#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkp s GLN 23 N 0.00 2.74 -0.05 3.69 -1.52 0.32 -4.97 119.66 119.87 2jkp s GLN 23 Ca 0.00 -0.64 0.05 0.00 -1.95 0.00 0.00 55.36 52.81 2jkp s GLN 23 Cb 0.00 -2.64 -0.00 0.00 -0.22 0.00 0.00 33.01 30.15 2jkp s GLN 23 CO 0.00 0.61 -0.19 0.15 -0.25 0.00 0.00 175.29 175.61 2jkp s LYS 24 N -1.60 2.00 0.00 2.91 3.01 -1.26 -1.29 119.74 123.51 2jkp s LYS 24 Ca 0.20 -0.68 0.05 0.00 -1.01 0.00 0.00 55.97 54.53 2jkp s LYS 24 Cb -0.11 -1.71 -0.01 0.00 -1.01 0.00 0.00 37.83 34.98 2jkp s LYS 24 CO 0.11 0.26 -0.15 -1.17 0.51 0.00 0.00 175.35 174.91 2jkp s LEU 25 N 0.03 2.06 0.14 3.17 2.96 -0.02 -4.99 118.68 122.02 2jkp s LEU 25 Ca -0.05 -0.32 0.06 0.00 -0.22 0.00 0.00 54.13 53.60 2jkp s LEU 25 Cb -0.12 -0.76 -0.04 0.00 0.50 0.00 0.00 46.19 45.77 2jkp s LEU 25 CO 0.03 0.16 -0.14 0.42 -1.32 0.00 0.00 176.35 175.50 2jkp s THR 26 N -0.47 1.36 0.63 3.68 -4.23 -1.26 -0.49 115.64 114.86 2jkp s THR 26 Ca 0.05 -1.82 -0.18 0.00 -1.18 0.00 0.00 61.69 58.56 2jkp s THR 26 Cb -0.06 -1.64 -0.02 0.00 1.34 0.00 0.00 72.50 72.12 2jkp s THR 26 CO -0.00 -0.48 1.22 -0.94 -0.54 0.00 0.00 174.62 173.88 2jkp s SER 27 N -2.65 4.93 0.40 3.99 1.04 0.89 -4.63 113.70 117.66 2jkp s SER 27 Ca 0.12 2.41 0.17 0.00 0.48 0.00 0.00 55.95 59.12 2jkp s SER 27 Cb -0.03 -2.60 1.06 0.00 0.10 0.00 0.00 66.02 64.55 2jkp s SER 27 CO 0.03 -1.77 1.80 -0.65 0.98 0.00 0.00 173.24 173.63 2jkp h PRO 28 N 0.61 0.43 -0.36 4.02 0.11 -1.88 0.22 132.00 135.14 2jkp h PRO 28 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2jkp h PRO 28 Cb 1.30 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2jkp h PRO 28 CO 0.54 0.28 0.00 -0.40 -0.21 0.00 0.00 178.00 178.21 2jkp n ASP 29 N -4.60 2.20 0.00 -2.05 5.75 -1.26 -4.93 116.55 111.66 2jkp n ASP 29 Ca 0.23 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 2jkp n ASP 29 Cb 0.79 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 2jkp n ASP 29 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2jkp n ASN 30 N 0.69 -2.99 0.14 -1.12 4.13 0.76 -4.82 115.26 112.05 2jkp n ASN 30 Ca 0.15 0.00 0.12 0.00 1.68 0.00 0.00 54.58 56.53 2jkp n ASN 30 Cb 0.37 -2.19 0.21 0.00 -1.54 0.00 0.00 39.78 36.63 2jkp n ASN 30 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 2jkp h ASN 31 N 0.00 0.00 -3.69 6.41 -0.26 -1.92 -3.46 115.58 112.67 2jkp h ASN 31 Ca 0.00 -0.04 -0.59 0.00 -0.56 0.00 0.00 56.30 55.12 2jkp h ASN 31 Cb 0.40 0.00 -0.32 0.00 -1.06 0.00 0.00 38.32 37.34 2jkp h ASN 31 CO 0.00 0.02 -0.84 -0.76 -1.06 0.00 0.00 177.43 174.78 2jkp s LEU 32 N -5.27 1.90 -0.05 1.61 1.02 -1.26 0.12 118.68 116.74 2jkp s LEU 32 Ca 0.07 -0.39 0.02 0.00 0.02 0.00 0.00 54.13 53.84 2jkp s LEU 32 Cb 0.09 -1.06 0.02 0.00 0.02 0.00 0.00 46.19 45.26 2jkp s LEU 32 CO 0.68 0.13 -0.08 -0.69 0.02 0.00 0.00 176.35 176.41 2jkp s VAL 33 N 0.23 0.78 -0.20 -1.59 1.01 -1.01 -0.08 120.40 119.55 2jkp s VAL 33 Ca -0.09 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 2jkp s VAL 33 Cb -0.14 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 2jkp s VAL 33 CO 0.04 0.28 0.01 -0.32 0.00 0.00 0.00 175.10 175.10 2jkp s MET 34 N 0.80 3.65 -0.12 2.72 1.75 0.35 -2.33 119.30 126.13 2jkp s MET 34 Ca -0.13 -0.50 0.00 0.00 -1.25 0.00 0.00 55.69 53.81 2jkp s MET 34 Cb -0.15 -3.09 -0.02 0.00 2.84 0.00 0.00 34.83 34.41 2jkp s MET 34 CO 0.02 0.04 -0.12 0.95 -0.65 0.00 0.00 175.02 175.26 2jkp s THR 35 N 0.93 3.18 -0.04 10.11 -4.23 -0.93 -0.84 115.64 123.82 2jkp s THR 35 Ca 0.01 -0.63 0.06 0.00 -1.18 0.00 0.00 61.69 59.96 2jkp s THR 35 Cb -0.14 -2.33 -0.02 0.00 1.34 0.00 0.00 72.50 71.35 2jkp s THR 35 CO 0.02 0.53 -0.23 0.12 -0.54 0.00 0.00 174.62 174.52 2jkp s PHE 36 N 0.13 2.44 -0.13 3.99 5.36 -0.41 -1.55 117.98 127.81 2jkp s PHE 36 Ca -0.06 -0.47 -0.22 0.00 -0.96 0.00 0.00 56.93 55.23 2jkp s PHE 36 Cb -0.15 -1.56 0.05 0.00 -0.34 0.00 0.00 43.02 41.02 2jkp s PHE 36 CO 0.04 -0.05 0.54 -1.14 -1.46 0.00 0.00 175.22 173.16 2jkp s GLN 37 N -0.49 0.76 0.11 10.12 2.00 -0.42 -0.52 119.66 131.22 2jkp s GLN 37 Ca 0.06 0.46 -0.14 0.00 -2.00 0.00 0.00 55.36 53.74 2jkp s GLN 37 Cb -0.11 0.36 -0.07 0.00 0.80 0.00 0.00 33.01 33.99 2jkp s GLN 37 CO 0.01 -0.16 0.50 0.14 -0.50 0.00 0.00 175.29 175.28 2jkp s VAL 38 N -0.41 4.91 0.00 1.34 -7.23 -1.26 -0.12 120.40 117.64 2jkp s VAL 38 Ca -0.05 0.79 0.00 0.00 -1.81 0.00 0.00 61.98 60.91 2jkp s VAL 38 Cb -0.03 -3.73 0.00 0.00 0.56 0.00 0.00 36.38 33.18 2jkp s VAL 38 CO 0.04 0.32 0.00 -0.90 -0.31 0.00 0.00 175.10 174.25 2jkp n ASP 39 N 1.03 0.00 0.09 4.85 5.68 0.31 -4.81 116.55 123.70 2jkp n ASP 39 Ca -0.07 -0.76 0.11 0.00 -0.50 0.00 0.00 54.79 53.56 2jkp n ASP 39 Cb 0.52 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 40.95 2jkp n ASP 39 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2jkp n SER 40 N -2.29 0.51 -1.07 -1.12 3.41 -1.26 -1.71 113.62 110.08 2jkp n SER 40 Ca 0.00 0.61 0.08 0.00 -0.26 0.00 0.00 58.87 59.29 2jkp n SER 40 Cb 0.00 -0.72 0.26 0.00 -0.26 0.00 0.00 64.21 63.49 2jkp n SER 40 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2jkp n LYS 41 N -2.04 3.23 -1.02 4.33 4.81 -1.26 -4.96 118.16 121.24 2jkp n LYS 41 Ca 0.03 -2.61 -0.01 0.00 -0.87 0.00 0.00 58.31 54.85 2jkp n LYS 41 Cb 0.26 -1.69 -0.00 0.00 0.02 0.00 0.00 35.03 33.62 2jkp n LYS 41 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jkp n GLY 42 N 0.41 0.45 3.64 3.14 0.00 -0.70 -0.91 105.19 111.22 2jkp n GLY 42 Ca 0.20 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 2jkp n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jkp s ALA 43 N -2.03 3.60 0.09 4.61 0.00 -1.26 -1.12 121.76 125.65 2jkp s ALA 43 Ca 0.00 -0.33 -0.31 0.00 0.00 0.00 0.00 51.96 51.32 2jkp s ALA 43 Cb 0.00 -3.06 -0.08 0.00 0.00 0.00 0.00 23.12 19.98 2jkp s ALA 43 CO 0.00 -0.75 1.56 -2.14 0.00 0.00 0.00 175.76 174.43 2jkp s PRO 44 N 2.37 4.23 0.01 0.00 0.02 -1.26 -0.53 135.00 139.84 2jkp s PRO 44 Ca 0.29 2.25 0.05 0.00 0.02 0.00 0.00 61.00 63.60 2jkp s PRO 44 Cb -0.16 -3.43 -0.02 0.00 0.02 0.00 0.00 34.50 30.92 2jkp s PRO 44 CO 0.09 -0.64 -0.14 0.99 -0.33 0.00 0.00 177.00 176.97 2jkp s THR 45 N 1.99 1.10 0.16 0.99 2.01 0.83 -0.81 115.64 121.92 2jkp s THR 45 Ca 0.70 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.94 2jkp s THR 45 Cb -0.39 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 2jkp s THR 45 CO 0.31 0.18 0.04 -0.72 -0.69 0.00 0.00 174.62 173.74 2jkp s TYR 46 N -0.55 1.09 0.19 4.92 -0.85 0.12 -1.31 117.35 120.97 2jkp s TYR 46 Ca 0.04 -1.14 -0.17 0.00 -0.52 0.00 0.00 57.07 55.27 2jkp s TYR 46 Cb -0.06 -0.61 0.03 0.00 0.38 0.00 0.00 41.96 41.69 2jkp s TYR 46 CO 0.00 -0.37 0.52 -1.83 -1.52 0.00 0.00 175.55 172.35 2jkp s GLU 47 N -3.99 1.37 -0.09 -3.49 -1.05 -0.60 -0.45 118.70 110.41 2jkp s GLU 47 Ca 0.26 -0.87 -0.05 0.00 -0.15 0.00 0.00 54.97 54.16 2jkp s GLU 47 Cb 0.07 0.52 0.04 0.00 -0.44 0.00 0.00 34.13 34.31 2jkp s GLU 47 CO 0.04 -0.58 0.21 -1.17 0.95 0.00 0.00 175.26 174.71 2jkp s LEU 48 N -2.87 0.75 0.12 1.83 2.96 0.42 -2.18 118.68 119.71 2jkp s LEU 48 Ca 0.09 0.44 0.06 0.00 -0.22 0.00 0.00 54.13 54.51 2jkp s LEU 48 Cb -0.01 0.65 -0.04 0.00 0.50 0.00 0.00 46.19 47.30 2jkp s LEU 48 CO -0.03 -0.13 -0.15 0.42 -1.32 0.00 0.00 176.35 175.14 2jkp s THR 49 N 0.84 1.40 -0.10 3.68 -4.23 -0.98 0.11 115.64 116.36 2jkp s THR 49 Ca -0.06 -1.70 -0.01 0.00 -1.18 0.00 0.00 61.69 58.75 2jkp s THR 49 Cb -0.07 -1.53 0.03 0.00 1.34 0.00 0.00 72.50 72.26 2jkp s THR 49 CO -0.05 -0.36 -0.04 -0.47 -0.54 0.00 0.00 174.62 173.15 2jkp s TYR 50 N -1.99 1.13 -1.60 3.99 5.04 0.18 -2.41 117.35 121.69 2jkp s TYR 50 Ca 0.09 -0.50 -0.13 0.00 -2.44 0.00 0.00 57.07 54.09 2jkp s TYR 50 Cb -0.06 -1.05 0.10 0.00 0.35 0.00 0.00 41.96 41.31 2jkp s TYR 50 CO 0.03 -0.44 0.69 1.63 -1.34 0.00 0.00 175.55 176.12 2jkp n LYS 51 N 5.03 -3.38 -1.10 4.97 5.02 0.31 -0.49 118.16 128.53 2jkp n LYS 51 Ca -0.10 0.40 -0.03 0.00 -2.02 0.00 0.00 58.31 56.55 2jkp n LYS 51 Cb 0.50 -4.94 -0.01 0.00 -0.02 0.00 0.00 35.03 30.55 2jkp n LYS 51 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2jkp n ASN 52 N -2.77 -4.05 -4.70 4.39 4.13 -1.26 -5.02 115.26 105.98 2jkp n ASN 52 Ca -0.05 0.08 -0.30 0.00 1.68 0.00 0.00 54.58 56.00 2jkp n ASN 52 Cb 0.55 -1.85 -0.08 0.00 -1.54 0.00 0.00 39.78 36.86 2jkp n ASN 52 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2jkp s LYS 53 N -1.58 2.59 -0.13 3.52 1.02 0.36 -5.08 119.74 120.43 2jkp s LYS 53 Ca 0.00 -0.82 -0.28 0.00 0.02 0.00 0.00 55.97 54.89 2jkp s LYS 53 Cb 0.00 -2.56 -0.01 0.00 -0.52 0.00 0.00 37.83 34.73 2jkp s LYS 53 CO 0.00 0.55 0.94 0.08 -0.92 0.00 0.00 175.35 176.00 2jkp s VAL 54 N -1.31 4.81 -0.24 3.17 1.01 -1.26 0.50 120.40 127.08 2jkp s VAL 54 Ca 0.26 1.89 -0.16 0.00 0.00 0.00 0.00 61.98 63.98 2jkp s VAL 54 Cb -0.12 -4.25 -0.10 0.00 0.00 0.00 0.00 36.38 31.91 2jkp s VAL 54 CO 0.18 0.01 -0.33 0.52 0.00 0.00 0.00 175.10 175.48 2jkp n VAL 55 N 4.64 1.52 -3.89 2.92 0.31 0.30 -4.71 118.33 119.42 2jkp n VAL 55 Ca 0.07 -0.17 -0.35 0.00 -0.01 0.00 0.00 64.34 63.88 2jkp n VAL 55 Cb 0.49 -2.07 -0.14 0.00 -0.91 0.00 0.00 33.84 31.21 2jkp n VAL 55 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2jkp s ILE 56 N -2.64 3.28 0.74 2.52 -1.09 -0.35 -4.27 121.20 119.38 2jkp s ILE 56 Ca -0.34 -0.85 -0.14 0.00 -2.23 0.00 0.00 60.65 57.08 2jkp s ILE 56 Cb 0.10 -2.65 0.04 0.00 -1.58 0.00 0.00 42.46 38.38 2jkp s ILE 56 CO 0.47 0.19 1.15 -0.54 -1.23 0.00 0.00 174.94 174.97 2jkp s LYS 57 N 1.40 2.22 -0.29 2.79 1.02 -0.31 -0.43 119.74 126.13 2jkp s LYS 57 Ca 0.02 1.52 -0.44 0.00 0.02 0.00 0.00 55.97 57.09 2jkp s LYS 57 Cb -0.16 -1.87 -0.20 0.00 -0.52 0.00 0.00 37.83 35.08 2jkp s LYS 57 CO -0.02 -1.72 1.42 -2.30 -0.92 0.00 0.00 175.35 171.80 2jkp n PRO 58 N -2.95 0.11 -3.94 -1.68 -0.02 -1.25 -4.24 135.00 121.02 2jkp n PRO 58 Ca 0.12 0.04 -0.13 0.00 -2.02 0.00 0.00 63.50 61.51 2jkp n PRO 58 Cb 0.51 -1.56 -0.14 0.00 -0.02 0.00 0.00 33.50 32.30 2jkp n PRO 58 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2jkp s SER 59 N 1.90 0.16 0.44 2.55 0.01 0.41 -4.81 113.70 114.36 2jkp s SER 59 Ca 0.99 -0.02 -0.02 0.00 1.31 0.00 0.00 55.95 58.21 2jkp s SER 59 Cb -1.38 -0.02 -0.02 0.00 0.21 0.00 0.00 66.02 64.81 2jkp s SER 59 CO 0.71 0.02 0.69 0.42 0.41 0.00 0.00 173.24 175.48 2jkp s THR 60 N -0.03 4.67 0.02 1.44 -4.23 -1.26 -0.70 115.64 115.55 2jkp s THR 60 Ca 0.01 -0.20 0.05 0.00 -1.18 0.00 0.00 61.69 60.36 2jkp s THR 60 Cb -0.01 -3.74 -0.02 0.00 1.34 0.00 0.00 72.50 70.07 2jkp s THR 60 CO -0.00 -0.60 -0.14 -0.76 -0.54 0.00 0.00 174.62 172.57 2jkp s LEU 61 N -4.57 2.13 0.00 4.79 1.43 0.01 -2.01 118.68 120.45 2jkp s LEU 61 Ca 0.45 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 2jkp s LEU 61 Cb -0.10 -0.65 0.00 0.00 0.03 0.00 0.00 46.19 45.47 2jkp s LEU 61 CO 0.40 0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.67 2jkp n GLY 62 N 2.15 2.27 3.27 -3.19 0.00 -1.21 -4.25 105.19 104.22 2jkp n GLY 62 Ca -0.17 -1.13 -0.16 0.00 0.00 0.00 0.00 46.02 44.56 2jkp n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jkp s LEU 63 N 0.00 2.50 -0.15 0.99 1.02 0.24 -0.82 118.68 122.47 2jkp s LEU 63 Ca 0.00 -0.96 -0.05 0.00 0.02 0.00 0.00 54.13 53.15 2jkp s LEU 63 Cb 0.00 -0.49 -0.03 0.00 0.02 0.00 0.00 46.19 45.69 2jkp s LEU 63 CO 0.00 -0.24 0.01 -0.70 0.02 0.00 0.00 176.35 175.44 2jkp s GLU 64 N -3.42 3.60 0.11 1.70 2.12 -0.14 -1.64 118.70 121.03 2jkp s GLU 64 Ca 0.16 -0.42 0.01 0.00 0.36 0.00 0.00 54.97 55.08 2jkp s GLU 64 Cb -0.00 -2.99 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 2jkp s GLU 64 CO 0.03 0.38 0.26 -0.51 -0.54 0.00 0.00 175.26 174.88 2jkp s LEU 65 N 0.01 4.34 0.40 2.70 1.43 -0.45 -0.17 118.68 126.94 2jkp s LEU 65 Ca 0.03 0.24 -0.27 0.00 -1.03 0.00 0.00 54.13 53.11 2jkp s LEU 65 Cb -0.13 -2.96 -0.09 0.00 0.03 0.00 0.00 46.19 43.04 2jkp s LEU 65 CO 0.02 0.10 1.38 -0.75 0.23 0.00 0.00 176.35 177.33 2jkp s LYS 66 N -2.89 3.98 0.28 1.70 2.20 0.83 -4.59 119.74 121.24 2jkp s LYS 66 Ca 0.35 2.34 -0.29 0.00 -0.36 0.00 0.00 55.97 58.01 2jkp s LYS 66 Cb -0.12 -2.83 -0.10 0.00 -1.51 0.00 0.00 37.83 33.28 2jkp s LYS 66 CO 0.28 -0.55 1.28 0.21 -0.36 0.00 0.00 175.35 176.21 2jkp s LYS 67 N -2.20 4.41 0.17 4.03 2.20 -1.26 -4.73 119.74 122.36 2jkp s LYS 67 Ca 0.56 2.09 -0.15 0.00 -0.36 0.00 0.00 55.97 58.12 2jkp s LYS 67 Cb -0.42 -3.13 0.05 0.00 -1.51 0.00 0.00 37.83 32.82 2jkp s LYS 67 CO 0.55 -0.15 1.82 0.93 -0.36 0.00 0.00 175.35 178.14 2jkp h GLU 68 N 4.18 0.67 0.00 4.03 5.08 -1.98 -3.52 114.58 123.04 2jkp h GLU 68 Ca -0.47 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2jkp h GLU 68 Cb 1.22 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2jkp h GLU 68 CO 0.70 0.47 0.00 -3.47 -1.00 0.00 0.00 179.01 175.71 2jkp n ASP 87 N -4.72 0.22 0.27 1.42 -0.08 -1.26 -5.23 116.55 107.18 2jkp n ASP 87 Ca 0.02 0.12 0.16 0.00 -1.51 0.00 0.00 54.79 53.59 2jkp n ASP 87 Cb 0.04 -0.00 0.68 0.00 2.34 0.00 0.00 41.12 44.18 2jkp n ASP 87 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2jkp h SER 88 N 0.00 0.00 0.53 1.67 4.64 -1.98 -2.81 113.55 115.60 2jkp h SER 88 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jkp h SER 88 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2jkp h SER 88 CO 0.00 0.03 0.00 0.11 -0.87 0.00 0.00 176.83 176.10 2jkp h LYS 89 N 0.00 0.00 0.00 4.77 1.57 -1.99 -1.44 116.57 119.48 2jkp h LYS 89 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jkp h LYS 89 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2jkp h LYS 89 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.13 2jkp n THR 90 N -2.77 0.82 -3.23 -0.16 -2.24 -1.06 -4.64 114.28 101.00 2jkp n THR 90 Ca -0.00 0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.55 2jkp n THR 90 Cb 0.18 -0.91 -0.08 0.00 -2.10 0.00 0.00 70.33 67.42 2jkp n THR 90 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2jkp s ASN 91 N -2.97 6.24 -0.23 3.42 3.84 -0.54 -1.34 114.94 123.35 2jkp s ASN 91 Ca 0.09 -0.66 0.14 0.00 0.21 0.00 0.00 52.86 52.63 2jkp s ASN 91 Cb 0.11 -2.26 0.46 0.00 -0.55 0.00 0.00 41.25 39.01 2jkp s ASN 91 CO 0.30 -0.71 1.18 -0.11 -2.79 0.00 0.00 177.10 174.97 2jkp n LEU 92 N 5.90 3.18 0.00 3.21 7.94 -0.65 -4.79 117.00 131.80 2jkp n LEU 92 Ca -0.06 -3.83 0.00 0.00 -1.11 0.00 0.00 56.01 51.01 2jkp n LEU 92 Cb 0.47 -0.15 0.00 0.00 0.53 0.00 0.00 43.42 44.27 2jkp n LEU 92 CO 0.50 1.51 -0.36 0.00 -1.11 0.00 0.00 177.39 177.93 2jkp n TYR 93 N -0.63 0.00 -2.74 1.96 0.18 -1.07 -0.59 117.16 114.27 2jkp n TYR 93 Ca 0.25 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.03 2jkp n TYR 93 Cb 0.89 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.85 2jkp n TYR 93 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 2jkp n ASP 94 N -1.30 0.00 -1.46 9.48 5.68 -1.26 -4.27 116.55 123.42 2jkp n ASP 94 Ca 0.00 -0.62 -0.15 0.00 -0.50 0.00 0.00 54.79 53.53 2jkp n ASP 94 Cb 0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 2jkp n ASP 94 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jkp n GLY 95 N 0.00 0.45 3.89 6.12 0.00 -0.09 -4.89 105.19 110.66 2jkp n GLY 95 Ca 0.00 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 2jkp n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jkp s PHE 96 N -2.66 3.45 0.02 1.61 0.08 -0.27 -4.07 117.98 116.13 2jkp s PHE 96 Ca 0.00 0.73 0.07 0.00 0.12 0.00 0.00 56.93 57.85 2jkp s PHE 96 Cb 0.00 -2.15 -0.02 0.00 -0.57 0.00 0.00 43.02 40.28 2jkp s PHE 96 CO 0.00 0.27 -0.21 -1.21 -0.10 0.00 0.00 175.22 173.97 2jkp s GLU 97 N -3.03 1.51 -0.41 0.44 2.02 0.22 -4.46 118.70 114.98 2jkp s GLU 97 Ca 0.45 -0.85 -0.28 0.00 0.02 0.00 0.00 54.97 54.31 2jkp s GLU 97 Cb -0.11 -1.55 0.00 0.00 0.10 0.00 0.00 34.13 32.57 2jkp s GLU 97 CO 0.25 0.41 1.54 0.08 0.02 0.00 0.00 175.26 177.56 2jkp s VAL 98 N -0.66 3.75 -0.08 2.63 1.01 -1.26 -0.84 120.40 124.95 2jkp s VAL 98 Ca 0.08 0.74 0.14 0.00 0.00 0.00 0.00 61.98 62.94 2jkp s VAL 98 Cb -0.08 -4.05 -0.15 0.00 0.00 0.00 0.00 36.38 32.09 2jkp s VAL 98 CO 0.01 -0.70 0.88 0.50 0.00 0.00 0.00 175.10 175.78 2jkp h LYS 99 N 11.52 0.00 0.00 2.72 3.64 -1.40 -3.48 116.57 129.57 2jkp h LYS 99 Ca -0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 2jkp h LYS 99 Cb 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2jkp h LYS 99 CO 1.08 0.44 0.00 -0.40 -2.27 0.00 0.00 179.45 178.30 2jkp n ASP 100 N -3.01 0.00 -4.31 4.20 5.75 -1.21 -5.01 116.55 112.95 2jkp n ASP 100 Ca -0.10 0.00 -0.16 0.00 -0.01 0.00 0.00 54.79 54.52 2jkp n ASP 100 Cb 0.91 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.89 2jkp n ASP 100 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2jkp s THR 101 N -2.00 0.64 -0.13 2.12 -4.23 -1.26 -0.90 115.64 109.88 2jkp s THR 101 Ca 0.00 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.36 2jkp s THR 101 Cb 0.00 -2.53 0.04 0.00 1.34 0.00 0.00 72.50 71.34 2jkp s THR 101 CO 0.00 -0.11 0.40 -1.10 -0.54 0.00 0.00 174.62 173.28 2jkp s GLN 102 N -3.99 0.53 0.29 3.99 -0.21 -0.37 -4.97 119.66 114.92 2jkp s GLN 102 Ca 0.35 0.42 0.08 0.00 0.02 0.00 0.00 55.36 56.23 2jkp s GLN 102 Cb 0.07 0.25 -0.06 0.00 1.00 0.00 0.00 33.01 34.28 2jkp s GLN 102 CO 0.12 -0.09 -0.09 0.95 -2.12 0.00 0.00 175.29 174.05 2jkp s THR 103 N -0.10 1.93 -0.07 -0.19 -4.23 -1.26 -0.54 115.64 111.17 2jkp s THR 103 Ca -0.03 -2.19 -0.31 0.00 -1.18 0.00 0.00 61.69 57.98 2jkp s THR 103 Cb -0.03 -2.46 0.12 0.00 1.34 0.00 0.00 72.50 71.47 2jkp s THR 103 CO 0.02 -0.31 1.03 0.00 -0.54 0.00 0.00 174.62 174.82 2jkp s ALA 104 N -2.83 -1.93 -0.02 3.99 0.00 -0.70 -4.99 121.76 115.28 2jkp s ALA 104 Ca 0.30 1.18 0.06 0.00 0.00 0.00 0.00 51.96 53.51 2jkp s ALA 104 Cb 0.02 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 2jkp s ALA 104 CO 0.13 -0.68 -0.21 0.99 0.00 0.00 0.00 175.76 175.99 2jkp s THR 105 N -2.83 1.68 -0.04 0.00 2.01 -1.26 -1.13 115.64 114.07 2jkp s THR 105 Ca 0.07 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.20 2jkp s THR 105 Cb -0.01 -1.40 0.00 0.00 0.01 0.00 0.00 72.50 71.11 2jkp s THR 105 CO -0.07 0.47 -0.11 0.12 -0.69 0.00 0.00 174.62 174.35 2jkp s PHE 106 N -0.40 1.18 -0.45 4.92 5.36 -0.82 -5.03 117.98 122.74 2jkp s PHE 106 Ca 0.06 -0.33 0.06 0.00 -0.96 0.00 0.00 56.93 55.76 2jkp s PHE 106 Cb -0.09 -0.84 0.18 0.00 -0.34 0.00 0.00 43.02 41.93 2jkp s PHE 106 CO -0.00 -0.14 0.58 0.34 -1.46 0.00 0.00 175.22 174.54 2jkp s ASP 107 N 0.25 -0.59 0.10 6.13 -1.08 -1.24 -1.67 116.67 118.58 2jkp s ASP 107 Ca -0.05 -1.64 0.02 0.00 -0.52 0.00 0.00 52.55 50.36 2jkp s ASP 107 Cb -0.10 1.35 -0.04 0.00 -1.46 0.00 0.00 42.92 42.66 2jkp s ASP 107 CO 0.01 -0.14 -0.08 -1.61 0.52 0.00 0.00 175.17 173.88 2jkp s GLU 108 N 1.12 0.83 0.27 4.34 0.41 -0.85 -4.98 118.70 119.85 2jkp s GLU 108 Ca 0.24 -1.26 0.10 0.00 -0.41 0.00 0.00 54.97 53.65 2jkp s GLU 108 Cb -0.03 -0.33 -0.04 0.00 -1.78 0.00 0.00 34.13 31.94 2jkp s GLU 108 CO -0.07 0.02 -0.05 0.95 -0.49 0.00 0.00 175.26 175.62 2jkp s THR 109 N -3.14 3.23 0.13 3.63 -4.23 -1.26 -0.21 115.64 113.79 2jkp s THR 109 Ca 0.09 -2.02 -0.11 0.00 -1.18 0.00 0.00 61.69 58.47 2jkp s THR 109 Cb 0.02 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 71.15 2jkp s THR 109 CO -0.03 -0.37 0.28 -1.66 -0.54 0.00 0.00 174.62 172.30 2jkp s TRP 110 N -2.35 0.17 -0.19 3.99 1.48 -0.31 -4.97 118.94 116.76 2jkp s TRP 110 Ca 0.31 -0.55 -0.01 0.00 -1.06 0.00 0.00 56.10 54.79 2jkp s TRP 110 Cb -0.06 0.03 0.01 0.00 -1.16 0.00 0.00 33.47 32.28 2jkp s TRP 110 CO 0.19 -0.67 -0.14 -0.65 -4.06 0.00 0.00 176.95 171.62 2jkp s GLN 111 N -3.90 3.14 0.67 3.25 -0.21 -1.26 -1.20 119.66 120.16 2jkp s GLN 111 Ca 0.10 -0.75 -0.16 0.00 0.02 0.00 0.00 55.36 54.57 2jkp s GLN 111 Cb 0.03 -2.73 0.01 0.00 1.00 0.00 0.00 33.01 31.32 2jkp s GLN 111 CO -0.06 -0.19 1.16 -1.25 -2.12 0.00 0.00 175.29 172.82 2jkp s PRO 112 N 1.33 2.60 0.23 2.91 0.04 -1.26 -4.94 135.00 135.91 2jkp s PRO 112 Ca 0.05 1.59 -0.02 0.00 0.04 0.00 0.00 61.00 62.65 2jkp s PRO 112 Cb -0.14 -1.91 0.24 0.00 0.04 0.00 0.00 34.50 32.74 2jkp s PRO 112 CO -0.09 -1.44 1.63 0.28 0.04 0.00 0.00 177.00 177.43 2jkp h VAL 113 N 0.07 1.28 -3.86 -0.36 2.07 -1.95 -3.44 116.25 110.06 2jkp h VAL 113 Ca -0.48 -1.42 -0.11 0.00 0.82 0.00 0.00 66.70 65.52 2jkp h VAL 113 Cb 1.27 1.38 -0.16 0.00 -1.52 0.00 0.00 31.29 32.26 2jkp h VAL 113 CO 0.53 0.46 -0.49 -1.66 0.02 0.00 0.00 177.57 176.43 2jkp s TRP 114 N -4.44 0.23 -2.68 1.57 1.48 -1.26 -5.03 118.94 108.81 2jkp s TRP 114 Ca -0.08 -0.61 0.00 0.00 -1.06 0.00 0.00 56.10 54.35 2jkp s TRP 114 Cb 0.13 -0.15 0.00 0.00 -1.16 0.00 0.00 33.47 32.29 2jkp s TRP 114 CO 0.82 -0.43 0.00 0.41 -4.06 0.00 0.00 176.95 173.69 2jkp n GLY 115 N 0.36 -0.94 0.14 3.67 0.00 -1.26 -5.00 105.19 102.16 2jkp n GLY 115 Ca -0.17 -0.96 0.09 0.00 0.00 0.00 0.00 46.02 44.99 2jkp n GLY 115 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jkp h GLU 116 N 0.00 0.00 -4.16 1.61 5.08 -1.97 -2.86 114.58 112.28 2jkp h GLU 116 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 2jkp h GLU 116 Cb 0.00 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.14 2jkp h GLU 116 CO 0.00 0.10 -0.35 -1.83 -1.00 0.00 0.00 179.01 175.93 2jkp s GLU 117 N -3.21 1.47 0.16 2.33 1.03 -1.23 -2.75 118.70 116.51 2jkp s GLU 117 Ca 0.02 -1.52 0.03 0.00 0.03 0.00 0.00 54.97 53.53 2jkp s GLU 117 Cb 0.08 0.38 -0.03 0.00 -0.80 0.00 0.00 34.13 33.76 2jkp s GLU 117 CO 0.75 -0.56 1.36 -0.22 -1.33 0.00 0.00 175.26 175.26 2jkp h LYS 118 N 2.37 0.16 -4.86 -4.83 3.64 -1.21 -3.45 116.57 108.40 2jkp h LYS 118 Ca -0.30 -0.19 -0.38 0.00 -1.27 0.00 0.00 60.65 58.51 2jkp h LYS 118 Cb 1.25 0.06 -0.25 0.00 -0.41 0.00 0.00 32.23 32.87 2jkp h LYS 118 CO 0.43 0.96 -0.77 -1.21 -2.27 0.00 0.00 179.45 176.59 2jkp s GLU 119 N -3.13 0.72 -0.03 1.90 2.02 -1.26 -4.03 118.70 114.88 2jkp s GLU 119 Ca -0.02 -0.58 0.05 0.00 0.02 0.00 0.00 54.97 54.44 2jkp s GLU 119 Cb 0.10 -0.66 -0.01 0.00 0.10 0.00 0.00 34.13 33.66 2jkp s GLU 119 CO 0.83 0.16 -0.17 0.42 0.02 0.00 0.00 175.26 176.52 2jkp s ILE 120 N -0.72 1.41 -0.23 -1.63 1.01 -0.34 -4.98 121.20 115.72 2jkp s ILE 120 Ca -0.01 -0.72 -0.11 0.00 0.00 0.00 0.00 60.65 59.81 2jkp s ILE 120 Cb -0.06 -1.20 -0.05 0.00 0.01 0.00 0.00 42.46 41.15 2jkp s ILE 120 CO 0.00 0.41 0.18 -0.60 0.00 0.00 0.00 174.94 174.93 2jkp s ARG 121 N -0.09 4.11 -0.59 2.79 3.52 -1.26 -1.16 118.95 126.28 2jkp s ARG 121 Ca -0.01 -0.22 -0.07 0.00 -0.13 0.00 0.00 55.73 55.31 2jkp s ARG 121 Cb -0.10 -3.51 0.15 0.00 -1.56 0.00 0.00 34.95 29.93 2jkp s ARG 121 CO 0.01 0.10 0.44 1.21 -0.81 0.00 0.00 175.30 176.26 2jkp s ASN 122 N 0.91 5.69 -0.27 -2.12 2.47 0.71 -4.96 114.94 117.36 2jkp s ASN 122 Ca 0.09 -2.40 -0.01 0.00 0.42 0.00 0.00 52.86 50.95 2jkp s ASN 122 Cb -0.13 -1.97 0.08 0.00 -1.45 0.00 0.00 41.25 37.78 2jkp s ASN 122 CO 0.03 -0.54 0.05 -2.28 -3.72 0.00 0.00 177.10 170.65 2jkp s HIS 123 N 0.61 1.77 0.04 0.43 2.46 -1.26 -2.00 115.29 117.34 2jkp s HIS 123 Ca 0.12 -1.59 -0.01 0.00 0.47 0.00 0.00 55.06 54.06 2jkp s HIS 123 Cb -0.21 -1.58 -0.03 0.00 -0.13 0.00 0.00 32.58 30.62 2jkp s HIS 123 CO -0.03 -0.80 -0.03 1.52 -2.47 0.00 0.00 174.74 172.93 2jkp s TYR 124 N 1.60 0.46 -0.15 3.88 -0.85 -0.67 -4.48 117.35 117.14 2jkp s TYR 124 Ca 0.04 -0.92 -0.08 0.00 -0.52 0.00 0.00 57.07 55.59 2jkp s TYR 124 Cb -0.18 -0.34 -0.04 0.00 0.38 0.00 0.00 41.96 41.78 2jkp s TYR 124 CO -0.17 -0.32 0.12 -0.80 -1.52 0.00 0.00 175.55 172.86 2jkp s ASN 125 N -2.54 6.19 -0.08 -0.18 0.01 -0.36 -1.94 114.94 116.05 2jkp s ASN 125 Ca 0.01 0.34 0.04 0.00 -0.71 0.00 0.00 52.86 52.54 2jkp s ASN 125 Cb 0.03 -2.03 -0.01 0.00 0.41 0.00 0.00 41.25 39.65 2jkp s ASN 125 CO -0.07 0.31 -0.21 -0.70 -1.51 0.00 0.00 177.10 174.92 2jkp s GLU 126 N -0.43 2.81 -0.15 -0.60 2.12 -0.29 -0.51 118.70 121.66 2jkp s GLU 126 Ca 0.11 -0.82 0.02 0.00 0.36 0.00 0.00 54.97 54.64 2jkp s GLU 126 Cb -0.12 -2.32 0.01 0.00 0.26 0.00 0.00 34.13 31.97 2jkp s GLU 126 CO 0.02 0.35 -0.21 -1.17 -0.54 0.00 0.00 175.26 173.70 2jkp s LEU 127 N -0.05 2.08 -0.21 2.70 2.96 -0.52 -1.73 118.68 123.92 2jkp s LEU 127 Ca -0.06 -0.61 -0.04 0.00 -0.22 0.00 0.00 54.13 53.21 2jkp s LEU 127 Cb -0.14 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 2jkp s LEU 127 CO 0.05 0.05 -0.03 0.00 -1.32 0.00 0.00 176.35 175.09 2jkp s ALA 128 N 1.01 2.88 -0.26 5.97 0.00 0.29 -0.91 121.76 130.74 2jkp s ALA 128 Ca -0.03 -1.09 -0.06 0.00 0.00 0.00 0.00 51.96 50.79 2jkp s ALA 128 Cb -0.15 -1.70 -0.00 0.00 0.00 0.00 0.00 23.12 21.27 2jkp s ALA 128 CO -0.06 -0.29 0.03 0.08 0.00 0.00 0.00 175.76 175.52 2jkp s VAL 129 N 1.24 3.79 -0.19 0.00 1.01 -0.71 -1.24 120.40 124.30 2jkp s VAL 129 Ca 0.03 -0.54 -0.27 0.00 0.00 0.00 0.00 61.98 61.20 2jkp s VAL 129 Cb -0.14 -2.85 -0.00 0.00 0.00 0.00 0.00 36.38 33.38 2jkp s VAL 129 CO -0.01 0.25 0.93 -0.89 0.00 0.00 0.00 175.10 175.38 2jkp s THR 130 N 1.51 4.79 -0.24 3.92 2.01 -0.08 -0.79 115.64 126.76 2jkp s THR 130 Ca 0.04 1.83 -0.03 0.00 0.31 0.00 0.00 61.69 63.84 2jkp s THR 130 Cb -0.16 -4.22 0.00 0.00 0.01 0.00 0.00 72.50 68.13 2jkp s THR 130 CO 0.01 -0.06 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.07 2jkp s LEU 131 N 2.60 3.06 -0.14 4.42 1.43 0.62 -0.94 118.68 129.74 2jkp s LEU 131 Ca 0.41 -0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 52.82 2jkp s LEU 131 Cb -0.16 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 2jkp s LEU 131 CO 0.10 -0.07 0.29 -0.47 0.23 0.00 0.00 176.35 176.43 2jkp s TYR 132 N 1.44 3.51 -0.61 0.29 5.04 -0.02 -1.03 117.35 125.97 2jkp s TYR 132 Ca 0.04 0.63 -0.02 0.00 -2.44 0.00 0.00 57.07 55.28 2jkp s TYR 132 Cb -0.15 -2.29 0.16 0.00 0.35 0.00 0.00 41.96 40.03 2jkp s TYR 132 CO -0.03 0.35 0.41 -1.14 -1.34 0.00 0.00 175.55 173.80 2jkp s GLN 133 N 0.10 2.49 0.30 4.97 0.74 -0.44 0.71 119.66 128.53 2jkp s GLN 133 Ca 0.17 -2.50 0.05 0.00 0.05 0.00 0.00 55.36 53.13 2jkp s GLN 133 Cb -0.13 -3.69 0.77 0.00 1.10 0.00 0.00 33.01 31.06 2jkp s GLN 133 CO 0.05 -1.16 1.69 -1.00 -0.55 0.00 0.00 175.29 174.32 2jkp h PRO 134 N 7.04 0.39 0.00 1.67 0.13 -1.84 0.06 132.00 139.44 2jkp h PRO 134 Ca -0.03 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 2jkp h PRO 134 Cb 0.95 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 2jkp h PRO 134 CO 0.71 0.26 -0.14 0.00 -0.23 0.00 0.00 178.00 178.60 2jkp h MET 135 N 0.40 0.00 -0.08 0.86 -0.00 -1.94 -2.36 114.93 111.81 2jkp h MET 135 Ca 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.28 2jkp h MET 135 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.73 2jkp h MET 135 CO -0.54 0.14 0.00 0.09 -0.00 0.00 0.00 176.91 176.60 2jkp n ASN 136 N -3.88 1.93 -4.07 -0.10 5.03 -0.83 -5.00 115.26 108.35 2jkp n ASN 136 Ca -0.02 -1.56 -0.33 0.00 0.87 0.00 0.00 54.58 53.54 2jkp n ASN 136 Cb 0.23 -0.05 -0.03 0.00 -1.02 0.00 0.00 39.78 38.91 2jkp n ASN 136 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2jkp n ASP 137 N 0.25 -1.47 -3.85 6.41 2.03 -0.05 -4.93 116.55 114.93 2jkp n ASP 137 Ca 0.05 -1.17 -0.09 0.00 0.52 0.00 0.00 54.79 54.09 2jkp n ASP 137 Cb 0.24 -2.28 -0.08 0.00 -0.72 0.00 0.00 41.12 38.28 2jkp n ASP 137 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jkp s ARG 138 N -6.97 0.77 0.11 -0.67 1.70 -1.18 -4.67 118.95 108.04 2jkp s ARG 138 Ca 0.18 -0.81 0.08 0.00 -0.47 0.00 0.00 55.73 54.71 2jkp s ARG 138 Cb -0.09 0.32 -0.04 0.00 -0.57 0.00 0.00 34.95 34.57 2jkp s ARG 138 CO 0.94 -0.23 -0.20 -1.12 -1.08 0.00 0.00 175.30 173.61 2jkp s SER 139 N -2.51 2.51 0.38 -2.89 0.01 -1.26 -1.33 113.70 108.62 2jkp s SER 139 Ca 0.00 -0.72 0.05 0.00 1.31 0.00 0.00 55.95 56.59 2jkp s SER 139 Cb 0.02 -0.14 -0.07 0.00 0.21 0.00 0.00 66.02 66.05 2jkp s SER 139 CO -0.08 0.03 0.03 0.27 0.41 0.00 0.00 173.24 173.90 2jkp s ILE 140 N -1.38 1.57 -0.06 1.44 -4.36 -0.20 -4.48 121.20 113.73 2jkp s ILE 140 Ca 0.08 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.51 2jkp s ILE 140 Cb -0.09 -2.85 0.00 0.00 1.25 0.00 0.00 42.46 40.78 2jkp s ILE 140 CO 0.05 0.00 -0.17 -0.69 0.24 0.00 0.00 174.94 174.37 2jkp s VAL 141 N -2.98 1.47 -0.24 8.37 1.01 -0.14 -0.27 120.40 127.61 2jkp s VAL 141 Ca 0.34 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 2jkp s VAL 141 Cb 0.09 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 2jkp s VAL 141 CO 0.16 0.43 0.02 -0.63 0.00 0.00 0.00 175.10 175.07 2jkp s ILE 142 N 0.27 3.80 -0.12 2.22 1.01 0.03 0.36 121.20 128.78 2jkp s ILE 142 Ca -0.10 -0.42 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 2jkp s ILE 142 Cb -0.14 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 2jkp s ILE 142 CO 0.04 0.33 0.05 -0.60 0.00 0.00 0.00 174.94 174.76 2jkp s ARG 143 N 1.53 3.34 -0.03 2.79 3.52 -0.19 -1.74 118.95 128.17 2jkp s ARG 143 Ca 0.05 -0.32 0.06 0.00 -0.13 0.00 0.00 55.73 55.39 2jkp s ARG 143 Cb -0.15 -2.99 -0.01 0.00 -1.56 0.00 0.00 34.95 30.23 2jkp s ARG 143 CO 0.00 0.62 -0.21 -0.06 -0.81 0.00 0.00 175.30 174.84 2jkp s PHE 144 N -0.62 1.95 -0.09 5.12 0.08 -0.09 -1.73 117.98 122.59 2jkp s PHE 144 Ca 0.11 -0.44 -0.01 0.00 0.12 0.00 0.00 56.93 56.70 2jkp s PHE 144 Cb -0.12 -1.27 0.03 0.00 -0.57 0.00 0.00 43.02 41.09 2jkp s PHE 144 CO 0.02 -0.09 -0.00 1.03 -0.10 0.00 0.00 175.22 176.08 2jkp s ARG 145 N -0.34 0.72 -0.19 0.44 0.52 0.57 -1.44 118.95 119.23 2jkp s ARG 145 Ca 0.04 -0.01 -0.03 0.00 -0.52 0.00 0.00 55.73 55.20 2jkp s ARG 145 Cb -0.10 -1.21 -0.01 0.00 0.52 0.00 0.00 34.95 34.15 2jkp s ARG 145 CO 0.00 -0.35 -0.05 -1.17 0.02 0.00 0.00 175.30 173.75 2jkp s LEU 146 N 1.93 2.94 0.38 2.53 2.96 0.34 -0.44 118.68 129.31 2jkp s LEU 146 Ca 0.04 -0.33 0.08 0.00 -0.22 0.00 0.00 54.13 53.70 2jkp s LEU 146 Cb -0.13 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.78 2jkp s LEU 146 CO -0.06 0.04 0.17 -0.36 -1.32 0.00 0.00 176.35 174.82 2jkp s PHE 147 N 1.09 2.65 0.38 5.38 0.08 -0.04 -1.23 117.98 126.29 2jkp s PHE 147 Ca 0.01 -0.49 0.38 0.00 0.12 0.00 0.00 56.93 56.96 2jkp s PHE 147 Cb -0.15 -1.81 2.00 0.00 -0.57 0.00 0.00 43.02 42.49 2jkp s PHE 147 CO -0.00 0.24 2.16 -0.91 -0.10 0.00 0.00 175.22 176.61 2jkp h ASN 148 N 1.47 0.00 -0.18 1.36 2.35 -1.96 -2.93 115.58 115.69 2jkp h ASN 148 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 2jkp h ASN 148 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 2jkp h ASN 148 CO 0.66 0.00 0.00 -0.90 -1.65 0.00 0.00 177.43 175.54 2jkp n ASP 149 N -2.89 2.93 0.00 5.81 5.75 -1.26 -4.94 116.55 121.95 2jkp n ASP 149 Ca -0.02 -2.53 0.00 0.00 -0.01 0.00 0.00 54.79 52.23 2jkp n ASP 149 Cb 0.10 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 2jkp n ASP 149 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jkp n GLY 150 N -0.39 -0.61 3.44 6.12 0.00 -1.11 -0.26 105.19 112.38 2jkp n GLY 150 Ca 0.13 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.17 2jkp n GLY 150 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jkp s LEU 151 N 0.00 2.57 -0.03 0.99 2.96 0.44 -0.86 118.68 124.74 2jkp s LEU 151 Ca 0.00 -0.29 0.07 0.00 -0.22 0.00 0.00 54.13 53.69 2jkp s LEU 151 Cb 0.00 -1.50 -0.02 0.00 0.50 0.00 0.00 46.19 45.17 2jkp s LEU 151 CO 0.00 0.33 -0.23 -0.83 -1.32 0.00 0.00 176.35 174.29 2jkp s GLY 152 N -0.81 1.33 0.04 7.98 0.00 0.41 -0.13 107.32 116.15 2jkp s GLY 152 Ca 0.12 -1.08 0.01 0.00 0.00 0.00 0.00 44.72 43.76 2jkp s GLY 152 CO 0.01 -0.86 -0.05 -0.11 0.00 0.00 0.00 173.10 172.09 2jkp s PHE 153 N -0.58 0.50 0.15 1.90 -0.12 -0.37 -0.31 117.98 119.15 2jkp s PHE 153 Ca 0.09 -0.66 -0.08 0.00 -0.05 0.00 0.00 56.93 56.23 2jkp s PHE 153 Cb -0.11 -0.32 -0.01 0.00 -0.63 0.00 0.00 43.02 41.95 2jkp s PHE 153 CO -0.00 -0.19 0.24 -0.98 -0.05 0.00 0.00 175.22 174.24 2jkp s ARG 154 N -2.20 1.08 -0.02 1.99 1.70 -0.71 -0.62 118.95 120.18 2jkp s ARG 154 Ca -0.07 -1.18 -0.01 0.00 -0.47 0.00 0.00 55.73 54.00 2jkp s ARG 154 Cb -0.05 0.36 -0.04 0.00 -0.57 0.00 0.00 34.95 34.65 2jkp s ARG 154 CO -0.03 -0.38 0.07 0.71 -1.08 0.00 0.00 175.30 174.60 2jkp s TYR 155 N -3.96 3.28 0.06 5.89 2.02 -1.26 -1.02 117.35 122.36 2jkp s TYR 155 Ca 0.16 0.22 0.06 0.00 -0.37 0.00 0.00 57.07 57.15 2jkp s TYR 155 Cb 0.04 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.82 2jkp s TYR 155 CO -0.01 0.55 -0.17 -1.21 -1.57 0.00 0.00 175.55 173.13 2jkp s GLU 156 N -1.59 1.10 -0.37 -0.62 2.02 0.16 -1.18 118.70 118.23 2jkp s GLU 156 Ca 0.21 -0.91 0.02 0.00 0.02 0.00 0.00 54.97 54.31 2jkp s GLU 156 Cb -0.12 -1.19 0.11 0.00 0.10 0.00 0.00 34.13 33.03 2jkp s GLU 156 CO 0.12 0.29 0.13 -0.06 0.02 0.00 0.00 175.26 175.76 2jkp s PHE 157 N -0.93 2.59 0.65 1.61 0.08 -0.14 -0.97 117.98 120.87 2jkp s PHE 157 Ca 0.04 -2.45 -0.17 0.00 0.12 0.00 0.00 56.93 54.48 2jkp s PHE 157 Cb -0.09 -2.27 -0.00 0.00 -0.57 0.00 0.00 43.02 40.09 2jkp s PHE 157 CO 0.02 -0.87 1.19 -2.14 -0.10 0.00 0.00 175.22 173.32 2jkp s PRO 158 N 0.92 2.65 0.12 0.24 0.02 -1.26 -2.38 135.00 135.31 2jkp s PRO 158 Ca 0.13 1.72 -0.30 0.00 0.02 0.00 0.00 61.00 62.56 2jkp s PRO 158 Cb -0.20 -1.90 -0.07 0.00 0.02 0.00 0.00 34.50 32.35 2jkp s PRO 158 CO -0.12 -1.43 1.23 -1.14 -0.33 0.00 0.00 177.00 175.21 2jkp s GLN 159 N -3.67 4.44 0.22 5.54 0.74 -1.26 -4.79 119.66 120.88 2jkp s GLN 159 Ca 0.74 1.86 -0.22 0.00 0.05 0.00 0.00 55.36 57.79 2jkp s GLN 159 Cb -0.28 -3.29 0.05 0.00 1.10 0.00 0.00 33.01 30.59 2jkp s GLN 159 CO 0.39 -0.22 0.88 1.14 -0.55 0.00 0.00 175.29 176.93 2jkp s GLN 160 N 0.56 1.51 0.30 1.67 -2.07 -1.23 -5.00 119.66 115.40 2jkp s GLN 160 Ca 0.57 -0.88 0.03 0.00 -1.82 0.00 0.00 55.36 53.27 2jkp s GLN 160 Cb -0.32 0.49 0.48 0.00 -1.09 0.00 0.00 33.01 32.57 2jkp s GLN 160 CO 0.32 -0.70 1.78 -0.22 -1.32 0.00 0.00 175.29 175.15 2jkp h LYS 161 N 2.00 0.50 -0.17 9.60 3.11 -1.94 -3.06 116.57 126.61 2jkp h LYS 161 Ca -0.24 -0.16 0.00 0.00 -2.81 0.00 0.00 60.65 57.44 2jkp h LYS 161 Cb 1.24 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.42 2jkp h LYS 161 CO 0.28 0.65 0.00 0.43 -2.81 0.00 0.00 179.45 178.00 2jkp n SER 162 N -4.18 2.77 -3.55 4.20 7.64 -1.26 -4.79 113.62 114.45 2jkp n SER 162 Ca 0.00 -1.82 -0.27 0.00 1.01 0.00 0.00 58.87 57.80 2jkp n SER 162 Cb 0.35 -0.10 -0.15 0.00 -1.01 0.00 0.00 64.21 63.29 2jkp n SER 162 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2jkp s LEU 163 N -1.36 0.41 0.00 -3.43 2.96 -1.15 -4.94 118.68 111.17 2jkp s LEU 163 Ca 0.25 -1.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.15 2jkp s LEU 163 Cb 0.16 -0.24 0.00 0.00 0.50 0.00 0.00 46.19 46.61 2jkp s LEU 163 CO 0.23 -0.40 0.00 0.59 -1.32 0.00 0.00 176.35 175.45 2jkp n ASN 164 N 5.27 0.00 -4.75 3.68 4.13 -1.26 -3.49 115.26 118.83 2jkp n ASN 164 Ca -0.06 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.83 2jkp n ASN 164 Cb 0.45 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.62 2jkp n ASN 164 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2jkp s TYR 165 N 0.00 3.55 0.16 3.10 2.02 -1.26 -1.16 117.35 123.76 2jkp s TYR 165 Ca 0.00 0.81 -0.13 0.00 -0.37 0.00 0.00 57.07 57.37 2jkp s TYR 165 Cb 0.00 -2.41 0.01 0.00 -0.40 0.00 0.00 41.96 39.16 2jkp s TYR 165 CO 0.00 0.31 0.38 -0.59 -1.57 0.00 0.00 175.55 174.08 2jkp s PHE 166 N 0.15 0.07 -0.06 2.71 -0.12 -0.99 -5.02 117.98 114.72 2jkp s PHE 166 Ca 0.22 -0.43 0.04 0.00 -0.05 0.00 0.00 56.93 56.71 2jkp s PHE 166 Cb -0.15 0.16 -0.00 0.00 -0.63 0.00 0.00 43.02 42.40 2jkp s PHE 166 CO 0.09 -0.76 -0.19 0.08 -0.05 0.00 0.00 175.22 174.38 2jkp s VAL 167 N -3.89 1.63 -0.06 -2.49 1.01 -1.26 -1.24 120.40 114.10 2jkp s VAL 167 Ca 0.10 -0.81 -0.26 0.00 0.00 0.00 0.00 61.98 61.01 2jkp s VAL 167 Cb 0.02 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 2jkp s VAL 167 CO -0.05 0.46 0.83 -0.63 0.00 0.00 0.00 175.10 175.72 2jkp s ILE 168 N 0.18 4.95 -0.15 2.22 1.01 0.04 -0.12 121.20 129.33 2jkp s ILE 168 Ca -0.09 1.71 -0.22 0.00 0.00 0.00 0.00 60.65 62.05 2jkp s ILE 168 Cb -0.14 -4.16 -0.24 0.00 0.01 0.00 0.00 42.46 37.93 2jkp s ILE 168 CO 0.04 0.18 0.51 0.50 0.00 0.00 0.00 174.94 176.17 2jkp h LYS 169 N 6.87 0.08 -2.33 2.79 3.64 -0.81 -1.04 116.57 125.78 2jkp h LYS 169 Ca -0.39 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 58.77 2jkp h LYS 169 Cb 1.19 0.05 -0.21 0.00 -0.41 0.00 0.00 32.23 32.86 2jkp h LYS 169 CO 0.77 1.07 0.01 -1.21 -2.27 0.00 0.00 179.45 177.82 2jkp s GLU 170 N -2.36 0.81 0.12 1.90 0.41 -0.96 -4.45 118.70 114.18 2jkp s GLU 170 Ca -0.23 0.45 -0.14 0.00 -0.41 0.00 0.00 54.97 54.65 2jkp s GLU 170 Cb 0.03 0.39 -0.07 0.00 -1.78 0.00 0.00 34.13 32.70 2jkp s GLU 170 CO 0.68 -0.19 0.51 -2.00 -0.49 0.00 0.00 175.26 173.78 2jkp s GLU 171 N -0.49 3.95 -0.54 1.61 2.12 -1.26 -0.96 118.70 123.12 2jkp s GLU 171 Ca -0.06 0.44 0.06 0.00 0.36 0.00 0.00 54.97 55.77 2jkp s GLU 171 Cb -0.03 -2.98 0.34 0.00 0.26 0.00 0.00 34.13 31.73 2jkp s GLU 171 CO 0.05 0.52 0.92 0.72 -0.54 0.00 0.00 175.26 176.92 2jkp n HIS 172 N 0.94 3.40 -2.98 5.30 8.25 -0.00 -4.57 115.22 125.56 2jkp n HIS 172 Ca -0.07 -3.94 -0.42 0.00 -0.26 0.00 0.00 57.72 53.04 2jkp n HIS 172 Cb 0.52 -0.47 -0.05 0.00 1.12 0.00 0.00 29.99 31.11 2jkp n HIS 172 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2jkp s SER 173 N -3.31 6.64 0.05 0.41 0.01 -1.26 -3.34 113.70 112.90 2jkp s SER 173 Ca 0.47 0.66 -0.04 0.00 1.31 0.00 0.00 55.95 58.35 2jkp s SER 173 Cb 0.30 -2.39 -0.05 0.00 0.21 0.00 0.00 66.02 64.09 2jkp s SER 173 CO -0.13 -0.57 0.27 -1.10 0.41 0.00 0.00 173.24 172.12 2jkp s GLN 174 N 2.86 3.54 -0.38 12.44 -0.21 -0.85 -0.05 119.66 137.01 2jkp s GLN 174 Ca 0.31 -0.18 0.01 0.00 0.02 0.00 0.00 55.36 55.51 2jkp s GLN 174 Cb -0.14 -3.02 0.12 0.00 1.00 0.00 0.00 33.01 30.97 2jkp s GLN 174 CO 0.12 0.60 0.18 -0.06 -2.12 0.00 0.00 175.29 174.01 2jkp s PHE 175 N -1.43 1.62 -0.36 0.91 0.08 0.14 -4.71 117.98 114.24 2jkp s PHE 175 Ca 0.32 -2.01 -0.29 0.00 0.12 0.00 0.00 56.93 55.07 2jkp s PHE 175 Cb -0.13 -1.63 0.02 0.00 -0.57 0.00 0.00 43.02 40.71 2jkp s PHE 175 CO 0.21 -0.82 1.08 0.20 -0.10 0.00 0.00 175.22 175.78 2jkp s GLY 176 N 0.96 1.50 0.35 4.36 0.00 -1.26 -1.32 107.32 111.90 2jkp s GLY 176 Ca 0.15 -0.18 -0.24 0.00 0.00 0.00 0.00 44.72 44.44 2jkp s GLY 176 CO -0.09 2.28 0.93 1.06 0.00 0.00 0.00 173.10 177.28 2jkp s MET 177 N 3.82 4.47 0.00 2.90 -1.94 0.02 -1.16 119.30 127.41 2jkp s MET 177 Ca 0.45 1.24 0.14 0.00 -1.71 0.00 0.00 55.69 55.81 2jkp s MET 177 Cb -0.11 -2.64 0.44 0.00 2.01 0.00 0.00 34.83 34.53 2jkp s MET 177 CO 0.19 0.20 1.34 -1.71 -0.01 0.00 0.00 175.02 175.04 2jkp n ASN 178 N 0.25 1.78 -2.72 3.03 5.15 -1.26 -4.77 115.26 116.72 2jkp n ASN 178 Ca 0.03 -1.91 0.00 0.00 -0.60 0.00 0.00 54.58 52.10 2jkp n ASN 178 Cb 0.51 -0.19 0.01 0.00 -0.53 0.00 0.00 39.78 39.58 2jkp n ASN 178 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jkp n GLY 179 N 1.07 0.57 3.00 8.20 0.00 -1.26 -5.04 105.19 111.73 2jkp n GLY 179 Ca 0.13 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 2jkp n GLY 179 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jkp n ASP 180 N -0.90 5.46 -4.61 1.61 2.03 -1.26 -4.96 116.55 113.91 2jkp n ASP 180 Ca 0.01 -3.16 -0.29 0.00 0.52 0.00 0.00 54.79 51.86 2jkp n ASP 180 Cb 0.39 -1.43 0.19 0.00 -0.72 0.00 0.00 41.12 39.54 2jkp n ASP 180 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2jkp s HIS 181 N -0.34 1.76 -0.02 -0.67 3.76 -1.26 -4.56 115.29 113.97 2jkp s HIS 181 Ca 0.37 1.34 -0.26 0.00 -0.15 0.00 0.00 55.06 56.37 2jkp s HIS 181 Cb 0.06 -3.18 -0.04 0.00 1.11 0.00 0.00 32.58 30.52 2jkp s HIS 181 CO 0.02 -3.11 0.79 0.42 -0.85 0.00 0.00 174.74 172.01 2jkp s ILE 182 N -2.68 4.91 0.09 0.60 1.01 -0.66 -1.49 121.20 122.97 2jkp s ILE 182 Ca 0.66 1.65 0.09 0.00 0.00 0.00 0.00 60.65 63.06 2jkp s ILE 182 Cb -0.22 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 2jkp s ILE 182 CO 0.60 0.26 -0.24 0.00 0.00 0.00 0.00 174.94 175.57 2jkp s ALA 183 N 0.59 2.04 -0.35 9.38 0.00 0.10 -0.66 121.76 132.86 2jkp s ALA 183 Ca 0.41 -1.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 2jkp s ALA 183 Cb -0.19 -0.34 0.08 0.00 0.00 0.00 0.00 23.12 22.67 2jkp s ALA 183 CO 0.22 0.45 0.10 -0.06 0.00 0.00 0.00 175.76 176.47 2jkp s PHE 184 N -1.00 3.48 0.04 0.00 0.08 0.12 -2.23 117.98 118.47 2jkp s PHE 184 Ca 0.10 -2.28 -0.00 0.00 0.12 0.00 0.00 56.93 54.87 2jkp s PHE 184 Cb -0.10 -2.73 -0.03 0.00 -0.57 0.00 0.00 43.02 39.59 2jkp s PHE 184 CO 0.04 -0.90 -0.04 1.67 -0.10 0.00 0.00 175.22 175.89 2jkp s TRP 185 N 1.15 0.46 0.20 0.36 1.48 -0.54 -3.47 118.94 118.59 2jkp s TRP 185 Ca 0.03 -0.80 0.11 0.00 -1.06 0.00 0.00 56.10 54.39 2jkp s TRP 185 Cb -0.21 -0.32 -0.04 0.00 -1.16 0.00 0.00 33.47 31.73 2jkp s TRP 185 CO -0.03 -0.26 -0.24 0.96 -4.06 0.00 0.00 176.95 173.32 2jkp s ILE 186 N -2.72 2.36 0.26 0.66 -4.36 -1.26 -0.89 121.20 115.25 2jkp s ILE 186 Ca -0.03 -2.07 -0.31 0.00 -0.26 0.00 0.00 60.65 57.98 2jkp s ILE 186 Cb -0.01 -2.14 -0.12 0.00 1.25 0.00 0.00 42.46 41.44 2jkp s ILE 186 CO -0.05 -0.15 1.65 -2.65 0.24 0.00 0.00 174.94 173.98 2jkp n PRO 187 N 0.17 2.75 -1.65 0.37 -0.02 -1.26 -1.85 135.00 133.51 2jkp n PRO 187 Ca -0.12 0.98 -0.46 0.00 -2.02 0.00 0.00 63.50 61.88 2jkp n PRO 187 Cb 0.56 -2.80 -0.04 0.00 -0.02 0.00 0.00 33.50 31.21 2jkp n PRO 187 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jkp n GLY 188 N 2.84 0.83 3.55 -1.23 0.00 0.12 -4.35 105.19 106.96 2jkp n GLY 188 Ca 0.11 0.59 -0.11 0.00 0.00 0.00 0.00 46.02 46.61 2jkp n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jkp s ASP 189 N 0.56 -0.74 0.00 1.61 -1.08 -1.26 -3.42 116.67 112.33 2jkp s ASP 189 Ca 0.75 1.33 0.29 0.00 -0.52 0.00 0.00 52.55 54.40 2jkp s ASP 189 Cb -0.71 1.29 1.18 0.00 -1.46 0.00 0.00 42.92 43.23 2jkp s ASP 189 CO 0.44 -0.23 1.86 -1.22 0.52 0.00 0.00 175.17 176.55 2jkp n TYR 190 N 3.34 0.00 0.00 -5.34 4.01 -0.55 -4.49 117.16 114.12 2jkp n TYR 190 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 2jkp n TYR 190 Cb 0.57 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 2jkp n TYR 190 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2jkp n ASP 191 N -1.30 2.09 -4.25 7.72 8.00 -1.26 -2.08 116.55 125.47 2jkp n ASP 191 Ca 0.10 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.45 2jkp n ASP 191 Cb 0.30 0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.31 2jkp n ASP 191 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2jkp s THR 192 N -1.52 1.27 -0.08 -3.53 -1.32 -1.24 -4.69 115.64 104.53 2jkp s THR 192 Ca 0.00 -1.93 0.12 0.00 -1.21 0.00 0.00 61.69 58.67 2jkp s THR 192 Cb 0.00 -1.72 0.19 0.00 -1.51 0.00 0.00 72.50 69.46 2jkp s THR 192 CO 0.00 -0.61 1.08 0.00 -2.21 0.00 0.00 174.62 172.89 2jkp n GLN 193 N 0.09 1.01 -1.50 7.08 3.00 -1.26 -4.69 117.38 121.11 2jkp n GLN 193 Ca -0.12 -2.03 -0.28 0.00 -0.01 0.00 0.00 57.00 54.56 2jkp n GLN 193 Cb 0.59 -1.17 -0.04 0.00 0.00 0.00 0.00 30.24 29.61 2jkp n GLN 193 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2jkp n GLU 194 N -0.96 2.41 -4.30 -1.09 1.02 -1.26 -3.20 120.64 113.26 2jkp n GLU 194 Ca 0.10 -2.42 -0.31 0.00 -0.02 0.00 0.00 57.16 54.50 2jkp n GLU 194 Cb 0.63 -2.13 -0.09 0.00 -0.02 0.00 0.00 31.44 29.82 2jkp n GLU 194 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2jkp s TYR 195 N -1.96 2.93 0.51 -0.32 2.02 -1.26 -4.66 117.35 114.61 2jkp s TYR 195 Ca 0.57 -0.03 -0.23 0.00 -0.37 0.00 0.00 57.07 57.02 2jkp s TYR 195 Cb 0.38 -1.58 -0.06 0.00 -0.40 0.00 0.00 41.96 40.30 2jkp s TYR 195 CO -0.23 0.43 1.31 -0.51 -1.57 0.00 0.00 175.55 174.98 2jkp s ASP 196 N -1.79 5.61 0.58 2.29 1.01 -1.26 -4.57 116.67 118.55 2jkp s ASP 196 Ca 0.20 2.65 -0.17 0.00 0.71 0.00 0.00 52.55 55.95 2jkp s ASP 196 Cb -0.11 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.15 2jkp s ASP 196 CO 0.12 -1.33 1.08 -0.31 0.21 0.00 0.00 175.17 174.94 2jkp s TYR 197 N -1.35 2.83 -0.04 4.23 1.51 -1.26 -4.80 117.35 118.47 2jkp s TYR 197 Ca 0.68 1.54 0.06 0.00 -1.01 0.00 0.00 57.07 58.34 2jkp s TYR 197 Cb -0.37 -3.12 -0.02 0.00 -0.11 0.00 0.00 41.96 38.33 2jkp s TYR 197 CO 0.45 -1.31 -0.21 0.99 -1.11 0.00 0.00 175.55 174.36 2jkp s THR 198 N -2.19 2.47 -0.24 -0.71 2.01 -0.07 -4.93 115.64 111.98 2jkp s THR 198 Ca 0.67 -0.94 -0.04 0.00 0.31 0.00 0.00 61.69 61.69 2jkp s THR 198 Cb -0.19 -1.92 0.00 0.00 0.01 0.00 0.00 72.50 70.41 2jkp s THR 198 CO 0.33 0.58 -0.02 -0.63 -0.69 0.00 0.00 174.62 174.19 2jkp s ILE 199 N -0.58 3.42 0.19 1.82 1.01 -1.26 -1.47 121.20 124.34 2jkp s ILE 199 Ca 0.08 -0.63 -0.24 0.00 0.00 0.00 0.00 60.65 59.87 2jkp s ILE 199 Cb -0.11 -2.64 0.05 0.00 0.01 0.00 0.00 42.46 39.78 2jkp s ILE 199 CO 0.00 0.30 0.90 -0.94 0.00 0.00 0.00 174.94 175.21 2jkp s SER 200 N 1.46 -0.18 0.61 3.58 1.04 -0.95 -5.00 113.70 114.26 2jkp s SER 200 Ca 0.04 -0.49 -0.16 0.00 0.48 0.00 0.00 55.95 55.82 2jkp s SER 200 Cb -0.15 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 2jkp s SER 200 CO -0.02 -1.04 1.09 -0.13 0.98 0.00 0.00 173.24 174.11 2jkp s ARG 201 N -3.35 3.13 0.19 4.02 1.81 -1.26 0.03 118.95 123.51 2jkp s ARG 201 Ca 0.13 1.33 -0.18 0.00 -1.72 0.00 0.00 55.73 55.29 2jkp s ARG 201 Cb -0.03 -2.00 0.15 0.00 -0.45 0.00 0.00 34.95 32.62 2jkp s ARG 201 CO 0.04 -0.98 1.62 -0.07 -0.68 0.00 0.00 175.30 175.23 2jkp h LEU 202 N 0.39 -0.76 -2.54 2.53 3.38 -1.51 0.19 115.31 117.00 2jkp h LEU 202 Ca -0.47 0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2jkp h LEU 202 Cb 1.24 0.42 -0.00 0.00 0.09 0.00 0.00 40.66 42.40 2jkp h LEU 202 CO 0.56 -0.24 0.15 0.77 0.09 0.00 0.00 178.44 179.77 2jkp h SER 203 N -0.10 0.00 0.37 -0.43 4.64 -1.89 -1.41 113.55 114.73 2jkp h SER 203 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2jkp h SER 203 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2jkp h SER 203 CO -0.58 0.00 -0.59 -0.62 -0.87 0.00 0.00 176.83 174.17 2jkp n GLU 204 N -3.03 0.07 0.04 4.77 1.02 0.66 -4.48 120.64 119.70 2jkp n GLU 204 Ca -0.02 -0.05 -0.11 0.00 -0.02 0.00 0.00 57.16 56.96 2jkp n GLU 204 Cb 0.21 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.09 2jkp n GLU 204 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2jkp h ILE 205 N 0.11 0.61 -0.68 -3.67 2.04 -1.12 -2.16 117.51 112.65 2jkp h ILE 205 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 2jkp h ILE 205 Cb 0.50 0.61 -0.09 0.00 -0.74 0.00 0.00 36.82 37.11 2jkp h ILE 205 CO 0.00 0.00 0.25 -0.09 0.00 0.00 0.00 178.15 178.31 2jkp h ARG 206 N -0.25 0.39 0.00 2.37 2.43 -1.78 0.20 114.38 117.74 2jkp h ARG 206 Ca 0.06 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2jkp h ARG 206 Cb 0.32 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2jkp h ARG 206 CO -0.17 0.26 -0.15 0.78 -1.51 0.00 0.00 179.97 179.18 2jkp h GLY 207 N 0.40 0.00 0.83 2.80 0.00 -1.76 -3.18 103.07 102.17 2jkp h GLY 207 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 2jkp h GLY 207 CO -0.37 0.00 -1.11 1.04 0.00 0.00 0.00 176.54 176.10 2jkp n LEU 208 N -3.23 0.70 -0.10 3.11 4.77 0.43 -4.60 117.00 118.08 2jkp n LEU 208 Ca 0.01 0.24 -0.06 0.00 -0.03 0.00 0.00 56.01 56.17 2jkp n LEU 208 Cb 0.45 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2jkp n LEU 208 CO 0.33 -0.13 0.73 -0.03 -1.33 0.00 0.00 177.39 176.95 2jkp h MET 209 N 0.00 -0.13 -0.72 3.23 4.05 -0.82 -1.30 114.93 119.24 2jkp h MET 209 Ca 0.00 0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.52 2jkp h MET 209 Cb 0.95 0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 31.71 2jkp h MET 209 CO 0.00 -0.09 0.36 -0.22 0.23 0.00 0.00 176.91 177.19 2jkp h LYS 210 N -0.14 0.58 -0.21 0.39 1.63 -1.81 -1.83 116.57 115.18 2jkp h LYS 210 Ca 0.18 -0.04 -0.16 0.00 -0.85 0.00 0.00 60.65 59.79 2jkp h LYS 210 Cb 0.41 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 2jkp h LYS 210 CO -0.44 0.39 -0.51 1.49 -3.45 0.00 0.00 179.45 176.93 2jkp h GLU 211 N 0.60 0.59 0.00 1.90 4.81 -1.75 -3.14 114.58 117.58 2jkp h GLU 211 Ca 0.36 -0.35 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 2jkp h GLU 211 Cb 0.38 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2jkp h GLU 211 CO -0.27 0.96 -0.17 0.00 -0.73 0.00 0.00 179.01 178.79 2jkp h ALA 212 N 0.98 1.29 -1.69 2.92 0.00 -0.44 -3.38 119.26 118.93 2jkp h ALA 212 Ca 0.02 -0.16 -0.65 0.00 0.00 0.00 0.00 54.91 54.12 2jkp h ALA 212 Cb 1.05 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.66 2jkp h ALA 212 CO 0.10 0.21 0.79 0.42 0.00 0.00 0.00 179.25 180.77 2jkp s ILE 213 N -4.15 4.42 0.47 0.00 1.01 -0.89 -4.80 121.20 117.26 2jkp s ILE 213 Ca -0.02 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.75 2jkp s ILE 213 Cb 0.13 -4.78 -0.00 0.00 0.01 0.00 0.00 42.46 37.82 2jkp s ILE 213 CO 0.62 -1.55 0.71 0.42 0.00 0.00 0.00 174.94 175.14 2jkp s THR 214 N 3.67 3.93 0.53 2.92 -4.23 -1.26 -5.00 115.64 116.20 2jkp s THR 214 Ca 0.30 -0.42 -0.21 0.00 -1.18 0.00 0.00 61.69 60.18 2jkp s THR 214 Cb -0.10 -3.47 -0.05 0.00 1.34 0.00 0.00 72.50 70.22 2jkp s THR 214 CO 0.00 -0.35 1.21 -2.84 -0.54 0.00 0.00 174.62 172.10 2jkp s PRO 215 N -4.62 3.34 -0.16 3.99 0.02 -1.26 -5.03 135.00 131.27 2jkp s PRO 215 Ca 0.49 1.86 -0.24 0.00 0.02 0.00 0.00 61.00 63.13 2jkp s PRO 215 Cb -0.10 -2.17 0.06 0.00 0.02 0.00 0.00 34.50 32.31 2jkp s PRO 215 CO 0.39 -0.92 0.62 1.21 -0.33 0.00 0.00 177.00 177.97 2jkp s ASN 216 N -1.41 -0.62 0.30 2.53 3.84 -1.26 -5.05 114.94 113.28 2jkp s ASN 216 Ca 0.71 0.99 0.24 0.00 0.21 0.00 0.00 52.86 55.01 2jkp s ASN 216 Cb -0.31 0.97 1.09 0.00 -0.55 0.00 0.00 41.25 42.45 2jkp s ASN 216 CO 0.36 -0.36 1.72 0.77 -2.79 0.00 0.00 177.10 176.79 2jkp h SER 217 N 4.35 0.00 -2.03 -4.21 4.64 -2.00 -3.36 113.55 110.93 2jkp h SER 217 Ca -0.28 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.79 2jkp h SER 217 Cb 1.16 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.93 2jkp h SER 217 CO 0.22 0.00 -0.57 -0.55 -0.87 0.00 0.00 176.83 175.06 2jkp s SER 218 N -4.26 0.98 -0.12 4.97 0.15 -1.26 -4.56 113.70 109.60 2jkp s SER 218 Ca 0.02 -0.36 -0.10 0.00 0.70 0.00 0.00 55.95 56.21 2jkp s SER 218 Cb 0.08 0.78 0.03 0.00 -1.71 0.00 0.00 66.02 65.21 2jkp s SER 218 CO 0.34 -0.35 0.31 0.00 1.20 0.00 0.00 173.24 174.74 2jkp s GLN 219 N 2.44 0.34 -0.38 5.44 -2.07 -1.26 -3.60 119.66 120.58 2jkp s GLN 219 Ca 0.10 0.48 0.01 0.00 -1.82 0.00 0.00 55.36 54.12 2jkp s GLN 219 Cb -0.14 0.12 0.14 0.00 -1.09 0.00 0.00 33.01 32.04 2jkp s GLN 219 CO -0.25 -0.07 0.24 0.99 -1.32 0.00 0.00 175.29 174.88 2jkp s THR 220 N 0.42 0.37 0.61 3.63 2.01 -1.26 -4.95 115.64 116.48 2jkp s THR 220 Ca -0.02 -2.01 -0.18 0.00 0.31 0.00 0.00 61.69 59.79 2jkp s THR 220 Cb -0.04 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 2jkp s THR 220 CO -0.02 -1.02 1.23 -2.84 -0.69 0.00 0.00 174.62 171.28 2jkp s PRO 221 N 0.78 2.84 0.00 4.92 0.02 -1.26 -1.49 135.00 140.81 2jkp s PRO 221 Ca 0.21 1.89 0.00 0.00 0.02 0.00 0.00 61.00 63.12 2jkp s PRO 221 Cb -0.18 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.43 2jkp s PRO 221 CO -0.03 -1.32 0.00 1.97 -0.33 0.00 0.00 177.00 177.29 2jkp n PHE 222 N -1.70 0.00 -3.65 6.54 1.16 -1.22 -4.93 117.46 113.67 2jkp n PHE 222 Ca 0.14 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.60 2jkp n PHE 222 Cb 0.49 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.29 2jkp n PHE 222 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2jkp s SER 223 N -1.09 -0.75 0.54 5.98 0.15 -1.26 -4.97 113.70 112.29 2jkp s SER 223 Ca 0.00 1.38 0.36 0.00 0.70 0.00 0.00 55.95 58.39 2jkp s SER 223 Cb 0.00 1.36 1.93 0.00 -1.71 0.00 0.00 66.02 67.60 2jkp s SER 223 CO 0.00 -0.23 2.10 -0.61 1.20 0.00 0.00 173.24 175.70 2jkp h GLN 224 N 5.57 0.00 -0.21 5.44 4.15 -1.98 -1.60 115.11 126.48 2jkp h GLN 224 Ca -0.29 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 58.94 2jkp h GLN 224 Cb 1.18 0.00 -0.21 0.00 0.21 0.00 0.00 27.48 28.66 2jkp h GLN 224 CO 0.10 0.00 -0.73 0.25 -1.93 0.00 0.00 178.83 176.53 2jkp n THR 225 N -2.78 1.81 -3.64 2.39 -2.24 -1.26 -4.08 114.28 104.47 2jkp n THR 225 Ca -0.02 -3.05 -0.37 0.00 -2.27 0.00 0.00 64.05 58.34 2jkp n THR 225 Cb 0.07 -0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.14 2jkp n THR 225 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jkp s GLY 226 N -3.15 2.32 0.17 3.38 0.00 -0.60 -0.99 107.32 108.45 2jkp s GLY 226 Ca 0.39 -0.41 0.04 0.00 0.00 0.00 0.00 44.72 44.75 2jkp s GLY 226 CO -0.06 0.00 -0.07 -1.34 0.00 0.00 0.00 173.10 171.63 2jkp s VAL 227 N -0.81 1.15 0.55 1.40 -7.23 0.38 0.16 120.40 116.00 2jkp s VAL 227 Ca 0.19 -2.06 -0.00 0.00 -1.81 0.00 0.00 61.98 58.30 2jkp s VAL 227 Cb -0.14 -2.00 0.03 0.00 0.56 0.00 0.00 36.38 34.83 2jkp s VAL 227 CO 0.08 -0.62 0.79 -1.10 -0.31 0.00 0.00 175.10 173.95 2jkp s GLN 228 N -3.78 2.62 0.23 4.82 -0.21 -0.77 -1.51 119.66 121.07 2jkp s GLN 228 Ca 0.20 -0.62 0.09 0.00 0.02 0.00 0.00 55.36 55.05 2jkp s GLN 228 Cb 0.03 -2.45 -0.04 0.00 1.00 0.00 0.00 33.01 31.55 2jkp s GLN 228 CO 0.03 -0.69 0.02 0.95 -2.12 0.00 0.00 175.29 173.48 2jkp s THR 229 N -2.79 3.64 0.24 -0.19 -4.23 -1.26 -3.94 115.64 107.10 2jkp s THR 229 Ca 0.56 -1.70 -0.30 0.00 -1.18 0.00 0.00 61.69 59.07 2jkp s THR 229 Cb -0.10 -2.91 -0.09 0.00 1.34 0.00 0.00 72.50 70.74 2jkp s THR 229 CO 0.39 -0.28 1.09 0.00 -0.54 0.00 0.00 174.62 175.28 2jkp s ALA 230 N -2.10 3.39 -0.16 3.99 0.00 -1.26 -4.94 121.76 120.67 2jkp s ALA 230 Ca 0.30 0.85 -0.09 0.00 0.00 0.00 0.00 51.96 53.02 2jkp s ALA 230 Cb -0.08 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 2jkp s ALA 230 CO 0.20 -0.16 0.15 -1.17 0.00 0.00 0.00 175.76 174.78 2jkp s LEU 231 N -0.99 4.28 -0.08 0.00 2.96 0.25 -4.63 118.68 120.48 2jkp s LEU 231 Ca 0.46 0.35 0.02 0.00 -0.22 0.00 0.00 54.13 54.75 2jkp s LEU 231 Cb -0.31 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.24 2jkp s LEU 231 CO 0.38 0.26 -0.13 -0.32 -1.32 0.00 0.00 176.35 175.22 2jkp s MET 232 N -0.16 2.83 0.02 1.98 -2.45 -1.23 -1.27 119.30 119.03 2jkp s MET 232 Ca 0.11 -0.67 0.01 0.00 -1.25 0.00 0.00 55.69 53.89 2jkp s MET 232 Cb -0.12 -2.49 -0.02 0.00 1.25 0.00 0.00 34.83 33.46 2jkp s MET 232 CO 0.01 0.49 -0.05 -1.64 1.05 0.00 0.00 175.02 174.88 2jkp s MET 233 N -0.38 0.38 -0.15 4.11 -1.94 0.70 0.14 119.30 122.17 2jkp s MET 233 Ca 0.04 -0.53 0.02 0.00 -1.71 0.00 0.00 55.69 53.51 2jkp s MET 233 Cb -0.12 -0.14 0.01 0.00 2.01 0.00 0.00 34.83 36.59 2jkp s MET 233 CO 0.02 0.02 -0.21 0.21 -0.01 0.00 0.00 175.02 175.05 2jkp s LYS 234 N -1.12 2.94 0.27 2.03 2.20 0.17 -0.65 119.74 125.58 2jkp s LYS 234 Ca -0.09 -0.82 -0.03 0.00 -0.36 0.00 0.00 55.97 54.67 2jkp s LYS 234 Cb -0.08 -2.42 -0.05 0.00 -1.51 0.00 0.00 37.83 33.78 2jkp s LYS 234 CO -0.00 -0.07 0.51 0.95 -0.36 0.00 0.00 175.35 176.38 2jkp s THR 235 N 0.96 5.09 0.45 3.43 -4.23 0.53 -1.66 115.64 120.21 2jkp s THR 235 Ca -0.04 -0.14 0.23 0.00 -1.18 0.00 0.00 61.69 60.56 2jkp s THR 235 Cb -0.15 -3.75 0.26 0.00 1.34 0.00 0.00 72.50 70.20 2jkp s THR 235 CO -0.05 -0.32 2.07 0.44 -0.54 0.00 0.00 174.62 176.23 2jkp h ASP 236 N 1.62 0.00 -0.72 3.99 3.32 -1.92 -1.82 116.42 120.88 2jkp h ASP 236 Ca -0.48 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.22 2jkp h ASP 236 Cb 1.19 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.53 2jkp h ASP 236 CO 0.66 0.12 0.45 -0.90 -1.72 0.00 0.00 179.24 177.85 2jkp n ASP 237 N -3.91 3.69 -0.43 6.45 5.68 -1.26 -4.89 116.55 121.87 2jkp n ASP 237 Ca -0.02 -3.17 -0.04 0.00 -0.50 0.00 0.00 54.79 51.06 2jkp n ASP 237 Cb 0.22 -0.75 -0.01 0.00 -1.14 0.00 0.00 41.12 39.44 2jkp n ASP 237 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jkp n GLY 238 N -0.62 0.31 3.82 6.12 0.00 -0.68 -5.05 105.19 109.08 2jkp n GLY 238 Ca 0.43 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 2jkp n GLY 238 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jkp s LEU 239 N -1.12 3.76 -0.11 0.99 1.43 -1.25 -4.52 118.68 117.87 2jkp s LEU 239 Ca 0.00 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 2jkp s LEU 239 Cb 0.00 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.93 2jkp s LEU 239 CO 0.00 -0.09 -0.17 -0.31 0.23 0.00 0.00 176.35 176.01 2jkp s TYR 240 N -2.17 2.11 -0.07 0.29 2.02 0.40 -0.35 117.35 119.59 2jkp s TYR 240 Ca 0.34 -0.96 0.03 0.00 -0.37 0.00 0.00 57.07 56.11 2jkp s TYR 240 Cb -0.07 -1.48 0.01 0.00 -0.40 0.00 0.00 41.96 40.01 2jkp s TYR 240 CO 0.25 -0.46 -0.14 0.42 -1.57 0.00 0.00 175.55 174.05 2jkp s ILE 241 N 0.80 1.24 -0.14 2.71 1.01 0.18 -1.96 121.20 125.04 2jkp s ILE 241 Ca -0.10 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.02 2jkp s ILE 241 Cb -0.16 -1.12 0.01 0.00 0.01 0.00 0.00 42.46 41.20 2jkp s ILE 241 CO 0.01 0.38 -0.20 0.21 0.00 0.00 0.00 174.94 175.33 2jkp s ASN 242 N 0.57 3.25 -0.11 3.58 3.84 0.50 -0.21 114.94 126.34 2jkp s ASN 242 Ca -0.14 -0.57 -0.01 0.00 0.21 0.00 0.00 52.86 52.35 2jkp s ASN 242 Cb -0.15 -1.47 -0.02 0.00 -0.55 0.00 0.00 41.25 39.05 2jkp s ASN 242 CO 0.04 0.08 -0.08 -0.76 -2.79 0.00 0.00 177.10 173.59 2jkp s LEU 243 N 0.82 3.06 0.00 3.21 1.43 -0.40 -0.84 118.68 125.96 2jkp s LEU 243 Ca -0.07 -0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 52.87 2jkp s LEU 243 Cb -0.15 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.38 2jkp s LEU 243 CO -0.01 0.24 0.06 1.57 0.23 0.00 0.00 176.35 178.44 2jkp n HIS 244 N 3.04 -0.82 -4.16 0.29 -0.00 -0.86 -0.58 115.22 112.14 2jkp n HIS 244 Ca -0.18 -0.10 -0.10 0.00 0.46 0.00 0.00 57.72 57.79 2jkp n HIS 244 Cb 0.53 0.05 -0.10 0.00 -0.12 0.00 0.00 29.99 30.35 2jkp n HIS 244 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 2jkp s GLU 245 N -2.00 1.03 0.00 1.57 -1.05 -1.26 -0.51 118.70 116.48 2jkp s GLU 245 Ca 0.01 -1.49 0.01 0.00 -0.15 0.00 0.00 54.97 53.35 2jkp s GLU 245 Cb -0.00 0.26 -0.00 0.00 -0.44 0.00 0.00 34.13 33.94 2jkp s GLU 245 CO 0.01 -0.31 -0.03 0.00 0.95 0.00 0.00 175.26 175.88 2jkp s ALA 246 N -4.08 0.21 -0.75 -0.84 0.00 -0.50 -4.75 121.76 111.05 2jkp s ALA 246 Ca 0.29 -0.19 -0.02 0.00 0.00 0.00 0.00 51.96 52.04 2jkp s ALA 246 Cb 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 2jkp s ALA 246 CO 0.05 0.02 0.64 0.00 0.00 0.00 0.00 175.76 176.47 2jkp n ALA 247 N 2.79 -1.57 -2.55 0.00 0.00 0.34 -1.50 120.51 118.02 2jkp n ALA 247 Ca -0.14 0.02 -0.41 0.00 0.00 0.00 0.00 53.44 52.91 2jkp n ALA 247 Cb 0.59 -2.84 -0.02 0.00 0.00 0.00 0.00 19.45 17.17 2jkp n ALA 247 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2jkp s LEU 248 N -4.75 3.57 -0.03 0.00 2.96 -1.26 -4.40 118.68 114.78 2jkp s LEU 248 Ca 0.14 -1.68 0.03 0.00 -0.22 0.00 0.00 54.13 52.40 2jkp s LEU 248 Cb -0.02 -2.57 0.00 0.00 0.50 0.00 0.00 46.19 44.10 2jkp s LEU 248 CO 0.49 -1.46 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.27 2jkp s VAL 249 N 4.95 0.79 -1.42 1.68 1.01 -1.26 -4.81 120.40 121.34 2jkp s VAL 249 Ca 0.49 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 2jkp s VAL 249 Cb 0.01 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.71 2jkp s VAL 249 CO -0.05 0.25 0.54 0.47 0.00 0.00 0.00 175.10 176.30 2jkp n ASP 250 N 3.27 -1.00 -3.61 3.32 8.00 -1.26 -4.79 116.55 120.48 2jkp n ASP 250 Ca -0.18 -0.96 -0.07 0.00 0.71 0.00 0.00 54.79 54.30 2jkp n ASP 250 Cb 0.54 -3.29 -0.02 0.00 -0.02 0.00 0.00 41.12 38.34 2jkp n ASP 250 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2jkp s TYR 251 N -3.81 -0.27 0.15 1.24 5.04 -1.26 -4.98 117.35 113.47 2jkp s TYR 251 Ca 0.11 0.04 -0.06 0.00 -2.44 0.00 0.00 57.07 54.71 2jkp s TYR 251 Cb -0.06 0.59 -0.06 0.00 0.35 0.00 0.00 41.96 42.79 2jkp s TYR 251 CO 0.87 -0.72 0.41 0.45 -1.34 0.00 0.00 175.55 175.22 2jkp s SER 252 N -2.72 6.54 0.13 4.32 0.15 -1.26 -4.10 113.70 116.76 2jkp s SER 252 Ca 0.08 0.68 -0.31 0.00 0.70 0.00 0.00 55.95 57.10 2jkp s SER 252 Cb -0.01 -2.13 -0.09 0.00 -1.71 0.00 0.00 66.02 62.07 2jkp s SER 252 CO -0.04 0.05 1.57 0.00 1.20 0.00 0.00 173.24 176.01 2jkp s MET 254 N 1.61 4.41 0.54 0.00 1.75 -1.26 -2.15 119.30 124.21 2jkp s MET 254 Ca 0.70 1.42 0.06 0.00 -1.25 0.00 0.00 55.69 56.62 2jkp s MET 254 Cb -0.41 -3.55 0.06 0.00 2.84 0.00 0.00 34.83 33.76 2jkp s MET 254 CO 0.31 -0.34 0.47 0.72 -0.65 0.00 0.00 175.02 175.53 2jkp n HIS 255 N 5.08 -0.88 -4.71 4.11 8.25 -0.18 -4.48 115.22 122.41 2jkp n HIS 255 Ca 0.09 -2.25 -0.25 0.00 -0.26 0.00 0.00 57.72 55.06 2jkp n HIS 255 Cb 0.48 -0.46 -0.16 0.00 1.12 0.00 0.00 29.99 30.98 2jkp n HIS 255 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2jkp s LEU 256 N 0.00 1.86 -0.17 2.41 1.43 -0.57 -0.89 118.68 122.75 2jkp s LEU 256 Ca 0.35 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.14 2jkp s LEU 256 Cb -0.03 -0.86 -0.00 0.00 0.03 0.00 0.00 46.19 45.33 2jkp s LEU 256 CO 0.23 0.12 -0.12 0.21 0.23 0.00 0.00 176.35 177.01 2jkp s ASN 257 N 0.15 3.87 -0.15 2.29 2.47 -0.45 -0.47 114.94 122.65 2jkp s ASN 257 Ca -0.05 -0.43 -0.18 0.00 0.42 0.00 0.00 52.86 52.62 2jkp s ASN 257 Cb -0.11 -1.62 -0.04 0.00 -1.45 0.00 0.00 41.25 38.03 2jkp s ASN 257 CO 0.02 0.06 0.47 -0.22 -3.72 0.00 0.00 177.10 173.71 2jkp s LEU 258 N 0.96 4.23 -0.53 3.21 2.96 -0.16 -0.68 118.68 128.68 2jkp s LEU 258 Ca -0.02 0.74 -0.22 0.00 -0.22 0.00 0.00 54.13 54.41 2jkp s LEU 258 Cb -0.15 -2.67 0.05 0.00 0.50 0.00 0.00 46.19 43.92 2jkp s LEU 258 CO -0.01 -0.05 0.79 -0.62 -1.32 0.00 0.00 176.35 175.14 2jkp s ASP 259 N 0.78 6.28 -0.00 3.68 2.15 0.13 -4.81 116.67 124.89 2jkp s ASP 259 Ca 0.24 -0.62 0.11 0.00 0.43 0.00 0.00 52.55 52.71 2jkp s ASP 259 Cb -0.15 -2.37 0.31 0.00 -0.30 0.00 0.00 42.92 40.41 2jkp s ASP 259 CO 0.10 -1.07 1.26 -0.90 -0.17 0.00 0.00 175.17 174.38 2jkp n ASP 260 N 6.86 1.90 -0.08 -0.34 5.75 -1.26 0.24 116.55 129.63 2jkp n ASP 260 Ca -0.02 -2.00 -0.09 0.00 -0.01 0.00 0.00 54.79 52.67 2jkp n ASP 260 Cb 0.46 -0.24 -0.05 0.00 -1.03 0.00 0.00 41.12 40.27 2jkp n ASP 260 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 2jkp h LYS 261 N 2.07 0.00 -0.01 0.11 6.56 -1.96 -3.41 116.57 119.93 2jkp h LYS 261 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2jkp h LYS 261 Cb 0.48 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.14 2jkp h LYS 261 CO 0.00 0.34 -0.20 0.09 -2.06 0.00 0.00 179.45 177.62 2jkp n ASN 262 N -4.60 1.23 -3.66 0.86 3.02 -1.20 -4.97 115.26 105.95 2jkp n ASN 262 Ca -0.12 -1.09 -0.24 0.00 -0.03 0.00 0.00 54.58 53.10 2jkp n ASN 262 Cb 0.34 0.12 0.06 0.00 -0.61 0.00 0.00 39.78 39.69 2jkp n ASN 262 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2jkp n MET 263 N -0.38 -6.61 -4.01 3.52 2.81 0.14 -4.73 117.12 107.87 2jkp n MET 263 Ca 0.14 0.74 -0.35 0.00 -1.81 0.00 0.00 57.70 56.42 2jkp n MET 263 Cb 0.36 -5.67 -0.13 0.00 -0.71 0.00 0.00 33.22 27.07 2jkp n MET 263 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2jkp s VAL 264 N -3.38 3.99 0.21 2.03 1.01 -0.93 -0.80 120.40 122.53 2jkp s VAL 264 Ca 0.39 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.91 2jkp s VAL 264 Cb -0.18 -2.82 -0.08 0.00 0.00 0.00 0.00 36.38 33.30 2jkp s VAL 264 CO 0.77 0.41 0.65 -0.36 0.00 0.00 0.00 175.10 176.57 2jkp s PHE 265 N 1.12 3.58 -0.00 5.22 0.08 -0.43 0.20 117.98 127.73 2jkp s PHE 265 Ca 0.03 1.21 0.00 0.00 0.12 0.00 0.00 56.93 58.30 2jkp s PHE 265 Cb -0.14 -2.49 -0.00 0.00 -0.57 0.00 0.00 43.02 39.81 2jkp s PHE 265 CO 0.02 0.33 -0.01 -2.00 -0.10 0.00 0.00 175.22 173.45 2jkp s GLU 266 N -2.18 0.13 0.15 0.44 2.12 0.15 0.28 118.70 119.79 2jkp s GLU 266 Ca 0.43 -0.05 -0.34 0.00 0.36 0.00 0.00 54.97 55.37 2jkp s GLU 266 Cb -0.15 -0.13 -0.16 0.00 0.26 0.00 0.00 34.13 33.95 2jkp s GLU 266 CO 0.20 0.03 1.26 -1.13 -0.54 0.00 0.00 175.26 175.07 2jkp n SER 267 N 3.09 1.66 -3.65 -1.70 3.41 0.92 -1.34 113.62 116.01 2jkp n SER 267 Ca -0.13 1.13 -0.28 0.00 -0.26 0.00 0.00 58.87 59.34 2jkp n SER 267 Cb 0.59 -1.24 -0.16 0.00 -0.26 0.00 0.00 64.21 63.14 2jkp n SER 267 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2jkp s TRP 268 N 0.07 0.70 0.72 7.33 -0.11 -0.06 -4.60 118.94 122.99 2jkp s TRP 268 Ca 0.76 -0.84 -0.06 0.00 1.22 0.00 0.00 56.10 57.18 2jkp s TRP 268 Cb -0.85 -1.00 0.08 0.00 -1.50 0.00 0.00 33.47 30.20 2jkp s TRP 268 CO 0.50 -0.68 1.03 -0.51 -4.62 0.00 0.00 176.95 172.66 2jkp s LEU 269 N 1.97 2.85 -0.20 5.86 1.43 -1.26 -1.01 118.68 128.32 2jkp s LEU 269 Ca 0.04 0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 53.30 2jkp s LEU 269 Cb -0.16 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 2jkp s LEU 269 CO -0.19 -1.72 0.39 -0.89 0.23 0.00 0.00 176.35 174.18 2jkp s THR 270 N -3.27 5.21 0.57 5.49 2.01 -0.91 -4.87 115.64 119.86 2jkp s THR 270 Ca 0.62 0.70 -0.15 0.00 0.31 0.00 0.00 61.69 63.17 2jkp s THR 270 Cb -0.09 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 2jkp s THR 270 CO 0.45 0.26 1.02 -2.16 -0.69 0.00 0.00 174.62 173.51 2jkp s PRO 271 N 1.22 3.60 0.22 4.92 0.04 -1.26 -4.61 135.00 139.13 2jkp s PRO 271 Ca 0.19 1.00 -0.03 0.00 0.04 0.00 0.00 61.00 62.20 2jkp s PRO 271 Cb -0.15 -2.08 0.05 0.00 0.04 0.00 0.00 34.50 32.36 2jkp s PRO 271 CO 0.08 -0.56 0.29 -0.40 0.04 0.00 0.00 177.00 176.45 2jkp n ASP 272 N -2.04 0.07 0.31 6.66 5.68 0.17 -4.50 116.55 122.89 2jkp n ASP 272 Ca 0.07 -1.14 0.17 0.00 -0.50 0.00 0.00 54.79 53.40 2jkp n ASP 272 Cb 0.54 -0.22 1.00 0.00 -1.14 0.00 0.00 41.12 41.30 2jkp n ASP 272 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jkp h ALA 273 N -1.70 1.34 -0.59 2.12 0.00 -1.89 -0.78 119.26 117.76 2jkp h ALA 273 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2jkp h ALA 273 Cb 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2jkp h ALA 273 CO 0.07 0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.96 2jkp n LYS 274 N -3.59 2.64 -0.68 0.00 5.02 -1.26 -4.92 118.16 115.37 2jkp n LYS 274 Ca -0.03 -2.50 0.00 0.00 -2.02 0.00 0.00 58.31 53.76 2jkp n LYS 274 Cb 0.09 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 2jkp n LYS 274 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jkp n GLY 275 N 1.56 0.82 3.90 0.72 0.00 -0.30 -5.07 105.19 106.83 2jkp n GLY 275 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 2jkp n GLY 275 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jkp s ASP 276 N -2.89 5.77 -0.17 1.61 1.01 -1.26 -4.63 116.67 116.11 2jkp s ASP 276 Ca 0.00 0.91 0.17 0.00 0.71 0.00 0.00 52.55 54.34 2jkp s ASP 276 Cb 0.00 -1.93 0.45 0.00 1.01 0.00 0.00 42.92 42.44 2jkp s ASP 276 CO 0.00 -1.00 1.18 0.29 0.21 0.00 0.00 175.17 175.85 2jkp n LYS 277 N -2.61 1.50 0.00 8.23 5.02 -0.40 0.41 118.16 130.31 2jkp n LYS 277 Ca 0.04 -3.10 0.00 0.00 -2.02 0.00 0.00 58.31 53.23 2jkp n LYS 277 Cb 0.57 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 2jkp n LYS 277 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jkp n GLY 278 N -0.43 3.67 3.54 0.72 0.00 -1.23 -4.57 105.19 106.88 2jkp n GLY 278 Ca 0.17 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 2jkp n GLY 278 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jkp s TYR 279 N 0.00 3.20 0.14 1.61 1.51 -1.26 -0.78 117.35 121.77 2jkp s TYR 279 Ca 0.00 -0.02 0.08 0.00 -1.01 0.00 0.00 57.07 56.11 2jkp s TYR 279 Cb 0.00 -2.71 -0.04 0.00 -0.11 0.00 0.00 41.96 39.10 2jkp s TYR 279 CO 0.00 -0.46 -0.08 -1.64 -1.11 0.00 0.00 175.55 172.26 2jkp s MET 280 N 2.06 2.15 -0.09 -0.62 -1.94 -0.37 -4.99 119.30 115.49 2jkp s MET 280 Ca 0.12 -1.11 -0.04 0.00 -1.71 0.00 0.00 55.69 52.96 2jkp s MET 280 Cb -0.16 -2.27 0.05 0.00 2.01 0.00 0.00 34.83 34.46 2jkp s MET 280 CO 0.12 0.48 0.19 -1.14 -0.01 0.00 0.00 175.02 174.65 2jkp s GLN 281 N -2.50 0.07 0.51 2.03 0.74 -1.26 -2.36 119.66 116.90 2jkp s GLN 281 Ca 0.23 0.59 -0.19 0.00 0.05 0.00 0.00 55.36 56.04 2jkp s GLN 281 Cb -0.10 -0.20 -0.08 0.00 1.10 0.00 0.00 33.01 33.73 2jkp s GLN 281 CO 0.15 -0.28 1.02 0.95 -0.55 0.00 0.00 175.29 176.58 2jkp s THR 282 N 2.16 4.02 0.24 -0.34 -4.23 -0.31 -3.87 115.64 113.32 2jkp s THR 282 Ca 0.01 1.13 -0.28 0.00 -1.18 0.00 0.00 61.69 61.37 2jkp s THR 282 Cb -0.12 -3.50 -0.09 0.00 1.34 0.00 0.00 72.50 70.13 2jkp s THR 282 CO -0.07 -0.39 0.91 -2.16 -0.54 0.00 0.00 174.62 172.37 2jkp s PRO 283 N -3.57 4.75 0.17 3.99 0.04 -1.26 -4.76 135.00 134.36 2jkp s PRO 283 Ca 0.64 1.39 -0.15 0.00 0.04 0.00 0.00 61.00 62.93 2jkp s PRO 283 Cb -0.14 -3.18 0.02 0.00 0.04 0.00 0.00 34.50 31.24 2jkp s PRO 283 CO 0.25 0.48 0.43 0.00 0.04 0.00 0.00 177.00 178.20 2jkp s ASN 285 N -2.88 1.93 0.84 0.00 0.01 -1.26 -0.97 114.94 112.61 2jkp s ASN 285 Ca 0.10 -0.60 -0.11 0.00 -0.71 0.00 0.00 52.86 51.54 2jkp s ASN 285 Cb 0.01 -0.09 0.09 0.00 0.41 0.00 0.00 41.25 41.67 2jkp s ASN 285 CO -0.04 -0.01 1.09 0.42 -1.51 0.00 0.00 177.10 177.05 2jkp s THR 286 N -1.13 2.96 1.00 1.60 -4.23 -0.32 -4.99 115.64 110.53 2jkp s THR 286 Ca 0.01 0.31 -0.12 0.00 -1.18 0.00 0.00 61.69 60.71 2jkp s THR 286 Cb -0.09 -2.87 0.19 0.00 1.34 0.00 0.00 72.50 71.06 2jkp s THR 286 CO 0.03 -0.41 1.08 -2.84 -0.54 0.00 0.00 174.62 171.94 2jkp s PRO 287 N -4.99 0.39 0.54 3.99 0.02 -1.26 -4.62 135.00 129.08 2jkp s PRO 287 Ca 0.62 0.68 -0.18 0.00 0.02 0.00 0.00 61.00 62.14 2jkp s PRO 287 Cb -0.17 -1.72 -0.06 0.00 0.02 0.00 0.00 34.50 32.57 2jkp s PRO 287 CO 0.56 -2.80 1.05 -1.58 -0.33 0.00 0.00 177.00 173.90 2jkp s TRP 288 N -2.86 2.99 -0.08 6.54 0.52 -0.56 -4.63 118.94 120.87 2jkp s TRP 288 Ca 0.65 1.54 0.04 0.00 0.02 0.00 0.00 56.10 58.36 2jkp s TRP 288 Cb -0.20 -3.04 -0.01 0.00 -1.15 0.00 0.00 33.47 29.07 2jkp s TRP 288 CO 0.59 -0.98 -0.21 1.03 0.02 0.00 0.00 176.95 177.40 2jkp s ARG 289 N -3.65 2.77 -0.05 4.98 3.00 0.21 -1.40 118.95 124.81 2jkp s ARG 289 Ca 0.66 -0.82 0.05 0.00 0.00 0.00 0.00 55.73 55.61 2jkp s ARG 289 Cb -0.16 -2.31 -0.01 0.00 0.00 0.00 0.00 34.95 32.47 2jkp s ARG 289 CO 0.28 0.37 -0.20 0.95 0.00 0.00 0.00 175.30 176.70 2jkp s THR 290 N -0.10 1.67 -0.30 0.02 -4.23 0.33 -1.23 115.64 111.79 2jkp s THR 290 Ca -0.04 -0.85 -0.01 0.00 -1.18 0.00 0.00 61.69 59.60 2jkp s THR 290 Cb -0.14 -1.42 0.06 0.00 1.34 0.00 0.00 72.50 72.33 2jkp s THR 290 CO 0.04 0.47 0.00 -0.63 -0.54 0.00 0.00 174.62 173.97 2jkp s ILE 291 N -0.06 2.90 -0.20 2.99 1.09 0.82 -2.02 121.20 126.71 2jkp s ILE 291 Ca -0.03 -1.49 -0.09 0.00 -1.10 0.00 0.00 60.65 57.94 2jkp s ILE 291 Cb -0.12 -2.71 -0.04 0.00 -1.06 0.00 0.00 42.46 38.53 2jkp s ILE 291 CO 0.03 -0.16 0.10 -0.63 -0.10 0.00 0.00 174.94 174.17 2jkp s ILE 292 N 1.22 4.98 -0.04 2.92 1.01 -0.02 -0.42 121.20 130.85 2jkp s ILE 292 Ca -0.04 0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.60 2jkp s ILE 292 Cb -0.20 -3.28 0.01 0.00 0.01 0.00 0.00 42.46 39.00 2jkp s ILE 292 CO -0.02 0.42 0.13 0.54 0.00 0.00 0.00 174.94 176.01 2jkp s VAL 293 N 0.61 0.02 0.10 2.92 0.11 0.64 -0.37 120.40 124.43 2jkp s VAL 293 Ca 0.05 -0.14 -0.26 0.00 -2.93 0.00 0.00 61.98 58.70 2jkp s VAL 293 Cb -0.13 -0.23 0.08 0.00 -1.53 0.00 0.00 36.38 34.57 2jkp s VAL 293 CO 0.01 -0.08 0.81 -0.55 -3.33 0.00 0.00 175.10 171.96 2jkp s SER 294 N -0.21 -0.37 0.00 3.54 0.15 -0.83 -4.46 113.70 111.52 2jkp s SER 294 Ca -0.03 -0.15 0.27 0.00 0.70 0.00 0.00 55.95 56.74 2jkp s SER 294 Cb -0.02 0.50 0.84 0.00 -1.71 0.00 0.00 66.02 65.62 2jkp s SER 294 CO 0.00 -0.85 1.62 -0.90 1.20 0.00 0.00 173.24 174.31 2jkp n ASP 295 N -0.35 1.01 -4.07 5.45 5.68 -1.26 -0.45 116.55 122.56 2jkp n ASP 295 Ca -0.10 -0.92 -0.32 0.00 -0.50 0.00 0.00 54.79 52.96 2jkp n ASP 295 Cb 0.62 0.10 -0.15 0.00 -1.14 0.00 0.00 41.12 40.55 2jkp n ASP 295 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2jkp s ASP 296 N -2.45 4.23 0.36 -1.12 -1.08 -1.26 -4.82 116.67 110.53 2jkp s ASP 296 Ca 0.26 -1.28 0.16 0.00 -0.52 0.00 0.00 52.55 51.17 2jkp s ASP 296 Cb 0.19 -1.51 1.09 0.00 -1.46 0.00 0.00 42.92 41.23 2jkp s ASP 296 CO 0.50 -0.17 1.70 0.00 0.52 0.00 0.00 175.17 177.71 2jkp h ALA 297 N 7.81 2.07 -0.57 3.66 0.00 -1.85 0.13 119.26 130.50 2jkp h ALA 297 Ca -0.22 0.14 0.17 0.00 0.00 0.00 0.00 54.91 54.99 2jkp h ALA 297 Cb 1.06 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2jkp h ALA 297 CO 0.48 -0.61 0.42 0.00 0.00 0.00 0.00 179.25 179.54 2jkp h ARG 298 N 0.37 0.00 0.00 0.00 3.08 -1.94 -1.22 114.38 114.67 2jkp h ARG 298 Ca 0.69 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.74 2jkp h ARG 298 Cb 1.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.69 2jkp h ARG 298 CO -0.48 0.00 0.00 -0.91 -1.07 0.00 0.00 179.97 177.51 2jkp h ASN 299 N 0.00 0.00 -0.27 7.04 2.35 -1.15 -2.07 115.58 121.48 2jkp h ASN 299 Ca 0.27 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.95 2jkp h ASN 299 Cb 1.11 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.47 2jkp h ASN 299 CO -0.00 0.00 -0.11 0.40 -1.65 0.00 0.00 177.43 176.06 2jkp h ILE 300 N 0.00 1.29 -0.24 2.81 1.08 -1.30 -2.26 117.51 118.89 2jkp h ILE 300 Ca 0.00 -1.19 -0.04 0.00 -0.39 0.00 0.00 64.86 63.24 2jkp h ILE 300 Cb 0.65 1.49 -0.01 0.00 -3.07 0.00 0.00 36.82 35.88 2jkp h ILE 300 CO 0.00 0.37 -0.04 -0.07 -0.69 0.00 0.00 178.15 177.73 2jkp h LEU 301 N 0.30 0.35 0.00 1.44 3.38 -1.54 -2.91 115.31 116.33 2jkp h LEU 301 Ca 0.06 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jkp h LEU 301 Cb 0.62 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2jkp h LEU 301 CO 0.04 0.44 -0.01 0.00 0.09 0.00 0.00 178.44 179.00 2jkp h ALA 302 N 1.61 1.00 -2.89 1.53 0.00 -1.22 -3.46 119.26 115.83 2jkp h ALA 302 Ca 0.08 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.45 2jkp h ALA 302 Cb 0.30 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.19 2jkp h ALA 302 CO 0.01 0.00 0.82 0.45 0.00 0.00 0.00 179.25 180.54 2jkp s SER 303 N -5.43 6.35 -0.16 0.00 0.15 -0.87 -4.91 113.70 108.84 2jkp s SER 303 Ca 0.09 3.01 0.14 0.00 0.70 0.00 0.00 55.95 59.89 2jkp s SER 303 Cb 0.08 -2.65 0.36 0.00 -1.71 0.00 0.00 66.02 62.10 2jkp s SER 303 CO 0.64 -0.89 1.18 0.54 1.20 0.00 0.00 173.24 175.91 2jkp n ARG 304 N 1.16 1.32 -0.14 5.44 5.12 -1.26 -4.78 116.66 123.52 2jkp n ARG 304 Ca 0.04 -2.89 -0.05 0.00 -1.93 0.00 0.00 57.85 53.02 2jkp n ARG 304 Cb 0.38 -1.44 0.04 0.00 -1.16 0.00 0.00 32.46 30.29 2jkp n ARG 304 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 2jkp h ILE 305 N 1.26 0.93 0.04 0.55 2.04 -1.95 0.75 117.51 121.13 2jkp h ILE 305 Ca -0.01 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.73 2jkp h ILE 305 Cb 1.07 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 2jkp h ILE 305 CO 0.01 0.07 -0.20 0.74 0.00 0.00 0.00 178.15 178.77 2jkp h THR 306 N 0.41 0.54 -0.80 -0.27 2.02 -1.95 -0.47 112.91 112.39 2jkp h THR 306 Ca 0.20 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.33 2jkp h THR 306 Cb 0.14 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 2jkp h THR 306 CO -0.16 0.00 0.32 -0.07 0.37 0.00 0.00 175.52 175.97 2jkp h LEU 307 N -0.34 1.10 -1.98 2.58 3.38 -1.85 -2.83 115.31 115.37 2jkp h LEU 307 Ca 0.05 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2jkp h LEU 307 Cb 0.40 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2jkp h LEU 307 CO -0.16 0.98 -0.09 0.78 0.09 0.00 0.00 178.44 180.04 2jkp h ASN 308 N 1.16 0.00 0.03 -0.43 -0.26 -0.18 -1.55 115.58 114.34 2jkp h ASN 308 Ca 0.27 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.01 2jkp h ASN 308 Cb 0.22 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.48 2jkp h ASN 308 CO -0.02 0.09 -0.02 0.18 -1.06 0.00 0.00 177.43 176.60 2jkp n LEU 309 N -4.11 0.88 -4.91 1.61 4.77 -0.25 -4.87 117.00 110.12 2jkp n LEU 309 Ca -0.03 -0.28 -0.27 0.00 -0.03 0.00 0.00 56.01 55.41 2jkp n LEU 309 Cb 0.17 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 2jkp n LEU 309 CO 0.32 0.15 0.25 0.20 -1.33 0.00 0.00 177.39 176.98 2jkp s ASN 310 N -2.05 6.37 0.41 -1.43 0.01 -0.59 -4.79 114.94 112.87 2jkp s ASN 310 Ca 0.40 0.69 -0.26 0.00 -0.71 0.00 0.00 52.86 52.99 2jkp s ASN 310 Cb 0.21 -2.14 -0.09 0.00 0.41 0.00 0.00 41.25 39.65 2jkp s ASN 310 CO 0.36 -0.30 1.32 -1.61 -1.51 0.00 0.00 177.10 175.36 2jkp s GLU 311 N -4.01 3.96 0.82 -0.60 0.41 -1.26 -4.95 118.70 113.07 2jkp s GLU 311 Ca 0.44 2.21 -0.14 0.00 -0.41 0.00 0.00 54.97 57.06 2jkp s GLU 311 Cb -0.10 -2.77 0.04 0.00 -1.78 0.00 0.00 34.13 29.52 2jkp s GLU 311 CO 0.34 -0.51 0.84 -2.30 -0.49 0.00 0.00 175.26 173.14 2jkp n PRO 312 N 0.14 0.09 -1.45 0.39 -0.02 -1.26 -3.05 135.00 129.84 2jkp n PRO 312 Ca 0.03 0.09 -0.53 0.00 -2.02 0.00 0.00 63.50 61.08 2jkp n PRO 312 Cb 0.43 -2.14 -0.05 0.00 -0.02 0.00 0.00 33.50 31.72 2jkp n PRO 312 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jkp n LYS 314 N 1.25 0.54 -3.38 0.00 5.02 -0.05 -4.84 118.16 116.71 2jkp n LYS 314 Ca 0.19 -0.98 -0.45 0.00 -2.02 0.00 0.00 58.31 55.05 2jkp n LYS 314 Cb 0.18 -1.06 -0.02 0.00 -0.02 0.00 0.00 35.03 34.11 2jkp n LYS 314 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jkp s ILE 315 N -0.48 5.53 0.22 -0.18 1.01 -1.25 -4.98 121.20 121.06 2jkp s ILE 315 Ca 0.04 -2.85 -0.16 0.00 0.00 0.00 0.00 60.65 57.68 2jkp s ILE 315 Cb 0.02 -4.39 0.23 0.00 0.01 0.00 0.00 42.46 38.33 2jkp s ILE 315 CO 0.04 -1.07 1.58 0.00 0.00 0.00 0.00 174.94 175.49 2jkp h ALA 316 N 7.32 0.21 -0.53 9.38 0.00 -1.97 -1.20 119.26 132.48 2jkp h ALA 316 Ca 0.12 0.25 -0.25 0.00 0.00 0.00 0.00 54.91 55.03 2jkp h ALA 316 Cb 0.98 0.78 -0.15 0.00 0.00 0.00 0.00 17.79 19.40 2jkp h ALA 316 CO 0.83 -0.56 0.32 -0.40 0.00 0.00 0.00 179.25 179.43 2jkp n ASP 317 N -5.48 3.45 0.08 0.00 5.75 -1.26 -4.60 116.55 114.49 2jkp n ASP 317 Ca 0.08 -2.85 -0.12 0.00 -0.01 0.00 0.00 54.79 51.90 2jkp n ASP 317 Cb 0.39 -0.68 -0.06 0.00 -1.03 0.00 0.00 41.12 39.74 2jkp n ASP 317 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jkp h ALA 318 N 1.67 -0.20 0.00 2.12 0.00 -1.65 -2.07 119.26 119.14 2jkp h ALA 318 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2jkp h ALA 318 Cb 1.95 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.95 2jkp h ALA 318 CO 0.57 -0.64 0.40 0.00 0.00 0.00 0.00 179.25 179.58 2jkp h ALA 319 N 0.65 1.40 0.00 0.00 0.00 -1.84 0.16 119.26 119.62 2jkp h ALA 319 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jkp h ALA 319 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2jkp h ALA 319 CO -0.08 -0.40 -0.56 -1.13 0.00 0.00 0.00 179.25 177.09 2jkp n SER 320 N -2.84 0.58 0.00 0.00 3.41 -0.78 -4.52 113.62 109.48 2jkp n SER 320 Ca -0.02 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2jkp n SER 320 Cb 0.44 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 2jkp n SER 320 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 2jkp n TRP 321 N -1.85 0.00 -2.62 7.33 4.27 -0.46 -5.03 117.44 119.08 2jkp n TRP 321 Ca 0.04 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.22 2jkp n TRP 321 Cb 0.40 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.32 2jkp n TRP 321 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 2jkp s VAL 322 N -0.84 4.62 0.00 -1.67 1.01 0.42 -5.01 120.40 118.93 2jkp s VAL 322 Ca 0.00 1.95 -0.01 0.00 0.00 0.00 0.00 61.98 63.92 2jkp s VAL 322 Cb 0.00 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 2jkp s VAL 322 CO 0.00 -0.17 0.02 -0.54 0.00 0.00 0.00 175.10 174.41 2jkp s LYS 323 N 3.20 0.19 0.76 2.72 -0.14 -1.26 -4.76 119.74 120.44 2jkp s LYS 323 Ca 0.46 -0.26 -0.15 0.00 -1.36 0.00 0.00 55.97 54.66 2jkp s LYS 323 Cb -0.16 0.07 0.01 0.00 -1.68 0.00 0.00 37.83 36.07 2jkp s LYS 323 CO 0.08 -0.03 0.83 -2.30 -0.76 0.00 0.00 175.35 173.17 2jkp n PRO 324 N 2.33 0.30 -3.72 -1.68 -0.02 -1.26 -5.03 135.00 125.93 2jkp n PRO 324 Ca -0.18 0.16 -0.23 0.00 -2.02 0.00 0.00 63.50 61.23 2jkp n PRO 324 Cb 0.57 -2.11 -0.17 0.00 -0.02 0.00 0.00 33.50 31.77 2jkp n PRO 324 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jkp s VAL 325 N -1.96 0.22 -0.15 -1.45 1.01 -0.22 -5.02 120.40 112.83 2jkp s VAL 325 Ca 0.69 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.59 2jkp s VAL 325 Cb -0.32 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 2jkp s VAL 325 CO 0.54 0.08 0.26 -0.75 0.00 0.00 0.00 175.10 175.23 2jkp s LYS 326 N 2.02 4.12 0.15 2.72 2.20 -1.26 -1.37 119.74 128.31 2jkp s LYS 326 Ca 0.04 0.04 -0.09 0.00 -0.36 0.00 0.00 55.97 55.60 2jkp s LYS 326 Cb -0.14 -3.38 -0.01 0.00 -1.51 0.00 0.00 37.83 32.80 2jkp s LYS 326 CO -0.06 0.35 0.26 1.52 -0.36 0.00 0.00 175.35 177.07 2jkp s TYR 327 N 0.13 0.34 0.51 4.03 -0.85 -0.11 -1.30 117.35 120.10 2jkp s TYR 327 Ca 0.15 -0.72 0.01 0.00 -0.52 0.00 0.00 57.07 56.00 2jkp s TYR 327 Cb -0.13 -0.06 -0.02 0.00 0.38 0.00 0.00 41.96 42.14 2jkp s TYR 327 CO 0.04 -0.68 0.00 0.96 -1.52 0.00 0.00 175.55 174.35 2jkp s ILE 328 N -3.94 1.20 -0.02 -3.49 -4.36 -1.05 -0.12 121.20 109.40 2jkp s ILE 328 Ca 0.14 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.24 2jkp s ILE 328 Cb 0.04 -2.20 0.09 0.00 1.25 0.00 0.00 42.46 41.63 2jkp s ILE 328 CO -0.03 0.00 0.77 -0.83 0.24 0.00 0.00 174.94 175.09 2jkp s GLY 329 N -3.87 -0.50 -0.49 6.27 0.00 -1.26 -1.05 107.32 106.42 2jkp s GLY 329 Ca 0.07 1.26 -0.28 0.00 0.00 0.00 0.00 44.72 45.77 2jkp s GLY 329 CO 0.04 0.71 1.42 0.14 0.00 0.00 0.00 173.10 175.41 2jkp s VAL 330 N -2.02 3.84 0.09 1.40 1.01 0.48 -4.48 120.40 120.72 2jkp s VAL 330 Ca -0.04 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.73 2jkp s VAL 330 Cb -0.00 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.06 2jkp s VAL 330 CO 0.00 -0.96 0.00 1.87 0.00 0.00 0.00 175.10 176.01 2jkp n TRP 331 N 9.28 -2.41 0.09 5.22 -0.00 -1.26 -2.64 117.44 125.71 2jkp n TRP 331 Ca 0.15 0.32 0.10 0.00 -0.00 0.00 0.00 57.50 58.06 2jkp n TRP 331 Cb 0.49 1.08 0.57 0.00 -0.00 0.00 0.00 31.31 33.45 2jkp n TRP 331 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 177.69 180.04 2jkp h TRP 332 N 0.00 0.21 -0.53 5.87 -0.00 -1.78 0.09 115.95 119.81 2jkp h TRP 332 Ca 0.00 0.01 0.10 0.00 -0.00 0.00 0.00 58.89 59.00 2jkp h TRP 332 Cb 0.00 -0.07 -0.11 0.00 -0.00 0.00 0.00 29.16 28.98 2jkp h TRP 332 CO 0.00 0.12 -0.25 -0.44 -0.00 0.00 0.00 178.44 177.87 2jkp h ASP 333 N 0.22 -0.87 0.35 2.65 5.19 -1.92 -0.14 116.42 121.91 2jkp h ASP 333 Ca 0.13 0.19 -0.28 0.00 -0.62 0.00 0.00 57.03 56.46 2jkp h ASP 333 Cb 0.25 0.46 0.02 0.00 0.18 0.00 0.00 39.33 40.24 2jkp h ASP 333 CO -0.02 -0.27 -1.21 0.24 -3.12 0.00 0.00 179.24 174.86 2jkp h MET 334 N -0.12 0.46 -0.43 3.56 2.86 -1.17 0.16 114.93 120.24 2jkp h MET 334 Ca 0.24 -0.65 0.05 0.00 -2.06 0.00 0.00 59.70 57.28 2jkp h MET 334 Cb 0.50 0.22 -0.05 0.00 0.06 0.00 0.00 31.60 32.34 2jkp h MET 334 CO -0.61 1.28 0.15 0.82 1.06 0.00 0.00 176.91 179.62 2jkp h ILE 335 N 0.18 0.87 0.00 -1.22 1.08 -0.97 -2.53 117.51 114.92 2jkp h ILE 335 Ca -0.16 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 2jkp h ILE 335 Cb 1.90 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 36.17 2jkp h ILE 335 CO 0.22 0.06 0.00 0.71 -0.69 0.00 0.00 178.15 178.45 2jkp h THR 336 N 0.32 0.00 0.00 -0.27 1.35 -1.09 -3.48 112.91 109.75 2jkp h THR 336 Ca 0.20 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2jkp h THR 336 Cb 0.19 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 2jkp h THR 336 CO -0.20 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.68 2jkp n GLY 337 N 1.18 0.73 0.32 5.82 0.00 -0.87 -4.71 105.19 107.67 2jkp n GLY 337 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 2jkp n GLY 337 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jkp h LYS 338 N 3.74 1.11 -5.09 1.61 3.64 -1.25 -3.46 116.57 116.87 2jkp h LYS 338 Ca 0.00 -0.17 -0.59 0.00 -1.27 0.00 0.00 60.65 58.62 2jkp h LYS 338 Cb 0.00 -0.20 -0.13 0.00 -0.41 0.00 0.00 32.23 31.49 2jkp h LYS 338 CO 0.00 0.87 -0.51 0.20 -2.27 0.00 0.00 179.45 177.74 2jkp s GLY 339 N -3.23 2.72 0.15 5.01 0.00 -0.33 -4.96 107.32 106.69 2jkp s GLY 339 Ca -0.13 -1.03 0.08 0.00 0.00 0.00 0.00 44.72 43.65 2jkp s GLY 339 CO 0.82 -1.93 -0.17 -1.35 0.00 0.00 0.00 173.10 170.47 2jkp s SER 340 N -3.68 2.48 0.09 1.64 1.04 0.10 -4.06 113.70 111.32 2jkp s SER 340 Ca 0.19 -0.85 0.07 0.00 0.48 0.00 0.00 55.95 55.83 2jkp s SER 340 Cb 0.02 -0.13 -0.22 0.00 0.10 0.00 0.00 66.02 65.79 2jkp s SER 340 CO 0.12 -0.07 1.17 -0.50 0.98 0.00 0.00 173.24 174.93 2jkp h TRP 341 N 3.30 0.05 -3.98 5.02 6.55 -1.89 -3.23 115.95 121.77 2jkp h TRP 341 Ca -0.41 -0.04 -0.49 0.00 0.95 0.00 0.00 58.89 58.90 2jkp h TRP 341 Cb 1.20 -0.00 0.03 0.00 -0.86 0.00 0.00 29.16 29.53 2jkp h TRP 341 CO 0.67 1.03 0.43 0.00 -1.05 0.00 0.00 178.44 179.52 2jkp s ALA 342 N -2.69 3.04 0.03 1.49 0.00 -1.26 -4.54 121.76 117.83 2jkp s ALA 342 Ca -0.00 0.75 -0.01 0.00 0.00 0.00 0.00 51.96 52.69 2jkp s ALA 342 Cb 0.09 -3.30 -0.27 0.00 0.00 0.00 0.00 23.12 19.65 2jkp s ALA 342 CO 0.83 -0.32 0.95 -0.92 0.00 0.00 0.00 175.76 176.30 2jkp h TYR 343 N 2.31 0.38 -3.61 0.00 3.20 -1.89 -3.40 116.97 113.97 2jkp h TYR 343 Ca -0.49 -0.28 -0.29 0.00 3.14 0.00 0.00 58.73 60.82 2jkp h TYR 343 Cb 1.22 -0.02 -0.15 0.00 1.54 0.00 0.00 36.73 39.33 2jkp h TYR 343 CO 0.57 1.29 -0.69 -0.08 -1.64 0.00 0.00 178.16 177.60 2jkp s THR 344 N -2.63 0.90 0.00 1.81 -1.32 -1.26 -2.13 115.64 111.00 2jkp s THR 344 Ca -0.06 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.42 2jkp s THR 344 Cb 0.07 -1.87 0.00 0.00 -1.51 0.00 0.00 72.50 69.19 2jkp s THR 344 CO 0.85 -0.71 0.39 0.47 -2.21 0.00 0.00 174.62 173.41 2jkp n ASP 345 N -0.17 0.77 0.00 8.08 8.00 -1.26 -4.74 116.55 127.25 2jkp n ASP 345 Ca -0.10 -0.93 0.12 0.00 0.71 0.00 0.00 54.79 54.59 2jkp n ASP 345 Cb 0.61 0.11 0.31 0.00 -0.02 0.00 0.00 41.12 42.13 2jkp n ASP 345 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2jkp n GLU 346 N -0.11 0.02 -3.78 -1.24 0.28 -1.26 -4.86 120.64 109.69 2jkp n GLU 346 Ca 0.00 0.01 -0.36 0.00 -0.16 0.00 0.00 57.16 56.64 2jkp n GLU 346 Cb 0.03 -1.51 -0.07 0.00 1.43 0.00 0.00 31.44 31.32 2jkp n GLU 346 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2jkp s LEU 347 N -3.09 4.32 0.22 -1.84 1.43 -1.26 -4.98 118.68 113.49 2jkp s LEU 347 Ca 0.11 0.42 0.25 0.00 -1.03 0.00 0.00 54.13 53.88 2jkp s LEU 347 Cb 0.17 -2.13 0.89 0.00 0.03 0.00 0.00 46.19 45.15 2jkp s LEU 347 CO 0.67 0.30 1.75 0.35 0.23 0.00 0.00 176.35 179.66 2jkp n THR 348 N 2.61 0.68 -3.59 5.49 -2.24 -1.26 -4.86 114.28 111.11 2jkp n THR 348 Ca -0.18 -0.06 -0.05 0.00 -2.27 0.00 0.00 64.05 61.50 2jkp n THR 348 Cb 0.54 -0.83 -0.02 0.00 -2.10 0.00 0.00 70.33 67.92 2jkp n THR 348 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2jkp s SER 349 N -4.36 -0.20 0.17 3.42 1.04 -1.26 -5.05 113.70 107.45 2jkp s SER 349 Ca 0.08 -0.06 0.09 0.00 0.48 0.00 0.00 55.95 56.54 2jkp s SER 349 Cb 0.11 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 2jkp s SER 349 CO 0.51 -0.43 -0.19 0.68 0.98 0.00 0.00 173.24 174.78 2jkp s VAL 350 N -2.73 1.92 -0.17 5.02 -7.23 -1.26 -5.08 120.40 110.88 2jkp s VAL 350 Ca 0.09 -1.93 -0.01 0.00 -1.81 0.00 0.00 61.98 58.33 2jkp s VAL 350 Cb -0.00 -1.89 0.04 0.00 0.56 0.00 0.00 36.38 35.09 2jkp s VAL 350 CO -0.05 -0.26 -0.05 -0.54 -0.31 0.00 0.00 175.10 173.88 2jkp s LYS 351 N -2.73 1.41 0.38 4.82 1.02 -1.26 -5.01 119.74 118.37 2jkp s LYS 351 Ca 0.16 -0.52 -0.27 0.00 0.02 0.00 0.00 55.97 55.36 2jkp s LYS 351 Cb -0.06 -2.01 -0.10 0.00 -0.52 0.00 0.00 37.83 35.14 2jkp s LYS 351 CO 0.07 -0.44 1.38 -0.51 -0.92 0.00 0.00 175.35 174.93 2jkp s LEU 352 N 1.64 4.30 0.00 3.17 1.43 -1.26 -0.39 118.68 127.56 2jkp s LEU 352 Ca 0.01 2.82 0.00 0.00 -1.03 0.00 0.00 54.13 55.93 2jkp s LEU 352 Cb -0.15 -3.76 0.00 0.00 0.03 0.00 0.00 46.19 42.31 2jkp s LEU 352 CO -0.08 -0.81 0.00 0.61 0.23 0.00 0.00 176.35 176.31 2jkp n GLY 353 N 0.63 2.09 1.30 -3.19 0.00 -1.26 -4.79 105.19 99.96 2jkp n GLY 353 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2jkp n GLY 353 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jkp n GLU 354 N -2.00 0.00 -1.70 1.61 1.02 -0.41 -5.01 120.64 114.15 2jkp n GLU 354 Ca 0.00 0.00 -0.60 0.00 -0.02 0.00 0.00 57.16 56.54 2jkp n GLU 354 Cb 0.00 -0.36 -0.08 0.00 -0.02 0.00 0.00 31.44 30.98 2jkp n GLU 354 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2jkp n THR 355 N -3.22 0.16 -3.34 2.62 -1.04 0.47 -4.93 114.28 105.01 2jkp n THR 355 Ca 0.00 -0.03 -0.46 0.00 -2.04 0.00 0.00 64.05 61.52 2jkp n THR 355 Cb 0.16 -0.89 -0.03 0.00 -1.82 0.00 0.00 70.33 67.75 2jkp n THR 355 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2jkp s ASP 356 N 2.88 6.50 0.47 8.00 2.15 -1.26 -4.94 116.67 130.47 2jkp s ASP 356 Ca 0.99 -2.35 0.14 0.00 0.43 0.00 0.00 52.55 51.76 2jkp s ASP 356 Cb -1.21 -2.20 1.11 0.00 -0.30 0.00 0.00 42.92 40.33 2jkp s ASP 356 CO 0.69 -0.67 2.07 1.88 -0.17 0.00 0.00 175.17 178.96 2jkp h TYR 357 N 8.18 0.25 0.00 -5.34 0.05 -1.96 0.13 116.97 118.28 2jkp h TYR 357 Ca -0.05 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.74 2jkp h TYR 357 Cb 1.06 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.72 2jkp h TYR 357 CO 0.91 0.14 0.00 0.66 -1.05 0.00 0.00 178.16 178.82 2jkp h SER 358 N 0.26 0.00 -0.73 3.88 4.64 -2.01 0.13 113.55 119.72 2jkp h SER 358 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2jkp h SER 358 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2jkp h SER 358 CO -0.03 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.22 2jkp n LYS 359 N -2.57 2.93 -4.21 4.77 5.02 0.44 -4.95 118.16 119.60 2jkp n LYS 359 Ca -0.01 -2.72 -0.25 0.00 -2.02 0.00 0.00 58.31 53.31 2jkp n LYS 359 Cb 0.08 -1.64 -0.07 0.00 -0.02 0.00 0.00 35.03 33.38 2jkp n LYS 359 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2jkp s THR 360 N -1.17 3.81 -0.17 -0.18 -4.23 0.47 -5.07 115.64 109.09 2jkp s THR 360 Ca 0.50 -1.55 -0.24 0.00 -1.18 0.00 0.00 61.69 59.22 2jkp s THR 360 Cb 0.27 -2.98 -0.02 0.00 1.34 0.00 0.00 72.50 71.12 2jkp s THR 360 CO 0.32 -0.23 0.78 -0.75 -0.54 0.00 0.00 174.62 174.20 2jkp s LYS 361 N -3.33 4.28 0.44 3.99 2.20 -1.26 -5.03 119.74 121.02 2jkp s LYS 361 Ca 0.30 0.93 -0.24 0.00 -0.36 0.00 0.00 55.97 56.59 2jkp s LYS 361 Cb -0.08 -3.57 -0.10 0.00 -1.51 0.00 0.00 37.83 32.57 2jkp s LYS 361 CO 0.20 -0.29 1.10 -2.30 -0.36 0.00 0.00 175.35 173.70 2jkp n PRO 362 N 5.14 1.51 0.00 4.03 -0.02 -1.26 -4.19 135.00 140.20 2jkp n PRO 362 Ca 0.03 0.54 0.13 0.00 -2.02 0.00 0.00 63.50 62.19 2jkp n PRO 362 Cb 0.49 -2.17 0.46 0.00 -0.02 0.00 0.00 33.50 32.25 2jkp n PRO 362 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2jkp n ASN 363 N 0.27 0.84 0.00 2.55 0.23 -0.90 -4.88 115.26 113.37 2jkp n ASN 363 Ca 0.09 -0.79 0.00 0.00 -0.53 0.00 0.00 54.58 53.35 2jkp n ASN 363 Cb 0.40 0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 2jkp n ASN 363 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jkp n GLY 364 N 1.32 0.79 0.00 4.83 0.00 -1.26 -4.84 105.19 106.03 2jkp n GLY 364 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2jkp n GLY 364 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jkp n LYS 365 N -2.29 0.84 -2.52 1.61 2.85 -1.26 -5.02 118.16 112.37 2jkp n LYS 365 Ca 0.00 -0.77 -0.41 0.00 -1.05 0.00 0.00 58.31 56.08 2jkp n LYS 365 Cb 0.00 -0.78 -0.03 0.00 -0.65 0.00 0.00 35.03 33.58 2jkp n LYS 365 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2jkp s HIS 366 N -0.35 2.36 0.35 5.58 2.46 -1.26 -0.72 115.29 123.71 2jkp s HIS 366 Ca 0.00 0.21 0.16 0.00 0.47 0.00 0.00 55.06 55.89 2jkp s HIS 366 Cb 0.00 -4.54 0.83 0.00 -0.13 0.00 0.00 32.58 28.74 2jkp s HIS 366 CO 0.00 -1.92 1.85 0.77 -2.47 0.00 0.00 174.74 172.98 2jkp h SER 367 N 10.22 0.00 -0.07 9.88 0.02 -1.89 -3.32 113.55 128.40 2jkp h SER 367 Ca -0.27 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.14 2jkp h SER 367 Cb 1.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 2jkp h SER 367 CO 1.23 0.33 2.58 0.00 -1.14 0.00 0.00 176.83 179.83 2jkp n ALA 368 N -2.42 7.20 -2.73 3.77 0.00 -1.26 -4.49 120.51 120.58 2jkp n ALA 368 Ca -0.02 -3.08 -0.30 0.00 0.00 0.00 0.00 53.44 50.04 2jkp n ALA 368 Cb 0.39 -3.04 -0.07 0.00 0.00 0.00 0.00 19.45 16.73 2jkp n ALA 368 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jkp s ASN 369 N 2.00 5.23 0.17 0.00 4.22 -1.25 -4.40 114.94 120.92 2jkp s ASN 369 Ca 0.68 -0.12 -0.17 0.00 -2.14 0.00 0.00 52.86 51.11 2jkp s ASN 369 Cb 0.22 -1.31 0.12 0.00 1.28 0.00 0.00 41.25 41.56 2jkp s ASN 369 CO -0.05 0.16 1.66 0.74 -2.04 0.00 0.00 177.10 177.57 2jkp h THR 370 N 2.69 0.53 -0.56 0.54 2.02 -1.38 -0.62 112.91 116.13 2jkp h THR 370 Ca -0.47 0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.73 2jkp h THR 370 Cb 1.17 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 2jkp h THR 370 CO 0.62 0.00 0.35 0.00 0.37 0.00 0.00 175.52 176.86 2jkp h ALA 371 N 1.40 0.72 -0.24 6.16 0.00 -1.96 -0.21 119.26 125.13 2jkp h ALA 371 Ca 0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2jkp h ALA 371 Cb 0.34 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2jkp h ALA 371 CO -0.46 0.09 0.07 -0.97 0.00 0.00 0.00 179.25 177.98 2jkp h ASN 372 N 0.71 0.37 -0.86 0.00 -1.24 -1.69 -2.22 115.58 110.63 2jkp h ASN 372 Ca 0.22 -0.22 0.07 0.00 0.71 0.00 0.00 56.30 57.08 2jkp h ASN 372 Cb -0.02 -0.10 -0.07 0.00 0.73 0.00 0.00 38.32 38.87 2jkp h ASN 372 CO -0.08 0.49 0.53 0.58 -1.29 0.00 0.00 177.43 177.66 2jkp h VAL 373 N 0.22 1.00 -0.86 2.57 2.07 -0.88 -1.59 116.25 118.79 2jkp h VAL 373 Ca 0.08 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 2jkp h VAL 373 Cb 0.26 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 29.98 2jkp h VAL 373 CO -0.00 0.17 0.42 0.11 0.02 0.00 0.00 177.57 178.29 2jkp h LYS 374 N 0.93 1.23 -1.00 1.57 1.57 -0.81 -1.18 116.57 118.89 2jkp h LYS 374 Ca 0.39 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 59.02 2jkp h LYS 374 Cb 0.24 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 2jkp h LYS 374 CO -0.20 0.94 0.66 0.00 -0.57 0.00 0.00 179.45 180.28 2jkp h ARG 375 N 1.22 1.27 -0.61 3.15 3.08 -0.70 -0.64 114.38 121.16 2jkp h ARG 375 Ca 0.30 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.23 2jkp h ARG 375 Cb 0.11 -0.29 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 2jkp h ARG 375 CO -0.04 0.84 0.20 1.88 -1.07 0.00 0.00 179.97 181.79 2jkp h TYR 376 N 1.31 0.92 -0.46 3.04 -1.99 -0.82 -2.37 116.97 116.61 2jkp h TYR 376 Ca 0.38 -0.07 -0.05 0.00 2.00 0.00 0.00 58.73 60.99 2jkp h TYR 376 Cb -0.09 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 38.35 2jkp h TYR 376 CO -0.00 0.74 0.10 0.82 -0.00 0.00 0.00 178.16 179.82 2jkp h ILE 377 N 0.88 1.24 -0.15 -2.88 2.04 -0.31 -0.49 117.51 117.84 2jkp h ILE 377 Ca 0.20 -0.84 0.05 0.00 1.00 0.00 0.00 64.86 65.26 2jkp h ILE 377 Cb 0.23 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 2jkp h ILE 377 CO -0.01 0.30 -0.20 0.44 0.00 0.00 0.00 178.15 178.68 2jkp h ASP 378 N 0.62 -0.63 -0.40 1.72 3.32 -0.96 0.12 116.42 120.21 2jkp h ASP 378 Ca 0.14 0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.31 2jkp h ASP 378 Cb 0.34 0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 2jkp h ASP 378 CO 0.00 -0.25 0.25 0.15 -1.72 0.00 0.00 179.24 177.67 2jkp h PHE 379 N -0.25 0.46 -0.41 4.55 3.57 -1.18 0.32 116.94 124.01 2jkp h PHE 379 Ca 0.10 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 2jkp h PHE 379 Cb 0.40 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 2jkp h PHE 379 CO -0.32 0.28 0.18 0.00 -2.23 0.00 0.00 178.31 176.22 2jkp h ALA 380 N 1.17 0.53 -0.20 2.41 0.00 -0.57 -2.35 119.26 120.23 2jkp h ALA 380 Ca 0.15 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2jkp h ALA 380 Cb -0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2jkp h ALA 380 CO -0.06 0.12 -0.20 0.00 0.00 0.00 0.00 179.25 179.11 2jkp h ALA 381 N 1.02 0.30 -1.03 0.00 0.00 -0.58 0.20 119.26 119.16 2jkp h ALA 381 Ca 0.14 -0.35 0.26 0.00 0.00 0.00 0.00 54.91 54.96 2jkp h ALA 381 Cb 0.16 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 2jkp h ALA 381 CO -0.01 0.23 0.68 0.00 0.00 0.00 0.00 179.25 180.14 2jkp h ALA 382 N 0.65 2.31 -0.29 0.00 0.00 -0.13 -2.76 119.26 119.03 2jkp h ALA 382 Ca 0.03 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2jkp h ALA 382 Cb 0.75 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2jkp h ALA 382 CO 0.05 -0.69 0.00 0.72 0.00 0.00 0.00 179.25 179.33 2jkp n HIS 383 N -4.57 0.81 -1.40 0.00 -0.00 -0.91 -4.98 115.22 104.17 2jkp n HIS 383 Ca 0.24 -0.76 -0.02 0.00 -0.00 0.00 0.00 57.72 57.19 2jkp n HIS 383 Cb 0.89 -0.23 -0.01 0.00 -0.00 0.00 0.00 29.99 30.64 2jkp n HIS 383 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2jkp n GLY 384 N -0.17 0.45 3.83 -1.41 0.00 -1.04 -4.85 105.19 101.99 2jkp n GLY 384 Ca 0.18 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 2jkp n GLY 384 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jkp s PHE 385 N -2.08 3.23 -0.01 1.61 0.08 0.03 -5.02 117.98 115.83 2jkp s PHE 385 Ca 0.00 1.46 -0.16 0.00 0.12 0.00 0.00 56.93 58.34 2jkp s PHE 385 Cb 0.00 -2.88 -0.34 0.00 -0.57 0.00 0.00 43.02 39.23 2jkp s PHE 385 CO 0.00 -0.84 0.90 -0.44 -0.10 0.00 0.00 175.22 174.74 2jkp h ASP 386 N 0.33 0.72 -5.15 1.36 3.32 -1.49 -3.43 116.42 112.07 2jkp h ASP 386 Ca -0.46 -0.93 -0.10 0.00 0.02 0.00 0.00 57.03 55.56 2jkp h ASP 386 Cb 1.20 -0.23 -0.15 0.00 0.22 0.00 0.00 39.33 40.37 2jkp h ASP 386 CO 0.59 1.66 -0.44 0.00 -1.72 0.00 0.00 179.24 179.33 2jkp s ALA 387 N -2.56 -0.09 -0.12 3.45 0.00 -1.07 -1.67 121.76 119.71 2jkp s ALA 387 Ca -0.12 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.17 2jkp s ALA 387 Cb 0.04 0.40 0.02 0.00 0.00 0.00 0.00 23.12 23.57 2jkp s ALA 387 CO 0.90 -0.45 -0.13 0.08 0.00 0.00 0.00 175.76 176.16 2jkp s VAL 388 N -3.59 1.42 0.11 0.00 1.01 -0.67 -2.54 120.40 116.13 2jkp s VAL 388 Ca 0.03 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.23 2jkp s VAL 388 Cb 0.04 -1.33 -0.07 0.00 0.00 0.00 0.00 36.38 35.02 2jkp s VAL 388 CO -0.09 0.43 0.64 -0.22 0.00 0.00 0.00 175.10 175.85 2jkp s LEU 389 N 1.23 4.54 -0.06 3.92 2.96 -0.22 -1.11 118.68 129.94 2jkp s LEU 389 Ca -0.02 1.38 0.02 0.00 -0.22 0.00 0.00 54.13 55.30 2jkp s LEU 389 Cb -0.14 -3.04 0.01 0.00 0.50 0.00 0.00 46.19 43.52 2jkp s LEU 389 CO -0.05 0.25 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.41 2jkp s VAL 390 N -1.14 1.15 -0.02 1.68 1.01 -1.25 -0.39 120.40 121.45 2jkp s VAL 390 Ca 0.32 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.85 2jkp s VAL 390 Cb -0.20 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 2jkp s VAL 390 CO 0.21 0.36 -0.15 -1.61 0.00 0.00 0.00 175.10 173.91 2jkp s GLU 391 N 0.60 2.38 0.00 2.72 2.02 -1.08 -4.38 118.70 120.97 2jkp s GLU 391 Ca -0.14 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.07 2jkp s GLU 391 Cb -0.15 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.75 2jkp s GLU 391 CO 0.04 0.60 0.00 0.41 0.02 0.00 0.00 175.26 176.32 2jkp n GLY 392 N 2.03 0.82 0.21 -1.39 0.00 -1.26 -4.43 105.19 101.17 2jkp n GLY 392 Ca -0.17 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 45.67 2jkp n GLY 392 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2jkp h TRP 393 N 0.00 0.00 -3.60 1.61 5.08 -1.84 -3.44 115.95 113.76 2jkp h TRP 393 Ca 0.00 0.00 -0.67 0.00 1.08 0.00 0.00 58.89 59.30 2jkp h TRP 393 Cb 0.00 0.00 -0.17 0.00 -3.00 0.00 0.00 29.16 25.99 2jkp h TRP 393 CO 0.00 0.06 -0.76 0.54 -1.28 0.00 0.00 178.44 177.00 2jkp s ASN 394 N -6.22 4.24 0.29 0.11 4.22 -1.26 -1.22 114.94 115.11 2jkp s ASN 394 Ca 0.06 -0.44 -0.27 0.00 -2.14 0.00 0.00 52.86 50.07 2jkp s ASN 394 Cb 0.05 -0.75 -0.15 0.00 1.28 0.00 0.00 41.25 41.69 2jkp s ASN 394 CO 0.68 0.18 0.81 -0.62 -2.04 0.00 0.00 177.10 176.11 2jkp n GLU 395 N 0.72 0.87 0.00 3.55 1.02 -0.34 -4.04 120.64 122.42 2jkp n GLU 395 Ca -0.14 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2jkp n GLU 395 Cb 0.52 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 2jkp n GLU 395 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jkp n GLY 396 N 1.51 0.88 0.27 0.62 0.00 -1.26 -4.61 105.19 102.60 2jkp n GLY 396 Ca 0.12 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.29 2jkp n GLY 396 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2jkp h TRP 397 N 0.00 0.00 -1.06 1.61 4.06 -1.86 -1.59 115.95 117.11 2jkp h TRP 397 Ca 0.00 0.00 0.30 0.00 2.06 0.00 0.00 58.89 61.25 2jkp h TRP 397 Cb 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.11 2jkp h TRP 397 CO 0.00 0.10 0.75 0.93 -3.56 0.00 0.00 178.44 176.65 2jkp h GLU 398 N 0.00 0.08 -0.17 0.49 3.07 -1.90 -2.67 114.58 113.48 2jkp h GLU 398 Ca -0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2jkp h GLU 398 Cb 0.37 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 2jkp h GLU 398 CO 0.01 0.05 0.00 -0.25 -1.40 0.00 0.00 179.01 177.43 2jkp n ASP 399 N -4.30 3.16 0.25 1.42 8.00 -0.60 -4.76 116.55 119.72 2jkp n ASP 399 Ca 0.23 -2.84 0.17 0.00 0.71 0.00 0.00 54.79 53.06 2jkp n ASP 399 Cb 1.08 -0.43 0.78 0.00 -0.02 0.00 0.00 41.12 42.52 2jkp n ASP 399 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 2jkp h TRP 400 N 1.15 0.00 -3.28 1.24 5.08 -1.54 -3.42 115.95 115.18 2jkp h TRP 400 Ca 0.00 0.00 -0.66 0.00 1.08 0.00 0.00 58.89 59.31 2jkp h TRP 400 Cb 1.15 0.00 -0.31 0.00 -3.00 0.00 0.00 29.16 27.00 2jkp h TRP 400 CO 0.28 0.00 -0.78 0.12 -1.28 0.00 0.00 178.44 176.78 2jkp s PHE 401 N -3.71 2.90 -0.65 0.12 5.36 -1.26 -4.72 117.98 116.02 2jkp s PHE 401 Ca -0.00 -1.29 0.00 0.00 -0.96 0.00 0.00 56.93 54.67 2jkp s PHE 401 Cb 0.10 -2.03 0.00 0.00 -0.34 0.00 0.00 43.02 40.75 2jkp s PHE 401 CO 0.43 -0.67 0.00 0.41 -1.46 0.00 0.00 175.22 173.93 2jkp n GLY 402 N 4.71 0.79 0.47 13.12 0.00 -1.26 -4.87 105.19 118.15 2jkp n GLY 402 Ca -0.19 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 45.66 2jkp n GLY 402 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jkp n ASN 403 N -0.12 1.83 -4.06 1.61 5.03 -1.26 -4.94 115.26 113.36 2jkp n ASN 403 Ca -0.06 -1.40 -0.32 0.00 0.87 0.00 0.00 54.58 53.67 2jkp n ASN 403 Cb 0.32 0.33 -0.00 0.00 -1.02 0.00 0.00 39.78 39.41 2jkp n ASN 403 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2jkp n SER 404 N -0.06 -3.48 -4.69 6.41 2.88 -1.26 -4.92 113.62 108.50 2jkp n SER 404 Ca 0.11 -0.91 -0.41 0.00 -1.33 0.00 0.00 58.87 56.32 2jkp n SER 404 Cb 0.44 -3.28 -0.04 0.00 -0.75 0.00 0.00 64.21 60.58 2jkp n SER 404 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2jkp s LYS 405 N -6.73 4.37 -0.03 -1.46 2.20 -1.26 -4.99 119.74 111.83 2jkp s LYS 405 Ca 0.60 1.06 -0.14 0.00 -0.36 0.00 0.00 55.97 57.14 2jkp s LYS 405 Cb -0.32 -3.53 -0.08 0.00 -1.51 0.00 0.00 37.83 32.40 2jkp s LYS 405 CO 0.88 -0.21 0.63 0.22 -0.36 0.00 0.00 175.35 176.52 2jkp h ASP 406 N 7.13 -0.42 -1.85 1.43 3.58 -1.97 -3.37 116.42 120.94 2jkp h ASP 406 Ca -0.33 0.01 -0.77 0.00 0.42 0.00 0.00 57.03 56.36 2jkp h ASP 406 Cb 1.16 0.11 -0.19 0.00 1.72 0.00 0.00 39.33 42.12 2jkp h ASP 406 CO 0.81 -0.06 1.64 0.00 -2.88 0.00 0.00 179.24 178.76 2jkp n TYR 407 N -4.67 2.72 -0.01 0.28 9.36 -1.26 -4.62 117.16 118.96 2jkp n TYR 407 Ca -0.06 -2.72 -0.19 0.00 3.32 0.00 0.00 57.90 58.25 2jkp n TYR 407 Cb 0.19 -1.73 -0.14 0.00 -0.63 0.00 0.00 39.34 37.03 2jkp n TYR 407 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 2jkp n VAL 408 N 2.70 1.74 -4.21 2.97 3.14 -1.26 -4.71 118.33 118.70 2jkp n VAL 408 Ca 0.35 -0.68 -0.12 0.00 -2.96 0.00 0.00 64.34 60.93 2jkp n VAL 408 Cb 0.35 -1.58 -0.10 0.00 -1.06 0.00 0.00 33.84 31.45 2jkp n VAL 408 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2jkp s PHE 409 N -2.56 1.07 -0.60 1.45 0.08 -1.26 -4.58 117.98 111.57 2jkp s PHE 409 Ca -0.19 -0.85 0.07 0.00 0.12 0.00 0.00 56.93 56.08 2jkp s PHE 409 Cb 0.07 -0.58 -0.02 0.00 -0.57 0.00 0.00 43.02 41.92 2jkp s PHE 409 CO 0.77 -0.05 0.49 -0.40 -0.10 0.00 0.00 175.22 175.93 2jkp n ASP 410 N -0.12 0.90 -1.01 1.36 5.68 -1.26 -4.95 116.55 117.14 2jkp n ASP 410 Ca -0.11 -0.95 -0.13 0.00 -0.50 0.00 0.00 54.79 53.10 2jkp n ASP 410 Cb 0.61 0.57 -0.06 0.00 -1.14 0.00 0.00 41.12 41.10 2jkp n ASP 410 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2jkp n PHE 411 N -0.47 0.00 0.00 2.11 3.72 -1.26 -4.69 117.46 116.87 2jkp n PHE 411 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2jkp n PHE 411 Cb 0.14 -2.70 0.00 0.00 -0.94 0.00 0.00 39.48 35.98 2jkp n PHE 411 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2jkp n VAL 412 N -2.39 0.00 -3.20 -4.37 0.24 -1.26 -4.77 118.33 102.58 2jkp n VAL 412 Ca -0.13 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.76 2jkp n VAL 412 Cb 0.55 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.84 2jkp n VAL 412 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2jkp s THR 413 N -0.57 4.99 0.54 3.34 2.01 -1.26 -5.06 115.64 119.63 2jkp s THR 413 Ca 0.00 0.58 -0.11 0.00 0.31 0.00 0.00 61.69 62.47 2jkp s THR 413 Cb 0.00 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 2jkp s THR 413 CO 0.00 -0.16 0.93 -2.16 -0.69 0.00 0.00 174.62 172.54 2jkp s PRO 414 N 2.47 3.68 0.85 4.92 0.04 -1.26 -1.20 135.00 144.49 2jkp s PRO 414 Ca 0.21 0.62 -0.11 0.00 0.04 0.00 0.00 61.00 61.76 2jkp s PRO 414 Cb -0.15 -2.20 0.10 0.00 0.04 0.00 0.00 34.50 32.29 2jkp s PRO 414 CO 0.12 -0.36 1.09 0.71 0.04 0.00 0.00 177.00 178.61 2jkp s TYR 415 N -2.87 2.36 0.57 0.56 2.02 -0.35 -4.60 117.35 115.05 2jkp s TYR 415 Ca 0.53 1.41 0.26 0.00 -0.37 0.00 0.00 57.07 58.90 2jkp s TYR 415 Cb -0.11 -3.12 1.65 0.00 -0.40 0.00 0.00 41.96 39.98 2jkp s TYR 415 CO 0.45 -2.21 2.22 -1.35 -1.57 0.00 0.00 175.55 173.08 2jkp h PRO 416 N -1.42 0.00 -0.66 -1.71 0.11 -1.92 -2.44 132.00 123.96 2jkp h PRO 416 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2jkp h PRO 416 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2jkp h PRO 416 CO 0.52 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.91 2jkp n ASP 417 N -4.05 4.75 -3.97 -2.05 5.75 -1.26 -4.79 116.55 110.92 2jkp n ASP 417 Ca -0.03 -2.44 -0.31 0.00 -0.01 0.00 0.00 54.79 52.01 2jkp n ASP 417 Cb 0.10 -0.58 -0.15 0.00 -1.03 0.00 0.00 41.12 39.46 2jkp n ASP 417 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2jkp s PHE 418 N -1.84 2.70 -0.68 2.11 5.36 -0.92 -0.93 117.98 123.78 2jkp s PHE 418 Ca 0.51 -1.99 -0.17 0.00 -0.96 0.00 0.00 56.93 54.32 2jkp s PHE 418 Cb 0.33 -1.76 0.14 0.00 -0.34 0.00 0.00 43.02 41.39 2jkp s PHE 418 CO 0.25 -0.82 0.71 0.34 -1.46 0.00 0.00 175.22 174.24 2jkp s ASP 419 N 1.29 6.39 0.15 6.13 -1.08 -1.26 -4.57 116.67 123.71 2jkp s ASP 419 Ca -0.05 -1.93 -0.17 0.00 -0.52 0.00 0.00 52.55 49.87 2jkp s ASP 419 Cb -0.19 -2.26 0.04 0.00 -1.46 0.00 0.00 42.92 39.04 2jkp s ASP 419 CO -0.06 -0.90 1.73 0.58 0.52 0.00 0.00 175.17 177.03 2jkp h VAL 420 N 5.60 0.83 -0.19 1.11 2.07 -1.97 -1.04 116.25 122.66 2jkp h VAL 420 Ca -0.14 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2jkp h VAL 420 Cb 1.07 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2jkp h VAL 420 CO 0.99 0.03 0.02 0.11 0.02 0.00 0.00 177.57 178.74 2jkp h LYS 421 N 0.15 0.32 -0.71 1.57 1.57 -1.97 -1.15 116.57 116.34 2jkp h LYS 421 Ca 0.14 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2jkp h LYS 421 Cb 0.17 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 2jkp h LYS 421 CO -0.20 0.49 0.31 1.49 -0.57 0.00 0.00 179.45 180.97 2jkp h GLU 422 N 0.10 1.04 -0.64 3.15 4.57 -1.95 0.16 114.58 121.01 2jkp h GLU 422 Ca 0.06 -0.17 -0.05 0.00 -1.18 0.00 0.00 59.36 58.01 2jkp h GLU 422 Cb 0.33 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 2jkp h GLU 422 CO 0.01 0.84 0.19 0.82 -1.18 0.00 0.00 179.01 179.69 2jkp h ILE 423 N 1.00 1.25 -0.75 2.32 2.04 -1.06 0.13 117.51 122.44 2jkp h ILE 423 Ca 0.24 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.24 2jkp h ILE 423 Cb 0.17 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 2jkp h ILE 423 CO -0.02 0.33 0.47 -0.74 0.00 0.00 0.00 178.15 178.19 2jkp h HIS 424 N 0.93 0.98 -0.10 1.37 2.76 -0.72 -0.57 115.15 119.79 2jkp h HIS 424 Ca 0.21 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.37 2jkp h HIS 424 Cb 0.30 -0.32 -0.00 0.00 1.55 0.00 0.00 27.41 28.93 2jkp h HIS 424 CO 0.02 0.64 0.01 0.00 -1.30 0.00 0.00 177.93 177.30 2jkp h ARG 425 N 1.03 0.18 0.04 5.26 3.08 -0.08 -1.94 114.38 121.94 2jkp h ARG 425 Ca 0.27 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.28 2jkp h ARG 425 Cb -0.07 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2jkp h ARG 425 CO -0.05 0.41 -0.06 -0.92 -1.07 0.00 0.00 179.97 178.27 2jkp h TYR 426 N -0.08 -0.16 -0.08 3.04 3.20 -0.49 -2.07 116.97 120.33 2jkp h TYR 426 Ca 0.03 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 2jkp h TYR 426 Cb 0.33 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 2jkp h TYR 426 CO 0.03 -0.10 0.05 0.00 -1.64 0.00 0.00 178.16 176.49 2jkp h ALA 427 N 0.83 0.10 -0.47 1.82 0.00 -1.04 -2.90 119.26 117.59 2jkp h ALA 427 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2jkp h ALA 427 Cb 0.14 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2jkp h ALA 427 CO -0.04 -0.39 0.25 0.00 0.00 0.00 0.00 179.25 179.07 2jkp h ALA 428 N 0.98 0.60 0.00 0.00 0.00 -1.32 0.11 119.26 119.63 2jkp h ALA 428 Ca 0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2jkp h ALA 428 Cb 0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2jkp h ALA 428 CO -0.01 0.13 -0.01 -0.09 0.00 0.00 0.00 179.25 179.28 2jkp h ARG 429 N 0.61 0.00 -0.60 0.00 1.12 -1.34 -1.97 114.38 112.21 2jkp h ARG 429 Ca 0.16 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.03 2jkp h ARG 429 Cb 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.03 2jkp h ARG 429 CO -0.02 0.01 0.00 1.63 -3.11 0.00 0.00 179.97 178.47 2jkp n LYS 430 N -3.90 2.99 -0.75 0.20 5.02 -0.67 -4.96 118.16 116.08 2jkp n LYS 430 Ca -0.03 -2.56 0.00 0.00 -2.02 0.00 0.00 58.31 53.70 2jkp n LYS 430 Cb 0.09 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 2jkp n LYS 430 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jkp n GLY 431 N 1.15 0.60 3.68 0.72 0.00 -0.63 -4.84 105.19 105.88 2jkp n GLY 431 Ca 0.21 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2jkp n GLY 431 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jkp s ILE 432 N -2.00 4.24 -0.08 -0.61 -1.09 0.29 -4.94 121.20 117.01 2jkp s ILE 432 Ca 0.00 -0.42 -0.09 0.00 -2.23 0.00 0.00 60.65 57.91 2jkp s ILE 432 Cb 0.00 -2.84 -0.04 0.00 -1.58 0.00 0.00 42.46 38.00 2jkp s ILE 432 CO 0.00 0.49 0.21 -0.54 -1.23 0.00 0.00 174.94 173.87 2jkp s LYS 433 N -1.23 3.56 0.08 2.79 -0.14 -0.67 -3.35 119.74 120.78 2jkp s LYS 433 Ca 0.17 -0.01 -0.23 0.00 -1.36 0.00 0.00 55.97 54.53 2jkp s LYS 433 Cb -0.11 -3.18 -0.06 0.00 -1.68 0.00 0.00 37.83 32.79 2jkp s LYS 433 CO 0.07 0.75 0.70 -1.64 -0.76 0.00 0.00 175.35 174.47 2jkp s MET 434 N -1.13 4.44 -0.24 1.68 -1.94 -1.26 -1.68 119.30 119.16 2jkp s MET 434 Ca 0.18 0.98 -0.13 0.00 -1.71 0.00 0.00 55.69 55.02 2jkp s MET 434 Cb -0.13 -3.30 -0.04 0.00 2.01 0.00 0.00 34.83 33.36 2jkp s MET 434 CO 0.08 0.46 0.27 1.41 -0.01 0.00 0.00 175.02 177.23 2jkp s MET 435 N -0.64 4.07 0.48 2.03 1.75 -0.27 -4.38 119.30 122.34 2jkp s MET 435 Ca 0.35 -0.09 -0.23 0.00 -1.25 0.00 0.00 55.69 54.47 2jkp s MET 435 Cb -0.21 -3.58 -0.07 0.00 2.84 0.00 0.00 34.83 33.82 2jkp s MET 435 CO 0.22 -0.06 1.19 1.41 -0.65 0.00 0.00 175.02 177.14 2jkp s MET 436 N 1.41 3.64 -0.19 4.11 0.00 -0.10 -3.75 119.30 124.42 2jkp s MET 436 Ca 0.12 1.84 0.01 0.00 0.00 0.00 0.00 55.69 57.66 2jkp s MET 436 Cb -0.15 -2.36 0.02 0.00 0.00 0.00 0.00 34.83 32.34 2jkp s MET 436 CO 0.07 -0.67 -0.19 -1.58 0.00 0.00 0.00 175.02 172.66 2jkp s HIS 437 N -1.52 2.81 -0.76 4.11 2.46 -1.26 -0.55 115.29 120.58 2jkp s HIS 437 Ca 0.65 -1.62 0.03 0.00 0.47 0.00 0.00 55.06 54.60 2jkp s HIS 437 Cb -0.30 -1.93 0.25 0.00 -0.13 0.00 0.00 32.58 30.47 2jkp s HIS 437 CO 0.36 -0.79 0.89 0.72 -2.47 0.00 0.00 174.74 173.45 2jkp n HIS 438 N 4.63 3.39 -2.03 3.88 8.25 0.94 -4.97 115.22 129.30 2jkp n HIS 438 Ca -0.21 -3.84 -0.42 0.00 -0.26 0.00 0.00 57.72 52.99 2jkp n HIS 438 Cb 0.50 -0.75 -0.03 0.00 1.12 0.00 0.00 29.99 30.83 2jkp n HIS 438 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2jkp s GLU 439 N -2.40 4.26 -0.01 -0.41 2.56 -1.26 -2.12 118.70 119.32 2jkp s GLU 439 Ca 0.36 2.24 0.22 0.00 0.00 0.00 0.00 54.97 57.79 2jkp s GLU 439 Cb 0.10 -3.18 -0.26 0.00 2.00 0.00 0.00 34.13 32.78 2jkp s GLU 439 CO -0.01 -0.52 0.69 0.25 -0.56 0.00 0.00 175.26 175.12 2jkp n THR 440 N 3.77 0.02 -2.48 -1.70 -2.24 -0.47 -4.88 114.28 106.29 2jkp n THR 440 Ca 0.12 -0.28 -0.17 0.00 -2.27 0.00 0.00 64.05 61.44 2jkp n THR 440 Cb 0.40 0.41 -0.01 0.00 -2.10 0.00 0.00 70.33 69.03 2jkp n THR 440 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2jkp n SER 441 N -1.94 -4.99 -0.92 3.42 7.64 -1.26 -1.57 113.62 113.99 2jkp n SER 441 Ca -0.00 0.05 -0.12 0.00 1.01 0.00 0.00 58.87 59.81 2jkp n SER 441 Cb 0.47 -4.17 -0.05 0.00 -1.01 0.00 0.00 64.21 59.44 2jkp n SER 441 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jkp n ALA 442 N -2.24 -0.18 -3.10 -0.43 0.00 -1.18 -4.60 120.51 108.77 2jkp n ALA 442 Ca -0.19 0.19 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 2jkp n ALA 442 Cb 0.65 -1.51 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 2jkp n ALA 442 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jkp s SER 443 N -2.68 6.63 0.00 0.00 0.15 -0.61 -1.04 113.70 116.14 2jkp s SER 443 Ca 0.00 -2.22 -0.06 0.00 0.70 0.00 0.00 55.95 54.37 2jkp s SER 443 Cb 0.00 -2.31 -0.29 0.00 -1.71 0.00 0.00 66.02 61.71 2jkp s SER 443 CO 0.00 -0.88 0.86 0.58 1.20 0.00 0.00 173.24 174.99 2jkp h VAL 444 N 5.43 1.15 -0.76 4.45 2.07 -1.03 -2.66 116.25 124.89 2jkp h VAL 444 Ca 0.08 -2.76 -0.03 0.00 0.82 0.00 0.00 66.70 64.82 2jkp h VAL 444 Cb 1.04 2.80 -0.04 0.00 -1.52 0.00 0.00 31.29 33.57 2jkp h VAL 444 CO 0.97 0.83 0.37 -0.09 0.02 0.00 0.00 177.57 179.67 2jkp h ARG 445 N 0.08 1.09 -0.61 1.57 2.43 -1.90 -1.66 114.38 115.38 2jkp h ARG 445 Ca -0.25 -0.15 -0.06 0.00 -0.81 0.00 0.00 59.98 58.71 2jkp h ARG 445 Cb 2.04 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 31.36 2jkp h ARG 445 CO 0.18 0.83 0.15 -0.97 -1.51 0.00 0.00 179.97 178.65 2jkp h ASN 446 N 1.08 0.89 -0.04 -3.80 -1.24 -1.80 0.37 115.58 111.04 2jkp h ASN 446 Ca 0.26 -0.17 -0.01 0.00 0.71 0.00 0.00 56.30 57.09 2jkp h ASN 446 Cb 0.10 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 38.92 2jkp h ASN 446 CO -0.03 0.86 -0.02 0.22 -1.29 0.00 0.00 177.43 177.17 2jkp h TYR 447 N 0.91 0.09 -0.70 0.67 3.20 -1.13 -2.56 116.97 117.45 2jkp h TYR 447 Ca 0.20 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.11 2jkp h TYR 447 Cb 0.32 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.51 2jkp h TYR 447 CO 0.02 0.47 0.39 0.93 -1.64 0.00 0.00 178.16 178.33 2jkp h GLU 448 N -0.31 0.69 -0.43 1.82 5.08 -0.95 -0.66 114.58 119.82 2jkp h GLU 448 Ca 0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2jkp h GLU 448 Cb 0.44 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2jkp h GLU 448 CO 0.01 0.45 0.28 0.00 -1.00 0.00 0.00 179.01 178.75 2jkp h ARG 449 N 0.71 0.56 -0.27 2.33 3.08 -0.83 -1.97 114.38 117.98 2jkp h ARG 449 Ca 0.32 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2jkp h ARG 449 Cb 0.22 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2jkp h ARG 449 CO -0.20 0.37 0.00 0.72 -1.07 0.00 0.00 179.97 179.79 2jkp n HIS 450 N -4.47 0.34 0.12 3.04 8.25 -0.75 -4.67 115.22 117.08 2jkp n HIS 450 Ca 0.03 -0.17 -0.13 0.00 -0.26 0.00 0.00 57.72 57.19 2jkp n HIS 450 Cb 0.06 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.08 2jkp n HIS 450 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 2jkp h MET 451 N 3.61 -0.28 -0.59 -0.41 4.05 -0.34 0.16 114.93 121.13 2jkp h MET 451 Ca 0.00 0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.43 2jkp h MET 451 Cb 0.79 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.63 2jkp h MET 451 CO 0.00 -0.00 0.35 -0.44 0.23 0.00 0.00 176.91 177.05 2jkp h ASP 452 N -0.56 0.72 -0.60 1.39 3.32 -1.83 0.10 116.42 118.97 2jkp h ASP 452 Ca -0.03 -0.07 0.03 0.00 0.02 0.00 0.00 57.03 56.99 2jkp h ASP 452 Cb 0.41 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 2jkp h ASP 452 CO 0.05 0.57 0.35 0.11 -1.72 0.00 0.00 179.24 178.61 2jkp h LYS 453 N 0.80 0.66 -0.25 3.56 1.57 -1.83 0.93 116.57 122.02 2jkp h LYS 453 Ca 0.21 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2jkp h LYS 453 Cb -0.01 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 2jkp h LYS 453 CO -0.04 0.44 0.10 0.00 -0.57 0.00 0.00 179.45 179.38 2jkp h ALA 454 N 1.28 0.33 -0.58 3.86 0.00 -0.31 0.12 119.26 123.95 2jkp h ALA 454 Ca 0.25 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2jkp h ALA 454 Cb 0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2jkp h ALA 454 CO -0.12 -0.08 0.21 1.88 0.00 0.00 0.00 179.25 181.14 2jkp h TYR 455 N 0.26 0.90 -0.62 0.00 0.05 -0.78 -1.74 116.97 115.04 2jkp h TYR 455 Ca 0.08 -0.08 0.09 0.00 0.05 0.00 0.00 58.73 58.87 2jkp h TYR 455 Cb 0.17 -0.27 -0.07 0.00 1.01 0.00 0.00 36.73 37.58 2jkp h TYR 455 CO -0.01 0.74 0.26 0.37 -1.05 0.00 0.00 178.16 178.47 2jkp h GLN 456 N 0.81 0.46 -0.87 4.88 5.75 -0.52 -0.67 115.11 124.95 2jkp h GLN 456 Ca 0.19 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.70 2jkp h GLN 456 Cb 0.23 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.63 2jkp h GLN 456 CO -0.01 0.30 0.56 0.35 -2.65 0.00 0.00 178.83 177.38 2jkp h PHE 457 N 0.47 1.05 0.03 3.99 3.57 -0.73 0.43 116.94 125.76 2jkp h PHE 457 Ca 0.30 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.84 2jkp h PHE 457 Cb 0.33 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 2jkp h PHE 457 CO -0.14 0.61 -0.09 0.52 -2.23 0.00 0.00 178.31 176.98 2jkp h MET 458 N 1.09 -0.17 -0.50 1.11 2.86 -0.55 -1.44 114.93 117.34 2jkp h MET 458 Ca 0.34 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.98 2jkp h MET 458 Cb -0.00 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 2jkp h MET 458 CO -0.11 -0.11 0.24 0.00 1.06 0.00 0.00 176.91 177.99 2jkp h ALA 459 N 0.78 0.64 0.00 6.32 0.00 -0.41 -0.07 119.26 126.53 2jkp h ALA 459 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jkp h ALA 459 Cb 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jkp h ALA 459 CO -0.07 0.20 0.00 -0.25 0.00 0.00 0.00 179.25 179.13 2jkp n ASP 460 N -4.61 0.48 -0.16 0.00 8.00 0.14 -2.90 116.55 117.50 2jkp n ASP 460 Ca 0.02 0.63 0.07 0.00 0.71 0.00 0.00 54.79 56.22 2jkp n ASP 460 Cb 0.12 -0.73 0.10 0.00 -0.02 0.00 0.00 41.12 40.59 2jkp n ASP 460 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2jkp n ASN 461 N -2.04 1.77 -0.04 -2.24 4.13 -0.57 -5.01 115.26 111.26 2jkp n ASN 461 Ca 0.02 -2.77 -0.01 0.00 1.68 0.00 0.00 54.58 53.50 2jkp n ASN 461 Cb 0.20 -0.36 -0.00 0.00 -1.54 0.00 0.00 39.78 38.08 2jkp n ASN 461 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jkp n GLY 462 N -1.06 0.47 3.70 7.41 0.00 -0.69 -4.89 105.19 110.14 2jkp n GLY 462 Ca 0.12 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 2jkp n GLY 462 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jkp s TYR 463 N -1.99 3.43 0.00 1.61 2.02 -0.12 -4.52 117.35 117.78 2jkp s TYR 463 Ca 0.00 0.63 0.00 0.00 -0.37 0.00 0.00 57.07 57.33 2jkp s TYR 463 Cb 0.00 -2.43 0.00 0.00 -0.40 0.00 0.00 41.96 39.13 2jkp s TYR 463 CO 0.00 0.13 0.61 0.27 -1.57 0.00 0.00 175.55 175.00 2jkp n ASN 464 N 3.93 1.18 -4.00 2.29 0.23 -1.26 -4.00 115.26 113.63 2jkp n ASN 464 Ca -0.10 -1.31 -0.11 0.00 -0.53 0.00 0.00 54.58 52.54 2jkp n ASN 464 Cb 0.52 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.10 2jkp n ASN 464 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2jkp s SER 465 N -0.31 0.43 -0.01 0.53 1.04 -1.26 -1.83 113.70 112.30 2jkp s SER 465 Ca 0.00 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.95 2jkp s SER 465 Cb 0.00 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.20 2jkp s SER 465 CO 0.00 -0.24 -0.01 0.54 0.98 0.00 0.00 173.24 174.51 2jkp s VAL 466 N -1.32 0.10 -0.25 5.02 0.11 0.28 -0.93 120.40 123.41 2jkp s VAL 466 Ca -0.13 -0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.84 2jkp s VAL 466 Cb -0.09 -0.12 -0.04 0.00 -1.53 0.00 0.00 36.38 34.60 2jkp s VAL 466 CO -0.00 0.06 0.10 -0.75 -3.33 0.00 0.00 175.10 171.17 2jkp s LYS 467 N 0.27 3.78 0.44 1.54 2.20 0.29 -0.69 119.74 127.57 2jkp s LYS 467 Ca -0.02 -0.42 0.07 0.00 -0.36 0.00 0.00 55.97 55.24 2jkp s LYS 467 Cb -0.04 -3.39 -0.01 0.00 -1.51 0.00 0.00 37.83 32.87 2jkp s LYS 467 CO -0.01 -0.11 0.36 -1.54 -0.36 0.00 0.00 175.35 173.69 2jkp s SER 468 N 1.45 4.89 0.19 1.43 1.04 0.32 -0.04 113.70 122.97 2jkp s SER 468 Ca 0.06 -0.88 -0.21 0.00 0.48 0.00 0.00 55.95 55.40 2jkp s SER 468 Cb -0.15 -0.38 0.05 0.00 0.10 0.00 0.00 66.02 65.64 2jkp s SER 468 CO 0.05 -0.72 0.60 -0.83 0.98 0.00 0.00 173.24 173.31 2jkp s GLY 469 N -4.13 -0.41 -0.38 7.32 0.00 -0.90 -0.96 107.32 107.85 2jkp s GLY 469 Ca 0.45 0.19 0.12 0.00 0.00 0.00 0.00 44.72 45.48 2jkp s GLY 469 CO 0.26 0.01 0.92 -1.72 0.00 0.00 0.00 173.10 172.58 2jkp n TYR 470 N -0.38 -0.56 -2.96 1.90 4.01 -1.22 -1.37 117.16 116.59 2jkp n TYR 470 Ca -0.13 -3.05 -0.40 0.00 -0.16 0.00 0.00 57.90 54.15 2jkp n TYR 470 Cb 0.63 0.24 -0.04 0.00 -0.31 0.00 0.00 39.34 39.86 2jkp n TYR 470 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2jkp s VAL 471 N -1.72 4.99 0.00 -0.72 1.01 -1.26 -4.41 120.40 118.29 2jkp s VAL 471 Ca 0.32 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.88 2jkp s VAL 471 Cb 0.36 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2jkp s VAL 471 CO -0.05 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.85 2jkp n GLY 472 N 3.14 3.07 3.75 4.51 0.00 -1.26 -3.11 105.19 115.29 2jkp n GLY 472 Ca 0.01 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 2jkp n GLY 472 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jkp s ASN 473 N 0.00 7.02 0.25 1.61 0.02 -1.26 -4.73 114.94 117.85 2jkp s ASN 473 Ca 0.00 2.35 -0.31 0.00 -1.02 0.00 0.00 52.86 53.89 2jkp s ASN 473 Cb 0.00 -2.62 -0.14 0.00 0.02 0.00 0.00 41.25 38.52 2jkp s ASN 473 CO 0.00 -0.40 1.32 -0.38 0.02 0.00 0.00 177.10 177.65 2jkp n ILE 474 N 2.08 1.23 -4.10 0.60 2.08 -1.26 -4.82 119.36 115.17 2jkp n ILE 474 Ca 0.03 -0.31 -0.34 0.00 0.56 0.00 0.00 62.75 62.70 2jkp n ILE 474 Cb 0.44 -1.36 -0.15 0.00 -0.75 0.00 0.00 39.64 37.81 2jkp n ILE 474 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2jkp s ILE 475 N -0.36 2.50 0.17 1.39 1.01 -0.21 -3.37 121.20 122.34 2jkp s ILE 475 Ca 0.66 -0.79 -0.32 0.00 0.00 0.00 0.00 60.65 60.20 2jkp s ILE 475 Cb -0.67 -2.08 -0.11 0.00 0.01 0.00 0.00 42.46 39.61 2jkp s ILE 475 CO 0.53 0.50 1.71 -2.16 0.00 0.00 0.00 174.94 175.53 2jkp s PRO 476 N 1.30 4.15 0.04 2.79 0.04 -1.26 -0.40 135.00 141.66 2jkp s PRO 476 Ca 0.04 2.54 -0.30 0.00 0.04 0.00 0.00 61.00 63.32 2jkp s PRO 476 Cb -0.14 -3.24 -0.06 0.00 0.04 0.00 0.00 34.50 31.11 2jkp s PRO 476 CO -0.09 -0.75 1.38 1.03 0.04 0.00 0.00 177.00 178.62 2jkp s ARG 477 N 1.61 4.31 0.00 4.56 0.52 -1.22 -2.74 118.95 125.99 2jkp s ARG 477 Ca 0.75 1.98 0.00 0.00 -0.52 0.00 0.00 55.73 57.94 2jkp s ARG 477 Cb -0.47 -3.46 0.00 0.00 0.52 0.00 0.00 34.95 31.53 2jkp s ARG 477 CO 0.33 -0.51 0.00 0.41 0.02 0.00 0.00 175.30 175.55 2jkp n GLY 478 N 3.57 1.04 3.82 -3.53 0.00 -1.26 -5.02 105.19 103.80 2jkp n GLY 478 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2jkp n GLY 478 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jkp s GLU 479 N -0.02 3.16 0.35 1.61 0.41 -1.11 -3.80 118.70 119.29 2jkp s GLU 479 Ca 0.00 1.04 0.08 0.00 -0.41 0.00 0.00 54.97 55.67 2jkp s GLU 479 Cb 0.00 -2.02 -0.03 0.00 -1.78 0.00 0.00 34.13 30.30 2jkp s GLU 479 CO 0.00 -0.93 0.29 -1.01 -0.49 0.00 0.00 175.26 173.12 2jkp s HIS 480 N -2.81 2.85 0.42 1.61 3.76 -1.26 -4.35 115.29 115.51 2jkp s HIS 480 Ca 0.60 -0.34 0.13 0.00 -0.15 0.00 0.00 55.06 55.30 2jkp s HIS 480 Cb -0.14 -1.83 0.89 0.00 1.11 0.00 0.00 32.58 32.60 2jkp s HIS 480 CO 0.47 0.16 1.94 0.45 -0.85 0.00 0.00 174.74 176.91 2jkp h HIS 481 N 1.25 0.06 -0.25 1.40 3.86 -1.70 -3.20 115.15 116.58 2jkp h HIS 481 Ca -0.44 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 2jkp h HIS 481 Cb 1.26 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.71 2jkp h HIS 481 CO 0.54 0.27 0.00 0.66 0.86 0.00 0.00 177.93 180.26 2jkp n TYR 482 N -4.26 0.58 -1.41 2.45 4.01 -0.96 -4.46 117.16 113.09 2jkp n TYR 482 Ca -0.02 -0.69 -0.30 0.00 -0.16 0.00 0.00 57.90 56.74 2jkp n TYR 482 Cb 0.28 -0.15 0.11 0.00 -0.31 0.00 0.00 39.34 39.27 2jkp n TYR 482 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2jkp s GLY 483 N -1.51 1.62 0.28 2.72 0.00 -1.21 -1.42 107.32 107.80 2jkp s GLY 483 Ca 0.29 -0.17 0.02 0.00 0.00 0.00 0.00 44.72 44.87 2jkp s GLY 483 CO 0.11 0.29 1.71 -1.61 0.00 0.00 0.00 173.10 173.60 2jkp h GLN 484 N -1.29 0.43 0.27 2.90 4.15 -1.82 0.37 115.11 120.13 2jkp h GLN 484 Ca -0.48 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 58.92 2jkp h GLN 484 Cb 1.28 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.84 2jkp h GLN 484 CO 0.58 0.29 -0.37 2.35 -1.93 0.00 0.00 178.83 179.75 2jkp h TRP 485 N 0.45 -1.01 -0.46 3.99 2.91 -1.92 -2.03 115.95 117.89 2jkp h TRP 485 Ca 0.53 0.01 -0.10 0.00 1.13 0.00 0.00 58.89 60.46 2jkp h TRP 485 Cb 0.95 0.40 -0.02 0.00 -0.51 0.00 0.00 29.16 29.99 2jkp h TRP 485 CO -0.13 -0.50 -0.13 0.52 -1.03 0.00 0.00 178.44 177.18 2jkp h MET 486 N -0.70 0.85 -0.67 2.65 2.86 -1.72 -2.11 114.93 116.09 2jkp h MET 486 Ca -0.01 -0.30 0.09 0.00 -2.06 0.00 0.00 59.70 57.42 2jkp h MET 486 Cb 0.66 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 32.19 2jkp h MET 486 CO -0.12 0.93 0.32 -0.91 1.06 0.00 0.00 176.91 178.18 2jkp h ASN 487 N 0.76 0.40 -0.27 1.22 2.35 -0.83 0.20 115.58 119.41 2jkp h ASN 487 Ca 0.12 0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2jkp h ASN 487 Cb 0.64 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 2jkp h ASN 487 CO 0.04 0.23 0.17 -1.13 -1.65 0.00 0.00 177.43 175.09 2jkp h ASN 488 N 0.55 0.32 -0.29 5.81 -0.73 -1.17 -2.34 115.58 117.74 2jkp h ASN 488 Ca 0.33 -0.05 0.07 0.00 1.87 0.00 0.00 56.30 58.52 2jkp h ASN 488 Cb 0.36 -0.08 -0.07 0.00 0.27 0.00 0.00 38.32 38.80 2jkp h ASN 488 CO -0.27 0.27 -0.18 -0.74 -0.37 0.00 0.00 177.43 176.14 2jkp h HIS 489 N 0.35 -0.47 -0.99 0.67 2.76 -0.29 0.24 115.15 117.42 2jkp h HIS 489 Ca 0.10 0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.36 2jkp h HIS 489 Cb 0.01 0.25 -0.06 0.00 1.55 0.00 0.00 27.41 29.15 2jkp h HIS 489 CO -0.05 -0.26 0.64 1.88 -1.30 0.00 0.00 177.93 178.84 2jkp h TYR 490 N -0.16 1.18 0.01 5.26 0.05 -0.48 -1.27 116.97 121.57 2jkp h TYR 490 Ca 0.15 0.03 -0.22 0.00 0.05 0.00 0.00 58.73 58.74 2jkp h TYR 490 Cb 0.39 -0.39 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 2jkp h TYR 490 CO -0.37 0.63 -0.94 1.25 -1.05 0.00 0.00 178.16 177.68 2jkp h LEU 491 N 1.17 0.41 -1.08 3.88 5.85 -1.17 -3.01 115.31 121.36 2jkp h LEU 491 Ca 0.42 -0.34 0.10 0.00 0.84 0.00 0.00 57.88 58.89 2jkp h LEU 491 Cb 0.14 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 2jkp h LEU 491 CO -0.16 1.15 0.62 0.22 -0.34 0.00 0.00 178.44 179.93 2jkp h TYR 492 N 0.17 1.09 -0.11 1.25 3.20 -0.15 -0.01 116.97 122.41 2jkp h TYR 492 Ca -0.07 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.75 2jkp h TYR 492 Cb 1.58 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 2jkp h TYR 492 CO 0.05 0.50 -0.28 0.00 -1.64 0.00 0.00 178.16 176.78 2jkp h ALA 493 N 1.52 1.31 0.17 1.82 0.00 -1.13 -0.69 119.26 122.27 2jkp h ALA 493 Ca 0.45 -0.31 -0.27 0.00 0.00 0.00 0.00 54.91 54.78 2jkp h ALA 493 Cb 0.37 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.10 2jkp h ALA 493 CO -0.21 0.47 -1.25 0.28 0.00 0.00 0.00 179.25 178.54 2jkp h VAL 494 N 0.19 1.26 -0.39 0.00 2.07 -1.34 -0.71 116.25 117.33 2jkp h VAL 494 Ca 0.03 -2.54 -0.01 0.00 0.82 0.00 0.00 66.70 64.99 2jkp h VAL 494 Cb 0.61 2.99 -0.02 0.00 -1.52 0.00 0.00 31.29 33.35 2jkp h VAL 494 CO 0.04 0.76 0.19 0.11 0.02 0.00 0.00 177.57 178.69 2jkp h LYS 495 N -0.16 0.56 -0.30 1.57 1.57 -0.87 -0.65 116.57 118.29 2jkp h LYS 495 Ca -0.24 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.42 2jkp h LYS 495 Cb 1.87 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 34.06 2jkp h LYS 495 CO 0.17 0.49 0.04 -0.22 -0.57 0.00 0.00 179.45 179.35 2jkp h LYS 496 N 0.49 0.50 -0.80 3.15 3.64 -1.19 -2.66 116.57 119.72 2jkp h LYS 496 Ca 0.13 -0.14 0.15 0.00 -1.27 0.00 0.00 60.65 59.53 2jkp h LYS 496 Cb 0.11 -0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 31.78 2jkp h LYS 496 CO -0.02 0.61 0.35 0.00 -2.27 0.00 0.00 179.45 178.12 2jkp h ALA 497 N 0.87 1.16 -0.54 5.00 0.00 -0.84 -0.61 119.26 124.30 2jkp h ALA 497 Ca 0.09 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2jkp h ALA 497 Cb 0.36 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2jkp h ALA 497 CO 0.01 -0.19 0.36 0.00 0.00 0.00 0.00 179.25 179.42 2jkp h ALA 498 N 1.57 1.73 0.00 0.00 0.00 -0.78 0.25 119.26 122.03 2jkp h ALA 498 Ca 0.44 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 2jkp h ALA 498 Cb 0.68 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2jkp h ALA 498 CO -0.41 0.21 -0.22 -0.44 0.00 0.00 0.00 179.25 178.39 2jkp h ASP 499 N 0.62 0.00 -0.47 0.00 3.32 -0.86 -1.47 116.42 117.56 2jkp h ASP 499 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2jkp h ASP 499 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2jkp h ASP 499 CO -0.06 0.22 0.00 -1.22 -1.72 0.00 0.00 179.24 176.46 2jkp n TYR 500 N -4.01 0.63 -3.74 4.55 4.01 0.64 -4.93 117.16 114.31 2jkp n TYR 500 Ca -0.02 -0.31 -0.24 0.00 -0.16 0.00 0.00 57.90 57.17 2jkp n TYR 500 Cb 0.29 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.36 2jkp n TYR 500 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2jkp n LYS 501 N 0.93 -5.25 -4.87 -0.72 4.76 -0.55 -5.00 118.16 107.46 2jkp n LYS 501 Ca 0.17 0.63 -0.33 0.00 -2.87 0.00 0.00 58.31 55.91 2jkp n LYS 501 Cb 0.42 -5.31 -0.13 0.00 -1.84 0.00 0.00 35.03 28.17 2jkp n LYS 501 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2jkp s ILE 502 N -3.55 3.05 -0.02 -0.18 1.01 0.21 -4.90 121.20 116.81 2jkp s ILE 502 Ca 0.19 -0.71 -0.15 0.00 0.00 0.00 0.00 60.65 59.98 2jkp s ILE 502 Cb -0.10 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.11 2jkp s ILE 502 CO 0.81 0.58 0.42 -0.04 0.00 0.00 0.00 174.94 176.70 2jkp s MET 503 N -0.48 3.99 -0.06 2.79 -1.94 -0.76 -4.01 119.30 118.83 2jkp s MET 503 Ca 0.06 0.41 0.06 0.00 -1.71 0.00 0.00 55.69 54.51 2jkp s MET 503 Cb -0.12 -3.26 -0.01 0.00 2.01 0.00 0.00 34.83 33.45 2jkp s MET 503 CO 0.02 0.60 -0.23 0.08 -0.01 0.00 0.00 175.02 175.48 2jkp s VAL 504 N -0.79 2.25 -0.21 -6.03 1.01 0.12 -0.56 120.40 116.19 2jkp s VAL 504 Ca 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2jkp s VAL 504 Cb -0.16 -1.83 0.05 0.00 0.00 0.00 0.00 36.38 34.44 2jkp s VAL 504 CO 0.13 0.57 -0.05 0.21 0.00 0.00 0.00 175.10 175.96 2jkp s ASN 505 N -0.26 3.46 -0.30 3.32 2.47 0.14 -1.70 114.94 122.06 2jkp s ASN 505 Ca -0.00 -0.99 -0.07 0.00 0.42 0.00 0.00 52.86 52.22 2jkp s ASN 505 Cb -0.13 -1.06 0.01 0.00 -1.45 0.00 0.00 41.25 38.62 2jkp s ASN 505 CO 0.03 -0.22 0.08 0.00 -3.72 0.00 0.00 177.10 173.27 2jkp s ALA 506 N 1.50 3.06 0.45 1.71 0.00 -0.88 -0.52 121.76 127.08 2jkp s ALA 506 Ca -0.03 -1.49 -0.20 0.00 0.00 0.00 0.00 51.96 50.23 2jkp s ALA 506 Cb -0.18 -2.17 -0.10 0.00 0.00 0.00 0.00 23.12 20.68 2jkp s ALA 506 CO -0.07 -0.98 0.97 -1.01 0.00 0.00 0.00 175.76 174.67 2jkp s HIS 507 N 1.49 3.30 0.00 0.00 3.76 -0.14 -2.56 115.29 121.14 2jkp s HIS 507 Ca 0.02 1.58 0.00 0.00 -0.15 0.00 0.00 55.06 56.51 2jkp s HIS 507 Cb -0.17 -2.86 0.00 0.00 1.11 0.00 0.00 32.58 30.65 2jkp s HIS 507 CO 0.02 -0.24 0.00 0.39 -0.85 0.00 0.00 174.74 174.06 2jkp n GLU 508 N -0.86 -0.15 -1.46 1.40 4.71 -1.26 -3.37 120.64 119.65 2jkp n GLU 508 Ca 0.07 0.04 -0.30 0.00 -0.01 0.00 0.00 57.16 56.96 2jkp n GLU 508 Cb 0.54 -4.15 0.10 0.00 -1.01 0.00 0.00 31.44 26.91 2jkp n GLU 508 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2jkp s ALA 509 N -1.55 2.15 0.18 0.62 0.00 -1.25 -4.86 121.76 117.04 2jkp s ALA 509 Ca 0.00 -0.10 -0.32 0.00 0.00 0.00 0.00 51.96 51.54 2jkp s ALA 509 Cb 0.00 -3.15 -0.16 0.00 0.00 0.00 0.00 23.12 19.81 2jkp s ALA 509 CO 0.00 -1.81 1.05 2.41 0.00 0.00 0.00 175.76 177.41 2jkp n THR 510 N -3.50 1.14 -2.12 0.00 -1.04 -1.26 -4.58 114.28 102.92 2jkp n THR 510 Ca 0.07 -0.28 -0.36 0.00 -2.04 0.00 0.00 64.05 61.44 2jkp n THR 510 Cb 0.55 -0.70 0.01 0.00 -1.82 0.00 0.00 70.33 68.38 2jkp n THR 510 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jkp s ARG 511 N -0.61 3.30 0.66 -2.82 1.04 -1.26 -4.95 118.95 114.30 2jkp s ARG 511 Ca 0.71 1.80 -0.11 0.00 -1.04 0.00 0.00 55.73 57.09 2jkp s ARG 511 Cb -0.87 -2.11 -0.02 0.00 -2.04 0.00 0.00 34.95 29.91 2jkp s ARG 511 CO 0.54 -0.94 1.05 -1.25 -0.04 0.00 0.00 175.30 174.66 2jkp s PRO 512 N -3.11 3.28 0.00 3.89 0.04 -1.26 -5.00 135.00 132.84 2jkp s PRO 512 Ca 0.72 0.72 0.19 0.00 0.04 0.00 0.00 61.00 62.67 2jkp s PRO 512 Cb -0.29 -2.05 0.32 0.00 0.04 0.00 0.00 34.50 32.52 2jkp s PRO 512 CO 0.33 -0.80 1.12 0.25 0.04 0.00 0.00 177.00 177.94 2jkp n THR 513 N -2.89 0.00 -0.06 1.26 -2.24 -1.22 -4.50 114.28 104.63 2jkp n THR 513 Ca 0.06 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 2jkp n THR 513 Cb 0.55 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 2jkp n THR 513 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jkp n GLY 514 N 0.37 0.51 0.10 3.38 0.00 0.07 -0.50 105.19 109.11 2jkp n GLY 514 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 2jkp n GLY 514 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jkp n ILE 515 N -2.00 0.93 0.29 -0.61 5.41 -1.26 -1.35 119.36 120.76 2jkp n ILE 515 Ca 0.00 0.29 0.13 0.00 1.00 0.00 0.00 62.75 64.17 2jkp n ILE 515 Cb 0.00 -1.18 0.85 0.00 -0.71 0.00 0.00 39.64 38.59 2jkp n ILE 515 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jkp h ARG 517 N 0.00 0.30 -0.03 0.00 2.43 -1.53 -1.73 114.38 113.81 2jkp h ARG 517 Ca 0.00 -0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 58.97 2jkp h ARG 517 Cb 0.00 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2jkp h ARG 517 CO -0.00 0.20 -0.79 1.15 -1.51 0.00 0.00 179.97 179.02 2jkp h THR 518 N 0.30 1.45 -2.80 0.20 2.02 -1.18 -2.97 112.91 109.93 2jkp h THR 518 Ca 0.16 -2.38 -0.60 0.00 0.77 0.00 0.00 66.41 64.36 2jkp h THR 518 Cb 0.12 2.29 -0.40 0.00 -1.74 0.00 0.00 68.15 68.43 2jkp h THR 518 CO -0.15 0.70 -0.78 -0.31 0.37 0.00 0.00 175.52 175.35 2jkp s TYR 519 N -3.41 1.95 -1.70 3.16 2.02 -0.50 -0.87 117.35 118.00 2jkp s TYR 519 Ca -0.04 -2.51 0.23 0.00 -0.37 0.00 0.00 57.07 54.38 2jkp s TYR 519 Cb 0.11 -1.70 1.24 0.00 -0.40 0.00 0.00 41.96 41.20 2jkp s TYR 519 CO 0.82 -0.75 1.73 -2.30 -1.57 0.00 0.00 175.55 173.48 2jkp n PRO 520 N 3.08 0.50 0.00 -1.71 -0.02 -0.67 -1.72 135.00 134.45 2jkp n PRO 520 Ca 0.17 0.04 0.11 0.00 -2.02 0.00 0.00 63.50 61.80 2jkp n PRO 520 Cb 0.38 -1.50 0.54 0.00 -0.02 0.00 0.00 33.50 32.90 2jkp n PRO 520 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2jkp n ASN 521 N -1.15 0.00 -4.52 2.55 6.94 -1.26 -4.27 115.26 113.55 2jkp n ASN 521 Ca 0.14 0.21 -0.43 0.00 -0.02 0.00 0.00 54.58 54.48 2jkp n ASN 521 Cb 0.13 -0.39 -0.02 0.00 -2.36 0.00 0.00 39.78 37.15 2jkp n ASN 521 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2jkp s LEU 522 N -2.77 4.26 0.00 -4.53 2.96 -0.70 0.15 118.68 118.05 2jkp s LEU 522 Ca 0.17 -2.02 0.24 0.00 -0.22 0.00 0.00 54.13 52.30 2jkp s LEU 522 Cb 0.15 -2.50 0.25 0.00 0.50 0.00 0.00 46.19 44.60 2jkp s LEU 522 CO 0.38 -1.21 1.28 2.30 -1.32 0.00 0.00 176.35 177.79 2jkp n ILE 523 N 6.06 0.00 -3.66 6.68 -5.35 -0.69 -4.75 119.36 117.64 2jkp n ILE 523 Ca 0.33 -0.44 -0.03 0.00 -0.27 0.00 0.00 62.75 62.35 2jkp n ILE 523 Cb 0.48 1.36 -0.01 0.00 -1.74 0.00 0.00 39.64 39.73 2jkp n ILE 523 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2jkp s GLY 524 N -2.08 -0.33 0.19 3.28 0.00 -1.14 -4.41 107.32 102.84 2jkp s GLY 524 Ca 0.27 0.55 -0.09 0.00 0.00 0.00 0.00 44.72 45.46 2jkp s GLY 524 CO 0.35 0.13 0.32 -1.31 0.00 0.00 0.00 173.10 172.59 2jkp s ASN 525 N -2.81 0.01 0.00 1.64 0.01 -1.24 -2.07 114.94 110.47 2jkp s ASN 525 Ca 0.11 -0.94 0.00 0.00 -0.71 0.00 0.00 52.86 51.32 2jkp s ASN 525 Cb 0.00 0.47 0.00 0.00 0.41 0.00 0.00 41.25 42.14 2jkp s ASN 525 CO -0.02 -0.95 0.00 1.21 -1.51 0.00 0.00 177.10 175.83 2jkp n GLU 526 N -0.27 0.00 -2.31 -0.60 2.13 -1.06 -0.31 120.64 118.23 2jkp n GLU 526 Ca -0.05 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.63 2jkp n GLU 526 Cb 0.63 -0.01 -0.01 0.00 0.27 0.00 0.00 31.44 32.32 2jkp n GLU 526 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2jkp n SER 527 N -0.13 -4.48 -3.52 4.31 7.64 -1.26 -4.76 113.62 111.41 2jkp n SER 527 Ca 0.00 -0.02 -0.01 0.00 1.01 0.00 0.00 58.87 59.84 2jkp n SER 527 Cb 0.00 -3.62 0.01 0.00 -1.01 0.00 0.00 64.21 59.59 2jkp n SER 527 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jkp s ALA 528 N -2.75 -1.85 -0.18 -0.43 0.00 -1.26 -4.71 121.76 110.58 2jkp s ALA 528 Ca 0.01 -0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.55 2jkp s ALA 528 Cb -0.00 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 2jkp s ALA 528 CO 0.01 -1.08 1.23 0.50 0.00 0.00 0.00 175.76 176.42 2jkp s ARG 529 N -2.26 4.23 0.18 0.00 3.52 -1.19 -4.55 118.95 118.87 2jkp s ARG 529 Ca 0.22 1.61 0.02 0.00 -0.13 0.00 0.00 55.73 57.45 2jkp s ARG 529 Cb -0.01 -3.75 0.02 0.00 -1.56 0.00 0.00 34.95 29.64 2jkp s ARG 529 CO 0.03 -0.71 0.16 0.41 -0.81 0.00 0.00 175.30 174.38 2jkp n GLY 530 N 3.59 2.70 0.31 8.12 0.00 -1.26 -4.99 105.19 113.66 2jkp n GLY 530 Ca 0.14 -2.20 0.18 0.00 0.00 0.00 0.00 46.02 44.13 2jkp n GLY 530 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2jkp h THR 531 N 0.42 0.32 -0.74 2.61 2.02 -1.78 -1.00 112.91 114.76 2jkp h THR 531 Ca -0.10 -0.13 0.11 0.00 0.77 0.00 0.00 66.41 67.06 2jkp h THR 531 Cb 0.40 1.09 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 2jkp h THR 531 CO 0.16 0.02 0.49 1.05 0.37 0.00 0.00 175.52 177.61 2jkp h GLU 532 N 0.00 0.56 0.00 6.66 4.11 -1.90 0.14 114.58 124.14 2jkp h GLU 532 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.40 2jkp h GLU 532 Cb 0.09 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2jkp h GLU 532 CO 0.00 0.37 0.00 0.66 0.07 0.00 0.00 179.01 180.11 2jkp n TYR 533 N -4.50 0.40 0.30 2.06 4.02 -0.38 -1.32 117.16 117.75 2jkp n TYR 533 Ca 0.13 0.14 0.19 0.00 -0.01 0.00 0.00 57.90 58.35 2jkp n TYR 533 Cb 0.40 -0.73 0.90 0.00 -0.02 0.00 0.00 39.34 39.88 2jkp n TYR 533 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2jkp h GLU 534 N 0.00 0.00 -0.02 -0.72 4.39 -0.87 0.19 114.58 117.55 2jkp h GLU 534 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jkp h GLU 534 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2jkp h GLU 534 CO 0.00 0.00 -0.31 -1.13 -1.16 0.00 0.00 179.01 176.41 2jkp n SER 535 N -2.90 2.18 -1.06 1.42 3.41 -0.43 -3.92 113.62 112.33 2jkp n SER 535 Ca -0.01 -1.59 -0.03 0.00 -0.26 0.00 0.00 58.87 56.98 2jkp n SER 535 Cb 0.16 0.30 0.18 0.00 -0.26 0.00 0.00 64.21 64.58 2jkp n SER 535 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2jkp n PHE 536 N 0.30 0.88 0.00 7.33 3.72 -0.10 -4.70 117.46 124.89 2jkp n PHE 536 Ca 0.11 -1.68 0.00 0.00 -0.05 0.00 0.00 57.45 55.83 2jkp n PHE 536 Cb 0.49 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 2jkp n PHE 536 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jkp n GLY 537 N -1.07 1.10 0.00 1.37 0.00 -1.15 -5.02 105.19 100.42 2jkp n GLY 537 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2jkp n GLY 537 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkp n GLY 538 N 0.00 3.18 3.94 -0.02 0.00 0.46 -4.65 105.19 108.10 2jkp n GLY 538 Ca 0.00 -1.99 -0.22 0.00 0.00 0.00 0.00 46.02 43.82 2jkp n GLY 538 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jkp s ASN 539 N 0.00 6.18 0.50 1.61 0.01 -1.26 -4.59 114.94 117.38 2jkp s ASN 539 Ca 0.00 0.03 -0.24 0.00 -0.71 0.00 0.00 52.86 51.94 2jkp s ASN 539 Cb 0.00 -1.78 -0.07 0.00 0.41 0.00 0.00 41.25 39.81 2jkp s ASN 539 CO 0.00 -0.05 1.38 -0.54 -1.51 0.00 0.00 177.10 176.39 2jkp s LYS 540 N -3.85 3.43 0.43 -0.60 1.02 -1.26 -4.62 119.74 114.30 2jkp s LYS 540 Ca 0.34 2.30 0.18 0.00 0.02 0.00 0.00 55.97 58.81 2jkp s LYS 540 Cb -0.09 -2.46 1.10 0.00 -0.52 0.00 0.00 37.83 35.86 2jkp s LYS 540 CO 0.28 -0.98 1.87 0.28 -0.92 0.00 0.00 175.35 175.88 2jkp h VAL 541 N 1.88 0.69 -0.22 3.17 2.07 -1.98 0.17 116.25 122.04 2jkp h VAL 541 Ca -0.51 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2jkp h VAL 541 Cb 1.28 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2jkp h VAL 541 CO 0.59 0.07 0.00 0.00 0.02 0.00 0.00 177.57 178.25 2jkp n TYR 542 N -4.49 0.29 -0.11 1.57 0.18 -1.26 -4.54 117.16 108.79 2jkp n TYR 542 Ca 0.18 -0.14 -0.05 0.00 1.88 0.00 0.00 57.90 59.77 2jkp n TYR 542 Cb 0.69 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.66 2jkp n TYR 542 CO 0.00 0.00 0.00 1.25 -2.08 0.00 0.00 176.86 176.03 2jkp h HIS 543 N 1.95 -0.31 0.00 -3.48 2.76 -1.30 -1.48 115.15 113.30 2jkp h HIS 543 Ca 0.00 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2jkp h HIS 543 Cb 0.44 0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.59 2jkp h HIS 543 CO 0.14 -0.21 0.00 0.25 -1.30 0.00 0.00 177.93 176.81 2jkp n THR 544 N -5.33 0.37 1.39 6.26 -2.24 -1.26 -1.25 114.28 112.22 2jkp n THR 544 Ca 0.02 0.09 0.14 0.00 -2.27 0.00 0.00 64.05 62.03 2jkp n THR 544 Cb 0.24 -0.76 0.43 0.00 -2.10 0.00 0.00 70.33 68.14 2jkp n THR 544 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2jkp n THR 545 N -1.27 0.01 -0.05 4.28 -2.24 -0.56 -4.37 114.28 110.07 2jkp n THR 545 Ca 0.10 -0.30 -0.10 0.00 -2.27 0.00 0.00 64.05 61.47 2jkp n THR 545 Cb 0.16 0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 69.05 2jkp n THR 545 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2jkp n ILE 546 N 0.42 0.58 -0.32 2.28 5.41 -0.38 -2.31 119.36 125.05 2jkp n ILE 546 Ca 0.18 -0.18 0.10 0.00 1.00 0.00 0.00 62.75 63.86 2jkp n ILE 546 Cb 0.41 -1.35 0.23 0.00 -0.71 0.00 0.00 39.64 38.22 2jkp n ILE 546 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2jkp h LEU 547 N -0.24 -0.52 -2.19 1.39 3.38 -1.55 0.44 115.31 116.02 2jkp h LEU 547 Ca -0.25 0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2jkp h LEU 547 Cb 1.28 0.47 0.00 0.00 0.09 0.00 0.00 40.66 42.50 2jkp h LEU 547 CO -0.12 -0.30 0.00 -0.65 0.09 0.00 0.00 178.44 177.46 2jkp h PRO 548 N 0.04 0.00 0.00 1.13 0.11 -1.86 -1.22 132.00 130.20 2jkp h PRO 548 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 2jkp h PRO 548 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2jkp h PRO 548 CO -0.87 0.00 -0.67 1.19 -0.21 0.00 0.00 178.00 177.44 2jkp n PHE 549 N -3.03 0.48 0.00 0.65 3.72 0.15 -4.38 117.46 115.06 2jkp n PHE 549 Ca -0.01 0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 2jkp n PHE 549 Cb 0.18 -0.60 0.00 0.00 -0.94 0.00 0.00 39.48 38.12 2jkp n PHE 549 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2jkp n THR 550 N -2.05 0.00 -0.29 4.37 -2.24 -0.56 -4.74 114.28 108.77 2jkp n THR 550 Ca 0.03 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.92 2jkp n THR 550 Cb 0.43 -0.03 0.26 0.00 -2.10 0.00 0.00 70.33 68.90 2jkp n THR 550 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2jkp h ARG 551 N 0.00 0.22 0.00 -0.78 9.65 -1.73 -0.60 114.38 121.15 2jkp h ARG 551 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2jkp h ARG 551 Cb 0.00 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 2jkp h ARG 551 CO 0.00 0.14 0.00 1.28 2.80 0.00 0.00 179.97 184.19 2jkp n LEU 552 N -5.21 0.34 -4.61 3.80 4.77 -0.62 -4.52 117.00 110.95 2jkp n LEU 552 Ca 0.20 0.59 -0.43 0.00 -0.03 0.00 0.00 56.01 56.34 2jkp n LEU 552 Cb 0.63 -0.55 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 2jkp n LEU 552 CO 0.07 -0.44 1.12 -0.69 -1.33 0.00 0.00 177.39 176.13 2jkp s VAL 553 N -3.17 4.10 0.00 4.08 1.01 -0.23 -2.39 120.40 123.80 2jkp s VAL 553 Ca 0.05 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.19 2jkp s VAL 553 Cb 0.09 -4.36 0.00 0.00 0.00 0.00 0.00 36.38 32.11 2jkp s VAL 553 CO 0.31 -0.78 0.00 0.61 0.00 0.00 0.00 175.10 175.24 2jkp n GLY 554 N 4.77 1.74 0.00 4.51 0.00 -1.26 -4.74 105.19 110.21 2jkp n GLY 554 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2jkp n GLY 554 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkp n GLY 555 N -0.35 3.66 3.66 -0.02 0.00 -1.01 -0.75 105.19 110.38 2jkp n GLY 555 Ca 0.00 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 2jkp n GLY 555 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jkp s PRO 556 N -2.20 0.76 -0.08 1.61 0.04 -1.26 -4.37 135.00 129.49 2jkp s PRO 556 Ca 0.00 1.05 0.05 0.00 0.04 0.00 0.00 61.00 62.13 2jkp s PRO 556 Cb 0.00 -1.73 -0.00 0.00 0.04 0.00 0.00 34.50 32.80 2jkp s PRO 556 CO 0.00 -2.65 -0.24 1.41 0.04 0.00 0.00 177.00 175.57 2jkp s MET 557 N -4.75 2.79 -1.20 4.56 1.75 -1.25 -3.69 119.30 117.51 2jkp s MET 557 Ca 0.65 -0.86 -0.20 0.00 -1.25 0.00 0.00 55.69 54.03 2jkp s MET 557 Cb -0.21 -2.20 0.05 0.00 2.84 0.00 0.00 34.83 35.32 2jkp s MET 557 CO 0.59 0.24 1.67 0.34 -0.65 0.00 0.00 175.02 177.21 2jkp s ASP 558 N 0.17 6.61 0.43 1.11 2.15 0.58 -4.70 116.67 123.02 2jkp s ASP 558 Ca -0.13 -2.08 0.23 0.00 0.43 0.00 0.00 52.55 51.00 2jkp s ASP 558 Cb -0.16 -2.58 0.33 0.00 -0.30 0.00 0.00 42.92 40.21 2jkp s ASP 558 CO 0.07 -1.40 1.60 0.22 -0.17 0.00 0.00 175.17 175.49 2jkp h TYR 559 N 8.42 0.00 -5.90 -5.34 3.20 -1.86 -3.44 116.97 112.04 2jkp h TYR 559 Ca 0.36 0.00 -0.37 0.00 3.14 0.00 0.00 58.73 61.86 2jkp h TYR 559 Cb 0.92 0.00 0.11 0.00 1.54 0.00 0.00 36.73 39.30 2jkp h TYR 559 CO 1.37 0.04 -0.85 0.25 -1.64 0.00 0.00 178.16 177.32 2jkp n THR 560 N -3.11 -6.10 -0.87 1.81 -2.24 -1.26 -2.54 114.28 99.97 2jkp n THR 560 Ca 0.04 -0.80 -0.17 0.00 -2.27 0.00 0.00 64.05 60.84 2jkp n THR 560 Cb 0.54 -4.72 0.14 0.00 -2.10 0.00 0.00 70.33 64.19 2jkp n THR 560 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2jkp n PRO 561 N -3.99 -2.15 -0.65 -0.78 -0.04 -1.25 -4.59 135.00 121.54 2jkp n PRO 561 Ca -0.20 -1.03 0.00 0.00 -0.04 0.00 0.00 63.50 62.22 2jkp n PRO 561 Cb 0.65 -0.94 0.00 0.00 -0.04 0.00 0.00 33.50 33.16 2jkp n PRO 561 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jkp n GLY 562 N -1.64 1.36 3.65 0.55 0.00 -1.26 -2.45 105.19 105.41 2jkp n GLY 562 Ca 0.09 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2jkp n GLY 562 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jkp s ILE 563 N -2.00 4.79 -0.22 -0.61 -1.09 -1.26 -3.65 121.20 117.16 2jkp s ILE 563 Ca 0.00 1.75 0.04 0.00 -2.23 0.00 0.00 60.65 60.20 2jkp s ILE 563 Cb 0.00 -4.19 -0.16 0.00 -1.58 0.00 0.00 42.46 36.53 2jkp s ILE 563 CO 0.00 -0.10 -0.16 0.49 -1.23 0.00 0.00 174.94 173.94 2jkp n PHE 564 N 6.01 0.00 -3.02 3.97 3.01 -1.26 -4.71 117.46 121.47 2jkp n PHE 564 Ca 0.08 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.09 2jkp n PHE 564 Cb 0.47 -0.86 -0.03 0.00 -0.01 0.00 0.00 39.48 39.05 2jkp n PHE 564 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2jkp s GLU 565 N -2.44 3.52 0.00 -1.08 2.56 -1.26 -4.87 118.70 115.12 2jkp s GLU 565 Ca -0.27 -1.80 0.29 0.00 0.00 0.00 0.00 54.97 53.18 2jkp s GLU 565 Cb 0.07 -4.71 1.19 0.00 2.00 0.00 0.00 34.13 32.68 2jkp s GLU 565 CO 0.55 -1.66 1.83 0.25 -0.56 0.00 0.00 175.26 175.67 2jkp n THR 566 N 5.22 0.00 -3.30 -1.70 -2.24 -1.26 -4.58 114.28 106.42 2jkp n THR 566 Ca 0.17 -0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.41 2jkp n THR 566 Cb 0.48 0.09 -0.08 0.00 -2.10 0.00 0.00 70.33 68.72 2jkp n THR 566 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2jkp s HIS 567 N -2.28 3.16 -0.64 4.78 3.76 -1.26 -0.60 115.29 122.20 2jkp s HIS 567 Ca 0.33 -0.36 0.19 0.00 -0.15 0.00 0.00 55.06 55.08 2jkp s HIS 567 Cb 0.20 -2.94 0.83 0.00 1.11 0.00 0.00 32.58 31.78 2jkp s HIS 567 CO 0.43 -0.72 1.59 0.00 -0.85 0.00 0.00 174.74 175.19 2jkp n ASN 569 N -1.97 0.72 0.13 0.00 0.23 -0.81 -1.58 115.26 111.98 2jkp n ASN 569 Ca 0.02 0.66 -0.01 0.00 -0.53 0.00 0.00 54.58 54.72 2jkp n ASN 569 Cb 0.18 -0.82 0.11 0.00 -2.08 0.00 0.00 39.78 37.17 2jkp n ASN 569 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 2jkp h LYS 570 N 0.00 0.00 -0.03 -3.83 1.57 -1.77 -3.06 116.57 109.44 2jkp h LYS 570 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2jkp h LYS 570 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2jkp h LYS 570 CO 0.00 0.65 -0.23 0.52 -0.57 0.00 0.00 179.45 179.83 2jkp h MET 571 N 0.00 0.21 -2.61 3.15 2.86 -1.57 -3.45 114.93 113.52 2jkp h MET 571 Ca -0.01 -0.18 -0.31 0.00 -2.06 0.00 0.00 59.70 57.15 2jkp h MET 571 Cb 1.26 0.04 -0.35 0.00 0.06 0.00 0.00 31.60 32.60 2jkp h MET 571 CO 0.09 0.85 -0.62 1.21 1.06 0.00 0.00 176.91 179.50 2jkp s ASN 572 N -6.24 1.21 0.58 1.22 2.47 -0.61 -4.46 114.94 109.11 2jkp s ASN 572 Ca -0.15 -0.09 0.28 0.00 0.42 0.00 0.00 52.86 53.32 2jkp s ASN 572 Cb 0.02 0.40 1.64 0.00 -1.45 0.00 0.00 41.25 41.86 2jkp s ASN 572 CO 0.74 -0.31 2.10 1.55 -3.72 0.00 0.00 177.10 177.46 2jkp h PRO 573 N 8.31 0.00 0.00 0.43 0.13 -1.81 -0.15 132.00 138.91 2jkp h PRO 573 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2jkp h PRO 573 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2jkp h PRO 573 CO 0.25 0.00 -0.07 0.00 -0.23 0.00 0.00 178.00 177.95 2jkp n ALA 574 N -2.35 2.49 -2.50 -0.56 0.00 -1.26 -4.70 120.51 111.62 2jkp n ALA 574 Ca 0.02 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 2jkp n ALA 574 Cb 0.33 -1.42 -0.08 0.00 0.00 0.00 0.00 19.45 18.27 2jkp n ALA 574 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2jkp s ASN 575 N -3.08 6.23 -0.18 0.00 3.84 -0.07 -4.93 114.94 116.75 2jkp s ASN 575 Ca 0.13 -0.49 0.15 0.00 0.21 0.00 0.00 52.86 52.86 2jkp s ASN 575 Cb 0.18 -2.24 0.75 0.00 -0.55 0.00 0.00 41.25 39.40 2jkp s ASN 575 CO 0.56 -0.57 1.66 0.59 -2.79 0.00 0.00 177.10 176.55 2jkp n ASN 576 N 5.68 5.17 -4.80 -4.21 3.02 -1.26 -1.92 115.26 116.95 2jkp n ASN 576 Ca -0.06 -2.70 -0.34 0.00 -0.03 0.00 0.00 54.58 51.44 2jkp n ASN 576 Cb 0.48 -0.64 -0.04 0.00 -0.61 0.00 0.00 39.78 38.97 2jkp n ASN 576 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2jkp s SER 577 N -0.79 6.46 -0.07 6.41 0.15 -1.26 -4.89 113.70 119.71 2jkp s SER 577 Ca 0.51 1.91 0.01 0.00 0.70 0.00 0.00 55.95 59.08 2jkp s SER 577 Cb 0.37 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 62.14 2jkp s SER 577 CO 0.19 -0.70 -0.08 -1.58 1.20 0.00 0.00 173.24 172.27 2jkp s GLN 578 N -3.16 1.32 0.17 5.44 0.74 -1.25 -1.55 119.66 121.37 2jkp s GLN 578 Ca 0.66 -0.25 -0.32 0.00 0.05 0.00 0.00 55.36 55.50 2jkp s GLN 578 Cb -0.16 -1.23 -0.11 0.00 1.10 0.00 0.00 33.01 32.62 2jkp s GLN 578 CO 0.20 -0.08 1.64 0.08 -0.55 0.00 0.00 175.29 176.58 2jkp s VAL 579 N 1.01 2.42 -1.55 1.34 1.01 0.23 -4.60 120.40 120.26 2jkp s VAL 579 Ca -0.09 0.28 -0.12 0.00 0.00 0.00 0.00 61.98 62.05 2jkp s VAL 579 Cb -0.15 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 2jkp s VAL 579 CO -0.00 0.02 2.61 0.54 0.00 0.00 0.00 175.10 178.27 2jkp n ARG 580 N 4.12 3.29 -3.53 2.72 3.00 -1.26 -4.84 116.66 120.16 2jkp n ARG 580 Ca 0.15 -2.40 -0.13 0.00 -0.01 0.00 0.00 57.85 55.46 2jkp n ARG 580 Cb 0.37 -3.04 -0.04 0.00 0.00 0.00 0.00 32.46 29.75 2jkp n ARG 580 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2jkp s SER 581 N 2.67 -0.47 0.54 0.55 0.15 -1.26 -4.73 113.70 111.14 2jkp s SER 581 Ca 0.59 0.10 -0.05 0.00 0.70 0.00 0.00 55.95 57.29 2jkp s SER 581 Cb 0.16 0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 64.99 2jkp s SER 581 CO -0.07 -0.81 0.83 0.42 1.20 0.00 0.00 173.24 174.82 2jkp s THR 582 N -2.93 4.08 0.16 6.45 -4.23 -0.72 -4.57 115.64 113.89 2jkp s THR 582 Ca -0.03 -0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.35 2jkp s THR 582 Cb -0.00 -3.58 0.06 0.00 1.34 0.00 0.00 72.50 70.31 2jkp s THR 582 CO -0.06 -0.57 1.74 0.40 -0.54 0.00 0.00 174.62 175.59 2jkp h ILE 583 N 0.02 1.21 -0.57 2.99 2.04 -1.05 -2.49 117.51 119.67 2jkp h ILE 583 Ca -0.46 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 64.80 2jkp h ILE 583 Cb 1.24 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 2jkp h ILE 583 CO 0.60 0.24 0.38 0.00 0.00 0.00 0.00 178.15 179.38 2jkp h ALA 584 N 1.09 1.65 -0.10 1.87 0.00 -1.86 -2.18 119.26 119.72 2jkp h ALA 584 Ca 0.19 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 2jkp h ALA 584 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2jkp h ALA 584 CO -0.02 0.31 -0.59 -0.09 0.00 0.00 0.00 179.25 178.86 2jkp h ARG 585 N 0.72 0.33 -0.97 0.00 1.12 -1.65 -2.07 114.38 111.86 2jkp h ARG 585 Ca 0.22 -0.22 0.07 0.00 -1.11 0.00 0.00 59.98 58.94 2jkp h ARG 585 Cb -0.00 0.03 -0.07 0.00 -0.01 0.00 0.00 29.97 29.92 2jkp h ARG 585 CO -0.05 0.82 0.62 1.96 -3.11 0.00 0.00 179.97 180.20 2jkp h GLN 586 N 0.24 1.08 -0.67 0.20 1.08 -1.05 -1.55 115.11 114.44 2jkp h GLN 586 Ca -0.00 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.07 2jkp h GLN 586 Cb 1.10 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 28.26 2jkp h GLN 586 CO 0.10 0.71 0.17 -0.07 -0.95 0.00 0.00 178.83 178.79 2jkp h LEU 587 N 1.11 1.02 -1.36 1.46 3.38 -1.16 -2.91 115.31 116.84 2jkp h LEU 587 Ca 0.42 -0.23 0.18 0.00 0.09 0.00 0.00 57.88 58.34 2jkp h LEU 587 Cb 0.19 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 2jkp h LEU 587 CO -0.18 0.98 0.59 0.00 0.09 0.00 0.00 178.44 179.92 2jkp h ALA 588 N 1.07 2.00 0.00 1.53 0.00 -0.59 -2.71 119.26 120.55 2jkp h ALA 588 Ca 0.21 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2jkp h ALA 588 Cb 0.36 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2jkp h ALA 588 CO 0.00 -0.28 -0.10 -0.07 0.00 0.00 0.00 179.25 178.80 2jkp h LEU 589 N 0.56 0.00 -0.19 0.00 3.38 -1.25 -0.29 115.31 117.51 2jkp h LEU 589 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 2jkp h LEU 589 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2jkp h LEU 589 CO -0.22 0.10 0.00 -1.22 0.09 0.00 0.00 178.44 177.19 2jkp n TYR 590 N -3.41 0.12 -0.01 1.13 4.01 -1.02 -1.07 117.16 116.91 2jkp n TYR 590 Ca -0.01 0.06 -0.01 0.00 -0.16 0.00 0.00 57.90 57.77 2jkp n TYR 590 Cb 0.27 -0.59 -0.01 0.00 -0.31 0.00 0.00 39.34 38.69 2jkp n TYR 590 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2jkp n VAL 591 N -1.62 0.12 0.84 -0.72 0.31 -0.33 -4.75 118.33 112.17 2jkp n VAL 591 Ca 0.01 -0.06 0.12 0.00 -0.01 0.00 0.00 64.34 64.41 2jkp n VAL 591 Cb 0.07 -0.75 0.31 0.00 -0.91 0.00 0.00 33.84 32.57 2jkp n VAL 591 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2jkp n THR 592 N -2.34 0.16 -3.89 2.52 -2.24 -0.27 -4.25 114.28 103.97 2jkp n THR 592 Ca -0.03 -0.11 -0.30 0.00 -2.27 0.00 0.00 64.05 61.34 2jkp n THR 592 Cb 0.55 -0.09 -0.12 0.00 -2.10 0.00 0.00 70.33 68.56 2jkp n THR 592 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2jkp s MET 593 N -3.06 2.32 0.22 -0.78 1.00 -0.23 -4.80 119.30 113.97 2jkp s MET 593 Ca 0.10 -2.97 -0.32 0.00 0.00 0.00 0.00 55.69 52.50 2jkp s MET 593 Cb 0.16 -3.44 -0.13 0.00 0.00 0.00 0.00 34.83 31.42 2jkp s MET 593 CO 0.66 -1.20 1.50 0.98 0.00 0.00 0.00 175.02 176.97 2jkp n TYR 594 N 2.61 2.33 -3.64 -0.03 9.36 -1.26 -4.77 117.16 121.75 2jkp n TYR 594 Ca 0.12 0.34 -0.08 0.00 3.32 0.00 0.00 57.90 61.60 2jkp n TYR 594 Cb 0.34 -2.52 -0.07 0.00 -0.63 0.00 0.00 39.34 36.47 2jkp n TYR 594 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2jkp s SER 595 N 0.55 -0.50 0.00 2.98 0.15 -1.26 -3.97 113.70 111.65 2jkp s SER 595 Ca 0.71 0.93 0.27 0.00 0.70 0.00 0.00 55.95 58.57 2jkp s SER 595 Cb -0.63 1.00 1.35 0.00 -1.71 0.00 0.00 66.02 66.03 2jkp s SER 595 CO 0.45 -0.16 1.93 -0.81 1.20 0.00 0.00 173.24 175.85 2jkp n PRO 596 N 2.58 0.33 -4.06 5.44 -0.04 -1.26 -4.50 135.00 133.48 2jkp n PRO 596 Ca -0.14 0.03 -0.32 0.00 -0.04 0.00 0.00 63.50 63.03 2jkp n PRO 596 Cb 0.56 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.37 2jkp n PRO 596 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2jkp s LEU 597 N -2.64 3.39 -0.19 1.53 2.96 -1.26 -1.06 118.68 121.41 2jkp s LEU 597 Ca 0.24 -1.38 0.00 0.00 -0.22 0.00 0.00 54.13 52.77 2jkp s LEU 597 Cb 0.18 -1.53 0.04 0.00 0.50 0.00 0.00 46.19 45.38 2jkp s LEU 597 CO 0.43 -0.19 -0.10 -1.10 -1.32 0.00 0.00 176.35 174.08 2jkp s GLN 598 N 1.12 1.93 0.17 1.98 -1.52 -0.47 -4.71 119.66 118.15 2jkp s GLN 598 Ca -0.09 -0.74 -0.17 0.00 -1.95 0.00 0.00 55.36 52.42 2jkp s GLN 598 Cb -0.20 -2.29 -0.07 0.00 -0.22 0.00 0.00 33.01 30.23 2jkp s GLN 598 CO -0.05 -0.41 0.62 1.41 -0.25 0.00 0.00 175.29 176.61 2jkp s MET 599 N 1.46 4.11 -0.48 2.91 1.75 -1.26 -0.93 119.30 126.86 2jkp s MET 599 Ca -0.00 0.66 -0.15 0.00 -1.25 0.00 0.00 55.69 54.96 2jkp s MET 599 Cb -0.16 -2.94 0.09 0.00 2.84 0.00 0.00 34.83 34.66 2jkp s MET 599 CO -0.08 0.46 0.40 0.00 -0.65 0.00 0.00 175.02 175.14 2jkp s ALA 600 N -1.46 3.54 -0.81 4.11 0.00 0.83 -3.96 121.76 124.00 2jkp s ALA 600 Ca 0.39 -2.22 0.25 0.00 0.00 0.00 0.00 51.96 50.38 2jkp s ALA 600 Cb -0.16 -3.05 0.42 0.00 0.00 0.00 0.00 23.12 20.33 2jkp s ALA 600 CO 0.20 -1.78 1.35 0.00 0.00 0.00 0.00 175.76 175.53 2jkp n ALA 601 N 5.16 3.23 -1.83 0.00 0.00 -1.02 -4.37 120.51 121.68 2jkp n ALA 601 Ca -0.12 -0.30 -0.29 0.00 0.00 0.00 0.00 53.44 52.72 2jkp n ALA 601 Cb 0.43 -1.14 0.08 0.00 0.00 0.00 0.00 19.45 18.82 2jkp n ALA 601 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jkp s ASP 602 N -3.61 4.65 0.41 0.00 -1.08 -1.24 -4.42 116.67 111.37 2jkp s ASP 602 Ca 0.08 0.93 -0.16 0.00 -0.52 0.00 0.00 52.55 52.89 2jkp s ASP 602 Cb 0.15 -1.53 -0.09 0.00 -1.46 0.00 0.00 42.92 40.00 2jkp s ASP 602 CO 0.71 -1.83 0.85 0.27 0.52 0.00 0.00 175.17 175.69 2jkp s ILE 603 N -3.46 4.60 0.21 4.11 -4.36 -1.26 -4.85 121.20 116.19 2jkp s ILE 603 Ca 0.61 1.06 -0.11 0.00 -0.26 0.00 0.00 60.65 61.96 2jkp s ILE 603 Cb -0.12 -3.66 0.16 0.00 1.25 0.00 0.00 42.46 40.10 2jkp s ILE 603 CO 0.51 -0.40 1.69 -0.65 0.24 0.00 0.00 174.94 176.33 2jkp h PRO 604 N 1.67 0.19 -0.49 0.37 0.11 -1.96 -0.54 132.00 131.36 2jkp h PRO 604 Ca -0.48 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.70 2jkp h PRO 604 Cb 1.18 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 2jkp h PRO 604 CO 0.63 0.12 0.33 1.49 -0.21 0.00 0.00 178.00 180.36 2jkp h GLU 605 N 0.19 0.34 -0.35 1.05 4.81 -1.98 -0.60 114.58 118.04 2jkp h GLU 605 Ca 0.31 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.38 2jkp h GLU 605 Cb 0.47 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2jkp h GLU 605 CO -0.44 0.22 -0.34 -0.91 -0.73 0.00 0.00 179.01 176.82 2jkp h ASN 606 N 0.35 0.83 -0.26 1.04 2.35 -1.49 -2.87 115.58 115.53 2jkp h ASN 606 Ca 0.22 -0.35 -0.12 0.00 -0.55 0.00 0.00 56.30 55.50 2jkp h ASN 606 Cb 0.42 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2jkp h ASN 606 CO -0.05 1.09 -0.25 1.88 -1.65 0.00 0.00 177.43 178.44 2jkp h TYR 607 N 0.66 0.85 0.00 1.19 0.05 -0.89 -2.71 116.97 116.12 2jkp h TYR 607 Ca 0.07 -0.20 0.00 0.00 0.05 0.00 0.00 58.73 58.64 2jkp h TYR 607 Cb 0.88 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.42 2jkp h TYR 607 CO 0.05 0.92 0.00 0.39 -1.05 0.00 0.00 178.16 178.47 2jkp n GLU 608 N -4.10 0.06 0.05 4.88 1.02 -0.39 -0.20 120.64 121.95 2jkp n GLU 608 Ca -0.00 0.42 0.12 0.00 -0.02 0.00 0.00 57.16 57.68 2jkp n GLU 608 Cb 0.45 -1.64 0.22 0.00 -0.02 0.00 0.00 31.44 30.45 2jkp n GLU 608 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2jkp n ARG 609 N -1.75 0.21 -2.68 3.49 0.63 -1.02 -4.37 116.66 111.17 2jkp n ARG 609 Ca 0.01 0.07 -0.10 0.00 -0.92 0.00 0.00 57.85 56.91 2jkp n ARG 609 Cb 0.11 -1.64 0.03 0.00 0.45 0.00 0.00 32.46 31.40 2jkp n ARG 609 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2jkp n PHE 610 N -1.95 1.18 0.26 -0.14 3.72 0.72 -4.93 117.46 116.32 2jkp n PHE 610 Ca 0.04 -2.84 0.15 0.00 -0.05 0.00 0.00 57.45 54.75 2jkp n PHE 610 Cb 0.41 -0.37 0.56 0.00 -0.94 0.00 0.00 39.48 39.14 2jkp n PHE 610 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 2jkp h MET 611 N 2.99 0.00 -0.33 -1.08 2.86 -1.69 -1.64 114.93 116.04 2jkp h MET 611 Ca -0.08 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.39 2jkp h MET 611 Cb 1.16 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.82 2jkp h MET 611 CO 0.51 0.06 -0.47 0.38 1.06 0.00 0.00 176.91 178.45 2jkp h ASP 612 N 0.00 0.96 -0.28 1.22 2.03 -1.91 -2.88 116.42 115.55 2jkp h ASP 612 Ca -0.00 -0.48 -0.16 0.00 -0.73 0.00 0.00 57.03 55.66 2jkp h ASP 612 Cb 0.63 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.86 2jkp h ASP 612 CO 0.01 1.27 -0.43 0.00 -1.03 0.00 0.00 179.24 179.06 2jkp h ALA 613 N 0.76 0.61 -0.21 4.15 0.00 -1.74 -3.07 119.26 119.76 2jkp h ALA 613 Ca 0.04 -0.47 0.06 0.00 0.00 0.00 0.00 54.91 54.54 2jkp h ALA 613 Cb 1.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2jkp h ALA 613 CO 0.11 0.67 0.31 0.35 0.00 0.00 0.00 179.25 180.69 2jkp h PHE 614 N 0.68 0.00 -0.48 0.00 3.57 -1.21 -1.51 116.94 117.99 2jkp h PHE 614 Ca 0.05 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.60 2jkp h PHE 614 Cb 1.01 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 2jkp h PHE 614 CO 0.06 0.00 0.32 0.37 -2.23 0.00 0.00 178.31 176.83 2jkp h GLN 615 N 0.00 0.44 -0.74 1.11 5.75 -1.41 -0.75 115.11 119.51 2jkp h GLN 615 Ca 0.10 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.54 2jkp h GLN 615 Cb 0.72 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.14 2jkp h GLN 615 CO -0.00 0.29 0.33 0.35 -2.65 0.00 0.00 178.83 177.15 2jkp h PHE 616 N 0.46 1.10 -0.46 3.99 3.57 -1.50 -1.83 116.94 122.28 2jkp h PHE 616 Ca 0.21 -0.07 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 2jkp h PHE 616 Cb 0.24 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 2jkp h PHE 616 CO -0.00 0.83 -0.10 0.82 -2.23 0.00 0.00 178.31 177.63 2jkp h ILE 617 N 1.05 1.26 -0.65 1.41 2.04 -1.32 0.08 117.51 121.38 2jkp h ILE 617 Ca 0.25 -1.17 -0.04 0.00 1.00 0.00 0.00 64.86 64.90 2jkp h ILE 617 Cb 0.17 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 2jkp h ILE 617 CO -0.03 0.40 0.23 0.11 0.00 0.00 0.00 178.15 178.87 2jkp h LYS 618 N 0.74 0.97 0.23 2.37 1.57 -1.23 -3.29 116.57 117.93 2jkp h LYS 618 Ca 0.13 -0.17 -0.33 0.00 -1.87 0.00 0.00 60.65 58.40 2jkp h LYS 618 Cb 0.59 -0.16 0.03 0.00 0.08 0.00 0.00 32.23 32.77 2jkp h LYS 618 CO 0.04 0.81 -1.49 -0.44 -0.57 0.00 0.00 179.45 177.80 2jkp h ASP 619 N 0.95 0.76 -3.55 0.86 5.19 -0.78 -3.47 116.42 116.37 2jkp h ASP 619 Ca 0.22 -0.93 -0.56 0.00 -0.62 0.00 0.00 57.03 55.14 2jkp h ASP 619 Cb 0.22 -0.25 0.12 0.00 0.18 0.00 0.00 39.33 39.60 2jkp h ASP 619 CO -0.01 1.71 0.55 0.55 -3.12 0.00 0.00 179.24 178.91 2jkp n VAL 620 N -3.73 2.32 -2.28 -1.35 3.14 -0.03 -5.00 118.33 111.39 2jkp n VAL 620 Ca -0.19 -0.50 -0.27 0.00 -2.96 0.00 0.00 64.34 60.43 2jkp n VAL 620 Cb 1.07 -1.65 0.15 0.00 -1.06 0.00 0.00 33.84 32.35 2jkp n VAL 620 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jkp s ALA 621 N -1.15 3.01 0.00 1.55 0.00 -1.26 -5.02 121.76 118.89 2jkp s ALA 621 Ca 0.58 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2jkp s ALA 621 Cb -0.52 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.24 2jkp s ALA 621 CO 0.60 -1.93 0.25 1.28 0.00 0.00 0.00 175.76 175.96 2jkp n LEU 622 N -3.28 0.49 -3.75 0.00 4.77 -1.26 -5.00 117.00 108.96 2jkp n LEU 622 Ca 0.15 -0.56 -0.13 0.00 -0.03 0.00 0.00 56.01 55.44 2jkp n LEU 622 Cb 0.60 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.60 2jkp n LEU 622 CO 0.44 0.12 0.03 -0.62 -1.33 0.00 0.00 177.39 176.03 2jkp s ASP 623 N -0.14 -0.28 0.00 -1.43 2.15 -1.26 -4.24 116.67 111.48 2jkp s ASP 623 Ca 0.00 0.39 0.02 0.00 0.43 0.00 0.00 52.55 53.39 2jkp s ASP 623 Cb 0.00 0.51 -0.01 0.00 -0.30 0.00 0.00 42.92 43.12 2jkp s ASP 623 CO 0.00 -0.30 -0.06 0.26 -0.17 0.00 0.00 175.17 174.90 2jkp s TRP 624 N -0.61 0.55 -0.13 -5.34 0.52 -1.08 -1.47 118.94 111.38 2jkp s TRP 624 Ca -0.07 -0.16 0.17 0.00 0.02 0.00 0.00 56.10 56.06 2jkp s TRP 624 Cb -0.04 -0.35 -0.11 0.00 -1.15 0.00 0.00 33.47 31.83 2jkp s TRP 624 CO 0.03 -0.02 0.90 -0.44 0.02 0.00 0.00 176.95 177.44 2jkp h ASP 625 N 5.78 0.00 -4.92 2.95 3.32 -1.09 -3.24 116.42 119.23 2jkp h ASP 625 Ca -0.29 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.65 2jkp h ASP 625 Cb 1.19 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.54 2jkp h ASP 625 CO 0.49 0.55 -0.18 -1.61 -1.72 0.00 0.00 179.24 176.77 2jkp s GLU 626 N -2.94 0.74 -0.01 3.56 2.02 -1.25 -1.24 118.70 119.57 2jkp s GLU 626 Ca -0.02 -0.05 0.03 0.00 0.02 0.00 0.00 54.97 54.95 2jkp s GLU 626 Cb 0.09 0.33 -0.01 0.00 0.10 0.00 0.00 34.13 34.64 2jkp s GLU 626 CO 0.80 -0.20 -0.11 0.99 0.02 0.00 0.00 175.26 176.76 2jkp s THR 627 N -1.20 0.91 -0.13 3.63 2.01 -1.11 -0.13 115.64 119.62 2jkp s THR 627 Ca -0.12 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.40 2jkp s THR 627 Cb -0.04 -0.77 0.02 0.00 0.01 0.00 0.00 72.50 71.73 2jkp s THR 627 CO 0.05 0.26 -0.12 0.20 -0.69 0.00 0.00 174.62 174.33 2jkp s ASN 628 N -0.17 2.48 -0.78 3.53 -0.87 0.18 -4.99 114.94 114.32 2jkp s ASN 628 Ca 0.03 -0.41 -0.23 0.00 -1.57 0.00 0.00 52.86 50.67 2jkp s ASN 628 Cb -0.05 -1.05 0.07 0.00 -0.02 0.00 0.00 41.25 40.20 2jkp s ASN 628 CO -0.00 -0.07 1.14 -0.31 -2.57 0.00 0.00 177.10 175.28 2jkp s TYR 629 N 1.53 2.64 -0.05 2.20 2.02 -1.26 -0.97 117.35 123.46 2jkp s TYR 629 Ca 0.04 -0.63 -0.14 0.00 -0.37 0.00 0.00 57.07 55.97 2jkp s TYR 629 Cb -0.13 -4.43 -0.09 0.00 -0.40 0.00 0.00 41.96 36.92 2jkp s TYR 629 CO -0.09 -1.76 0.59 -0.07 -1.57 0.00 0.00 175.55 172.64 2jkp h LEU 630 N 11.78 -0.36 -8.60 -1.29 3.38 -1.30 -3.46 115.31 115.46 2jkp h LEU 630 Ca -0.14 -0.05 -0.38 0.00 0.09 0.00 0.00 57.88 57.41 2jkp h LEU 630 Cb 1.05 0.09 -0.17 0.00 0.09 0.00 0.00 40.66 41.72 2jkp h LEU 630 CO 1.23 0.10 -0.74 -1.61 0.09 0.00 0.00 178.44 177.51 2jkp s GLU 631 N -3.11 1.01 -0.29 1.13 2.02 -1.02 -4.99 118.70 113.44 2jkp s GLU 631 Ca -0.08 -1.28 -0.15 0.00 0.02 0.00 0.00 54.97 53.48 2jkp s GLU 631 Cb 0.01 -0.78 0.14 0.00 0.10 0.00 0.00 34.13 33.60 2jkp s GLU 631 CO 0.25 0.13 0.93 0.00 0.02 0.00 0.00 175.26 176.59 2jkp s ALA 632 N -2.49 -2.35 -0.15 5.21 0.00 -1.26 -0.24 121.76 120.48 2jkp s ALA 632 Ca 0.10 2.19 -0.04 0.00 0.00 0.00 0.00 51.96 54.21 2jkp s ALA 632 Cb -0.03 -1.79 0.07 0.00 0.00 0.00 0.00 23.12 21.37 2jkp s ALA 632 CO 0.02 -0.58 0.26 -2.00 0.00 0.00 0.00 175.76 173.46 2jkp s GLU 633 N 1.83 0.17 0.29 0.00 2.56 -0.09 -4.34 118.70 119.12 2jkp s GLU 633 Ca -0.07 0.61 -0.30 0.00 0.00 0.00 0.00 54.97 55.21 2jkp s GLU 633 Cb -0.05 -0.32 -0.12 0.00 2.00 0.00 0.00 34.13 35.63 2jkp s GLU 633 CO -0.16 -0.39 1.44 -2.30 -0.56 0.00 0.00 175.26 173.28 2jkp n PRO 634 N 5.34 2.28 -0.11 4.30 -0.01 -1.26 -0.61 135.00 144.94 2jkp n PRO 634 Ca -0.06 0.81 0.00 0.00 -0.01 0.00 0.00 63.50 64.24 2jkp n PRO 634 Cb 0.50 -2.49 0.00 0.00 -0.01 0.00 0.00 33.50 31.50 2jkp n PRO 634 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 2jkp n GLY 635 N 1.73 2.27 1.10 -1.23 0.00 -0.98 -4.80 105.19 103.29 2jkp n GLY 635 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2jkp n GLY 635 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jkp n GLU 636 N -2.00 0.00 -3.64 1.61 -0.58 0.22 -4.56 120.64 111.69 2jkp n GLU 636 Ca 0.00 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.59 2jkp n GLU 636 Cb 0.00 -0.47 -0.08 0.00 -0.57 0.00 0.00 31.44 30.32 2jkp n GLU 636 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 2jkp s TYR 637 N -2.00 -0.58 -0.02 -0.32 -0.85 -0.94 0.19 117.35 112.83 2jkp s TYR 637 Ca 0.00 1.26 0.00 0.00 -0.52 0.00 0.00 57.07 57.82 2jkp s TYR 637 Cb 0.00 0.26 0.02 0.00 0.38 0.00 0.00 41.96 42.61 2jkp s TYR 637 CO 0.00 -0.41 0.00 0.42 -1.52 0.00 0.00 175.55 174.04 2jkp s ILE 638 N -0.35 0.11 -0.07 -3.49 1.01 -0.25 -0.92 121.20 117.24 2jkp s ILE 638 Ca -0.05 0.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.65 2jkp s ILE 638 Cb -0.03 -0.18 0.03 0.00 0.01 0.00 0.00 42.46 42.28 2jkp s ILE 638 CO 0.04 0.10 -0.02 -0.89 0.00 0.00 0.00 174.94 174.17 2jkp s THR 639 N 0.67 0.50 0.02 2.92 2.01 0.67 -1.35 115.64 121.08 2jkp s THR 639 Ca -0.06 0.03 0.03 0.00 0.31 0.00 0.00 61.69 61.99 2jkp s THR 639 Cb -0.09 -0.62 -0.02 0.00 0.01 0.00 0.00 72.50 71.78 2jkp s THR 639 CO -0.01 0.27 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.48 2jkp s ILE 640 N 1.80 0.63 -0.06 1.82 1.01 -0.37 -0.74 121.20 125.30 2jkp s ILE 640 Ca 0.03 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 60.02 2jkp s ILE 640 Cb -0.13 -0.60 -0.00 0.00 0.01 0.00 0.00 42.46 41.74 2jkp s ILE 640 CO -0.05 -0.08 -0.18 0.00 0.00 0.00 0.00 174.94 174.63 2jkp s ALA 641 N -0.73 1.64 0.07 9.38 0.00 -0.15 -1.01 121.76 130.96 2jkp s ALA 641 Ca -0.02 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.26 2jkp s ALA 641 Cb -0.06 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 2jkp s ALA 641 CO 0.00 0.27 -0.12 1.03 0.00 0.00 0.00 175.76 176.94 2jkp s ARG 642 N 0.15 0.76 -0.41 0.00 0.52 0.17 0.49 118.95 120.63 2jkp s ARG 642 Ca -0.07 -0.95 -0.15 0.00 -0.52 0.00 0.00 55.73 54.04 2jkp s ARG 642 Cb -0.13 -0.66 0.02 0.00 0.52 0.00 0.00 34.95 34.69 2jkp s ARG 642 CO 0.03 0.14 0.31 0.21 0.02 0.00 0.00 175.30 176.01 2jkp s LYS 643 N -1.89 3.02 -0.04 3.54 2.20 0.82 -1.23 119.74 126.16 2jkp s LYS 643 Ca -0.02 -0.97 -0.37 0.00 -0.36 0.00 0.00 55.97 54.25 2jkp s LYS 643 Cb -0.09 -3.97 -0.15 0.00 -1.51 0.00 0.00 37.83 32.12 2jkp s LYS 643 CO 0.02 -0.74 1.61 0.00 -0.36 0.00 0.00 175.35 175.88 2jkp n ALA 644 N 5.20 0.09 -1.62 3.13 0.00 -0.38 -0.61 120.51 126.31 2jkp n ALA 644 Ca -0.11 0.42 -0.45 0.00 0.00 0.00 0.00 53.44 53.30 2jkp n ALA 644 Cb 0.47 -2.26 -0.02 0.00 0.00 0.00 0.00 19.45 17.64 2jkp n ALA 644 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2jkp n LYS 645 N 4.34 1.59 -2.19 0.00 4.81 -0.54 -1.68 118.16 124.49 2jkp n LYS 645 Ca 0.21 0.56 -0.17 0.00 -0.87 0.00 0.00 58.31 58.05 2jkp n LYS 645 Cb 0.21 -2.06 -0.02 0.00 0.02 0.00 0.00 35.03 33.18 2jkp n LYS 645 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2jkp n ASP 646 N 1.53 -4.85 -3.83 3.14 8.00 -1.26 -4.94 116.55 114.33 2jkp n ASP 646 Ca 0.10 0.17 -0.24 0.00 0.71 0.00 0.00 54.79 55.53 2jkp n ASP 646 Cb 0.31 -4.14 -0.08 0.00 -0.02 0.00 0.00 41.12 37.19 2jkp n ASP 646 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2jkp s THR 647 N -2.74 0.36 -0.74 -3.53 -4.23 -0.68 -5.04 115.64 99.04 2jkp s THR 647 Ca 0.00 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.59 2jkp s THR 647 Cb 0.00 -2.35 0.19 0.00 1.34 0.00 0.00 72.50 71.67 2jkp s THR 647 CO 0.00 0.00 1.09 0.47 -0.54 0.00 0.00 174.62 175.64 2jkp n ASP 648 N -1.47 2.45 -4.84 3.99 8.00 -1.26 -4.76 116.55 118.66 2jkp n ASP 648 Ca -0.02 -1.86 -0.37 0.00 0.71 0.00 0.00 54.79 53.25 2jkp n ASP 648 Cb 0.64 -0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.55 2jkp n ASP 648 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2jkp s ASP 649 N -0.93 6.84 0.16 -2.24 1.01 -1.26 -4.30 116.67 115.95 2jkp s ASP 649 Ca 0.15 1.02 0.08 0.00 0.71 0.00 0.00 52.55 54.51 2jkp s ASP 649 Cb 0.08 -2.27 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 2jkp s ASP 649 CO 0.11 0.24 -0.06 0.26 0.21 0.00 0.00 175.17 175.93 2jkp s TRP 650 N -1.22 2.73 -0.04 4.23 0.52 0.46 -1.26 118.94 124.37 2jkp s TRP 650 Ca 0.29 -0.17 0.03 0.00 0.02 0.00 0.00 56.10 56.27 2jkp s TRP 650 Cb -0.16 -1.36 0.01 0.00 -1.15 0.00 0.00 33.47 30.80 2jkp s TRP 650 CO 0.17 0.49 -0.11 0.71 0.02 0.00 0.00 176.95 178.22 2jkp s TYR 651 N -1.59 1.23 -0.04 -1.98 2.02 -0.36 -0.49 117.35 116.14 2jkp s TYR 651 Ca 0.25 -0.36 0.06 0.00 -0.37 0.00 0.00 57.07 56.64 2jkp s TYR 651 Cb -0.10 -0.88 -0.01 0.00 -0.40 0.00 0.00 41.96 40.58 2jkp s TYR 651 CO 0.16 -0.16 -0.21 0.08 -1.57 0.00 0.00 175.55 173.85 2jkp s VAL 652 N 0.32 1.71 0.04 0.71 1.01 -0.16 -0.66 120.40 123.38 2jkp s VAL 652 Ca -0.07 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.05 2jkp s VAL 652 Cb -0.11 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 2jkp s VAL 652 CO 0.02 0.48 -0.09 -0.83 0.00 0.00 0.00 175.10 174.68 2jkp s GLY 653 N -0.19 0.56 -0.04 4.51 0.00 -0.18 -0.62 107.32 111.36 2jkp s GLY 653 Ca -0.00 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 43.98 2jkp s GLY 653 CO 0.02 -0.78 -0.01 0.00 0.00 0.00 0.00 173.10 172.33 2jkp s THR 655 N 1.29 2.44 0.06 0.00 -1.32 -0.46 -2.17 115.64 115.48 2jkp s THR 655 Ca -0.06 -1.08 -0.00 0.00 -1.21 0.00 0.00 61.69 59.34 2jkp s THR 655 Cb -0.13 -1.92 -0.04 0.00 -1.51 0.00 0.00 72.50 68.89 2jkp s THR 655 CO -0.02 0.50 -0.04 0.00 -2.21 0.00 0.00 174.62 172.85 2jkp s ALA 656 N -0.73 0.63 0.07 11.08 0.00 -0.46 -1.09 121.76 131.26 2jkp s ALA 656 Ca 0.11 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.85 2jkp s ALA 656 Cb -0.10 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.25 2jkp s ALA 656 CO 0.01 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.86 2jkp n GLY 657 N 0.13 1.39 0.23 0.00 0.00 0.13 -3.65 105.19 103.42 2jkp n GLY 657 Ca -0.14 -1.56 0.10 0.00 0.00 0.00 0.00 46.02 44.42 2jkp n GLY 657 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jkp h GLU 658 N 0.00 0.00 -0.50 1.61 4.81 -1.86 -1.29 114.58 117.35 2jkp h GLU 658 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2jkp h GLU 658 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2jkp h GLU 658 CO 0.00 0.21 0.00 0.09 -0.73 0.00 0.00 179.01 178.58 2jkp n ASN 659 N -3.56 3.34 -0.39 1.04 5.03 -1.26 -4.64 115.26 114.82 2jkp n ASN 659 Ca -0.01 -2.00 0.00 0.00 0.87 0.00 0.00 54.58 53.45 2jkp n ASN 659 Cb 0.36 -0.33 0.00 0.00 -1.02 0.00 0.00 39.78 38.78 2jkp n ASN 659 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jkp n GLY 660 N 0.98 -0.97 3.55 7.41 0.00 -0.97 -4.76 105.19 110.43 2jkp n GLY 660 Ca 0.17 -1.13 -0.15 0.00 0.00 0.00 0.00 46.02 44.92 2jkp n GLY 660 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jkp s HIS 661 N 0.00 -0.56 -0.18 1.61 2.46 -0.48 -4.58 115.29 113.57 2jkp s HIS 661 Ca 0.00 1.01 -0.00 0.00 0.47 0.00 0.00 55.06 56.54 2jkp s HIS 661 Cb 0.00 0.41 0.01 0.00 -0.13 0.00 0.00 32.58 32.87 2jkp s HIS 661 CO 0.00 -0.48 -0.15 0.99 -2.47 0.00 0.00 174.74 172.63 2jkp s THR 662 N -0.99 2.57 -0.09 0.89 2.01 -1.26 -0.29 115.64 118.49 2jkp s THR 662 Ca -0.06 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.14 2jkp s THR 662 Cb -0.01 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 2jkp s THR 662 CO 0.06 0.50 -0.00 -0.44 -0.69 0.00 0.00 174.62 174.05 2jkp s SER 663 N 1.18 5.19 -0.67 3.53 0.01 -0.09 -5.00 113.70 117.85 2jkp s SER 663 Ca 0.02 0.12 -0.06 0.00 1.31 0.00 0.00 55.95 57.34 2jkp s SER 663 Cb -0.14 -1.46 0.17 0.00 0.21 0.00 0.00 66.02 64.80 2jkp s SER 663 CO -0.06 0.37 0.52 -0.54 0.41 0.00 0.00 173.24 173.94 2jkp s LYS 664 N -0.83 2.84 0.47 12.44 1.02 -1.26 -1.38 119.74 133.04 2jkp s LYS 664 Ca 0.13 -2.45 -0.20 0.00 0.02 0.00 0.00 55.97 53.47 2jkp s LYS 664 Cb -0.11 -3.94 -0.09 0.00 -0.52 0.00 0.00 37.83 33.16 2jkp s LYS 664 CO 0.02 -1.21 0.98 -0.51 -0.92 0.00 0.00 175.35 173.72 2jkp s LEU 665 N 0.12 3.84 -0.06 3.17 1.43 0.79 -4.91 118.68 123.04 2jkp s LEU 665 Ca 0.16 1.72 -0.03 0.00 -1.03 0.00 0.00 54.13 54.96 2jkp s LEU 665 Cb -0.18 -4.54 0.04 0.00 0.03 0.00 0.00 46.19 41.54 2jkp s LEU 665 CO -0.05 -0.53 0.13 -0.69 0.23 0.00 0.00 176.35 175.44 2jkp s VAL 666 N -2.24 -0.06 -0.43 -1.59 1.01 -1.26 -1.79 120.40 114.04 2jkp s VAL 666 Ca 0.63 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.84 2jkp s VAL 666 Cb -0.11 -0.23 0.48 0.00 0.00 0.00 0.00 36.38 36.52 2jkp s VAL 666 CO 0.19 0.08 1.57 0.49 0.00 0.00 0.00 175.10 177.43 2jkp n PHE 667 N 4.27 2.57 0.63 5.22 3.72 -1.19 -4.68 117.46 128.00 2jkp n PHE 667 Ca -0.25 -2.35 0.06 0.00 -0.05 0.00 0.00 57.45 54.85 2jkp n PHE 667 Cb 0.51 -0.78 0.32 0.00 -0.94 0.00 0.00 39.48 38.59 2jkp n PHE 667 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2jkp n ASP 668 N -0.89 0.00 0.10 4.37 5.68 -1.25 -2.04 116.55 122.53 2jkp n ASP 668 Ca 0.49 -0.05 0.13 0.00 -0.50 0.00 0.00 54.79 54.86 2jkp n ASP 668 Cb 0.91 -0.19 0.44 0.00 -1.14 0.00 0.00 41.12 41.13 2jkp n ASP 668 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 2jkp n PHE 669 N -1.19 0.84 -2.41 2.11 1.16 -1.26 -4.84 117.46 111.86 2jkp n PHE 669 Ca 0.07 0.27 -0.36 0.00 -1.87 0.00 0.00 57.45 55.56 2jkp n PHE 669 Cb 0.08 -0.93 -0.02 0.00 -1.61 0.00 0.00 39.48 36.99 2jkp n PHE 669 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2jkp s LEU 670 N -4.41 3.97 -0.01 5.98 1.43 -0.87 -4.96 118.68 119.80 2jkp s LEU 670 Ca 0.09 2.11 -0.30 0.00 -1.03 0.00 0.00 54.13 55.00 2jkp s LEU 670 Cb 0.12 -4.36 -0.07 0.00 0.03 0.00 0.00 46.19 41.91 2jkp s LEU 670 CO 0.54 -0.81 1.70 -0.89 0.23 0.00 0.00 176.35 177.12 2jkp s THR 671 N -1.72 3.38 0.48 5.49 2.01 -1.26 -4.64 115.64 119.38 2jkp s THR 671 Ca 0.64 0.56 -0.23 0.00 0.31 0.00 0.00 61.69 62.97 2jkp s THR 671 Cb -0.23 -3.36 -0.08 0.00 0.01 0.00 0.00 72.50 68.84 2jkp s THR 671 CO 0.28 -0.04 1.10 -2.65 -0.69 0.00 0.00 174.62 172.62 2jkp n PRO 672 N 6.83 1.42 0.00 4.92 -0.02 -1.26 -2.44 135.00 144.45 2jkp n PRO 672 Ca 0.17 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2jkp n PRO 672 Cb 0.42 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2jkp n PRO 672 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jkp n GLY 673 N 1.07 2.28 3.84 -1.23 0.00 -1.26 -5.01 105.19 104.87 2jkp n GLY 673 Ca 0.10 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 2jkp n GLY 673 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jkp s LYS 674 N 0.00 2.94 0.15 1.61 1.02 -1.02 -5.09 119.74 119.35 2jkp s LYS 674 Ca 0.00 0.77 0.11 0.00 0.02 0.00 0.00 55.97 56.87 2jkp s LYS 674 Cb 0.00 -2.00 -0.04 0.00 -0.52 0.00 0.00 37.83 35.26 2jkp s LYS 674 CO 0.00 -1.05 -0.24 -0.65 -0.92 0.00 0.00 175.35 172.49 2jkp s GLN 675 N -5.14 1.52 -0.00 1.68 -1.52 -1.26 -4.65 119.66 110.29 2jkp s GLN 675 Ca 0.58 -1.37 0.02 0.00 -1.95 0.00 0.00 55.36 52.64 2jkp s GLN 675 Cb -0.13 -1.93 -0.01 0.00 -0.22 0.00 0.00 33.01 30.72 2jkp s GLN 675 CO 0.54 0.44 -0.08 0.71 -0.25 0.00 0.00 175.29 176.65 2jkp s TYR 676 N -1.27 0.70 -0.29 0.91 2.02 0.00 -1.31 117.35 118.11 2jkp s TYR 676 Ca 0.17 -0.15 -0.19 0.00 -0.37 0.00 0.00 57.07 56.53 2jkp s TYR 676 Cb -0.09 -0.45 -0.02 0.00 -0.40 0.00 0.00 41.96 41.00 2jkp s TYR 676 CO 0.08 -0.01 0.56 0.42 -1.57 0.00 0.00 175.55 175.03 2jkp s ILE 677 N -0.25 5.01 -0.12 2.71 1.01 0.11 -0.45 121.20 129.21 2jkp s ILE 677 Ca 0.02 0.79 -0.01 0.00 0.00 0.00 0.00 60.65 61.45 2jkp s ILE 677 Cb -0.03 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 2jkp s ILE 677 CO -0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 174.94 174.82 2jkp s ALA 678 N 2.44 2.93 -0.21 9.38 0.00 0.10 -1.37 121.76 135.04 2jkp s ALA 678 Ca 0.22 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.34 2jkp s ALA 678 Cb -0.15 -1.38 0.03 0.00 0.00 0.00 0.00 23.12 21.61 2jkp s ALA 678 CO 0.11 0.35 -0.15 0.99 0.00 0.00 0.00 175.76 177.05 2jkp s THR 679 N -0.06 2.24 -0.26 0.00 2.01 -0.02 -0.88 115.64 118.67 2jkp s THR 679 Ca 0.01 -1.11 -0.10 0.00 0.31 0.00 0.00 61.69 60.79 2jkp s THR 679 Cb -0.13 -2.07 -0.05 0.00 0.01 0.00 0.00 72.50 70.26 2jkp s THR 679 CO 0.03 0.35 0.17 -0.69 -0.69 0.00 0.00 174.62 173.79 2jkp s VAL 680 N 1.25 5.27 -0.37 3.82 1.01 0.23 -1.41 120.40 130.21 2jkp s VAL 680 Ca 0.01 0.15 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 2jkp s VAL 680 Cb -0.15 -3.48 0.07 0.00 0.00 0.00 0.00 36.38 32.81 2jkp s VAL 680 CO -0.10 0.31 0.14 -0.31 0.00 0.00 0.00 175.10 175.14 2jkp s TYR 681 N 1.37 3.34 0.36 5.22 2.02 0.90 -1.20 117.35 129.36 2jkp s TYR 681 Ca 0.07 -1.73 0.07 0.00 -0.37 0.00 0.00 57.07 55.11 2jkp s TYR 681 Cb -0.15 -2.60 -0.07 0.00 -0.40 0.00 0.00 41.96 38.74 2jkp s TYR 681 CO 0.07 -0.82 -0.01 0.00 -1.57 0.00 0.00 175.55 173.22 2jkp s ALA 682 N 1.33 2.87 0.37 3.71 0.00 -0.53 -0.87 121.76 128.64 2jkp s ALA 682 Ca 0.01 -2.17 -0.27 0.00 0.00 0.00 0.00 51.96 49.53 2jkp s ALA 682 Cb -0.21 0.22 -0.09 0.00 0.00 0.00 0.00 23.12 23.04 2jkp s ALA 682 CO 0.01 -0.11 1.25 -0.51 0.00 0.00 0.00 175.76 176.40 2jkp s ASP 683 N -3.61 6.56 0.68 0.00 1.01 -1.22 -0.81 116.67 119.27 2jkp s ASP 683 Ca 0.34 2.55 -0.11 0.00 0.71 0.00 0.00 52.55 56.04 2jkp s ASP 683 Cb 0.07 -2.63 -0.00 0.00 1.01 0.00 0.00 42.92 41.37 2jkp s ASP 683 CO 0.16 -0.66 1.06 0.00 0.21 0.00 0.00 175.17 175.94 2jkp s ALA 684 N -1.26 2.81 0.29 5.23 0.00 -0.46 -4.57 121.76 123.80 2jkp s ALA 684 Ca 0.54 -0.06 -0.29 0.00 0.00 0.00 0.00 51.96 52.15 2jkp s ALA 684 Cb -0.36 -3.12 -0.13 0.00 0.00 0.00 0.00 23.12 19.51 2jkp s ALA 684 CO 0.47 -1.07 1.28 1.17 0.00 0.00 0.00 175.76 177.60 2jkp n LYS 685 N -3.01 1.92 -1.02 0.00 3.00 -1.26 -1.00 118.16 116.80 2jkp n LYS 685 Ca 0.07 0.68 -0.01 0.00 -0.00 0.00 0.00 58.31 59.05 2jkp n LYS 685 Cb 0.54 -2.25 -0.00 0.00 0.00 0.00 0.00 35.03 33.32 2jkp n LYS 685 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2jkp n ASP 686 N 1.39 -4.54 -4.71 3.14 9.92 -1.26 -5.01 116.55 115.47 2jkp n ASP 686 Ca 0.08 0.02 -0.34 0.00 -0.53 0.00 0.00 54.79 54.02 2jkp n ASP 686 Cb 0.33 -2.10 0.11 0.00 -0.64 0.00 0.00 41.12 38.82 2jkp n ASP 686 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jkp s ALA 687 N -1.53 2.02 -0.29 2.24 0.00 -0.17 -4.71 121.76 119.33 2jkp s ALA 687 Ca 0.00 0.90 -0.16 0.00 0.00 0.00 0.00 51.96 52.70 2jkp s ALA 687 Cb 0.00 -3.49 0.12 0.00 0.00 0.00 0.00 23.12 19.75 2jkp s ALA 687 CO 0.00 -2.03 0.88 0.34 0.00 0.00 0.00 175.76 174.95 2jkp s ASP 688 N -2.02 -0.66 0.34 0.00 2.15 -0.41 -4.55 116.67 111.52 2jkp s ASP 688 Ca 0.75 1.06 0.09 0.00 0.43 0.00 0.00 52.55 54.87 2jkp s ASP 688 Cb -0.30 1.27 0.82 0.00 -0.30 0.00 0.00 42.92 44.41 2jkp s ASP 688 CO 0.47 -0.17 1.82 4.11 -0.17 0.00 0.00 175.17 181.23 2jkp h TRP 689 N 6.38 0.90 0.02 -5.34 5.08 -1.59 0.18 115.95 121.59 2jkp h TRP 689 Ca -0.29 0.03 -0.25 0.00 1.08 0.00 0.00 58.89 59.46 2jkp h TRP 689 Cb 1.21 -0.28 -0.03 0.00 -3.00 0.00 0.00 29.16 27.06 2jkp h TRP 689 CO 0.09 0.25 -1.35 -0.22 -1.28 0.00 0.00 178.44 175.93 2jkp h LYS 690 N 0.69 0.04 0.08 0.12 3.64 -1.86 -3.38 116.57 115.91 2jkp h LYS 690 Ca 0.52 -0.07 -0.33 0.00 -1.27 0.00 0.00 60.65 59.50 2jkp h LYS 690 Cb 0.91 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 2jkp h LYS 690 CO -0.29 1.04 -1.79 0.93 -2.27 0.00 0.00 179.45 177.06 2jkp h GLU 691 N -0.84 0.18 -1.30 1.90 4.39 -1.91 -3.43 114.58 113.57 2jkp h GLU 691 Ca -0.35 -0.30 -0.43 0.00 0.34 0.00 0.00 59.36 58.61 2jkp h GLU 691 Cb 1.41 0.11 -0.30 0.00 -0.10 0.00 0.00 28.75 29.87 2jkp h GLU 691 CO -0.16 0.96 -0.90 -1.71 -1.16 0.00 0.00 179.01 176.04 2jkp n ASN 692 N -3.34 -0.80 0.18 1.42 5.15 0.53 -4.93 115.26 113.47 2jkp n ASN 692 Ca -0.23 -2.97 0.10 0.00 -0.60 0.00 0.00 54.58 50.87 2jkp n ASN 692 Cb 1.05 0.24 0.11 0.00 -0.53 0.00 0.00 39.78 40.64 2jkp n ASN 692 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2jkp h PRO 693 N 3.83 0.00 -0.64 1.20 0.13 -1.42 -1.08 132.00 134.01 2jkp h PRO 693 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2jkp h PRO 693 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2jkp h PRO 693 CO 0.41 0.11 0.00 1.04 -0.23 0.00 0.00 178.00 179.33 2jkp n GLN 694 N -3.06 3.55 -3.18 0.86 6.02 -1.26 -0.41 117.38 119.90 2jkp n GLN 694 Ca 0.03 -2.47 -0.44 0.00 -0.01 0.00 0.00 57.00 54.10 2jkp n GLN 694 Cb 0.59 -1.89 -0.06 0.00 1.02 0.00 0.00 30.24 29.90 2jkp n GLN 694 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jkp s ALA 695 N -1.97 3.42 0.14 -1.58 0.00 -1.24 -4.96 121.76 115.58 2jkp s ALA 695 Ca 0.44 -1.95 0.04 0.00 0.00 0.00 0.00 51.96 50.49 2jkp s ALA 695 Cb 0.30 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 2jkp s ALA 695 CO 0.19 -2.07 -0.10 1.52 0.00 0.00 0.00 175.76 175.30 2jkp s TYR 696 N 2.49 1.20 0.22 0.00 -0.85 -1.26 -1.35 117.35 117.80 2jkp s TYR 696 Ca 0.12 -0.78 0.10 0.00 -0.52 0.00 0.00 57.07 55.99 2jkp s TYR 696 Cb -0.22 -0.62 -0.05 0.00 0.38 0.00 0.00 41.96 41.46 2jkp s TYR 696 CO 0.09 0.05 -0.18 0.95 -1.52 0.00 0.00 175.55 174.94 2jkp s THR 697 N -3.33 2.07 -0.05 -3.49 -4.23 0.00 -4.66 115.64 101.95 2jkp s THR 697 Ca 0.15 -2.20 0.03 0.00 -1.18 0.00 0.00 61.69 58.49 2jkp s THR 697 Cb 0.03 -2.10 0.01 0.00 1.34 0.00 0.00 72.50 71.78 2jkp s THR 697 CO -0.00 -0.42 -0.11 -0.63 -0.54 0.00 0.00 174.62 172.91 2jkp s ILE 698 N -2.49 1.02 -0.02 2.99 1.01 -1.26 -1.46 121.20 120.99 2jkp s ILE 698 Ca 0.23 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.46 2jkp s ILE 698 Cb -0.04 -0.92 -0.00 0.00 0.01 0.00 0.00 42.46 41.51 2jkp s ILE 698 CO 0.10 0.32 -0.09 -0.54 0.00 0.00 0.00 174.94 174.72 2jkp s LYS 699 N 0.42 0.93 -0.08 2.79 3.01 -0.35 -4.96 119.74 121.51 2jkp s LYS 699 Ca -0.09 -0.32 0.03 0.00 -1.01 0.00 0.00 55.97 54.57 2jkp s LYS 699 Cb -0.13 -0.88 -0.02 0.00 -1.01 0.00 0.00 37.83 35.80 2jkp s LYS 699 CO 0.02 0.14 -0.16 0.21 0.51 0.00 0.00 175.35 176.08 2jkp s LYS 700 N 0.07 2.83 0.01 1.68 2.20 -1.26 -0.60 119.74 124.67 2jkp s LYS 700 Ca -0.01 -0.73 -0.01 0.00 -0.36 0.00 0.00 55.97 54.86 2jkp s LYS 700 Cb -0.07 -2.43 0.00 0.00 -1.51 0.00 0.00 37.83 33.82 2jkp s LYS 700 CO 0.00 0.43 0.03 0.41 -0.36 0.00 0.00 175.35 175.87 2jkp n GLY 701 N 2.86 1.61 3.49 5.54 0.00 -0.06 -5.00 105.19 113.62 2jkp n GLY 701 Ca -0.18 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 2jkp n GLY 701 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jkp s ILE 702 N -2.76 3.32 0.09 -0.61 -1.09 -1.26 -0.73 121.20 118.17 2jkp s ILE 702 Ca 0.01 -0.61 0.05 0.00 -2.23 0.00 0.00 60.65 57.87 2jkp s ILE 702 Cb -0.00 -2.35 -0.03 0.00 -1.58 0.00 0.00 42.46 38.49 2jkp s ILE 702 CO 0.00 0.57 -0.14 -0.76 -1.23 0.00 0.00 174.94 173.39 2jkp s LEU 703 N -0.43 2.32 0.30 2.97 1.43 0.40 -4.90 118.68 120.77 2jkp s LEU 703 Ca 0.06 -0.69 0.03 0.00 -1.03 0.00 0.00 54.13 52.50 2jkp s LEU 703 Cb -0.12 -0.51 -0.04 0.00 0.03 0.00 0.00 46.19 45.55 2jkp s LEU 703 CO 0.02 -0.11 0.17 0.42 0.23 0.00 0.00 176.35 177.08 2jkp s THR 704 N -1.62 0.24 -1.31 5.49 -4.23 -1.26 -0.82 115.64 112.13 2jkp s THR 704 Ca 0.02 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.56 2jkp s THR 704 Cb -0.08 -2.50 0.05 0.00 1.34 0.00 0.00 72.50 71.30 2jkp s THR 704 CO 0.02 0.00 0.97 -0.46 -0.54 0.00 0.00 174.62 174.61 2jkp n ASN 705 N -0.96 0.00 0.06 3.99 6.94 -1.26 -0.32 115.26 123.71 2jkp n ASN 705 Ca 0.02 0.31 0.12 0.00 -0.02 0.00 0.00 54.58 55.01 2jkp n ASN 705 Cb 0.65 -0.35 0.05 0.00 -2.36 0.00 0.00 39.78 37.77 2jkp n ASN 705 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2jkp n LYS 706 N -1.35 0.42 -1.83 -3.83 4.01 -1.26 -3.77 118.16 110.55 2jkp n LYS 706 Ca 0.01 0.05 -0.35 0.00 -0.51 0.00 0.00 58.31 57.52 2jkp n LYS 706 Cb 0.03 -1.70 0.05 0.00 -0.51 0.00 0.00 35.03 32.90 2jkp n LYS 706 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2jkp s SER 707 N -4.53 4.96 -0.00 4.39 0.01 0.56 -4.90 113.70 114.18 2jkp s SER 707 Ca 0.02 2.28 0.01 0.00 1.31 0.00 0.00 55.95 59.57 2jkp s SER 707 Cb 0.12 -2.58 -0.00 0.00 0.21 0.00 0.00 66.02 63.77 2jkp s SER 707 CO 0.78 -1.74 -0.02 -0.54 0.41 0.00 0.00 173.24 172.13 2jkp s LYS 708 N -3.64 0.13 -0.02 12.44 1.02 -1.26 -3.18 119.74 125.24 2jkp s LYS 708 Ca 0.74 -0.06 -0.00 0.00 0.02 0.00 0.00 55.97 56.67 2jkp s LYS 708 Cb -0.27 -0.13 0.02 0.00 -0.52 0.00 0.00 37.83 36.93 2jkp s LYS 708 CO 0.37 0.04 0.02 -1.17 -0.92 0.00 0.00 175.35 173.69 2jkp s LEU 709 N -0.04 1.31 -0.17 3.17 0.20 -0.74 -5.00 118.68 117.41 2jkp s LEU 709 Ca 0.01 0.03 -0.03 0.00 0.69 0.00 0.00 54.13 54.83 2jkp s LEU 709 Cb -0.01 -0.04 -0.02 0.00 -0.43 0.00 0.00 46.19 45.69 2jkp s LEU 709 CO -0.00 -0.10 -0.06 0.20 -0.29 0.00 0.00 176.35 176.11 2jkp s ASN 710 N 0.80 4.51 0.05 3.68 -0.87 -1.26 -0.15 114.94 121.69 2jkp s ASN 710 Ca -0.07 -0.24 0.01 0.00 -1.57 0.00 0.00 52.86 50.99 2jkp s ASN 710 Cb -0.10 -1.74 -0.03 0.00 -0.02 0.00 0.00 41.25 39.37 2jkp s ASN 710 CO -0.02 0.11 -0.06 -0.76 -2.57 0.00 0.00 177.10 173.80 2jkp s LEU 711 N 0.69 2.31 -0.18 0.60 1.43 -0.48 -5.01 118.68 118.05 2jkp s LEU 711 Ca -0.03 -0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 52.41 2jkp s LEU 711 Cb -0.15 -0.05 0.05 0.00 0.03 0.00 0.00 46.19 46.07 2jkp s LEU 711 CO 0.02 -0.30 -0.02 -2.28 0.23 0.00 0.00 176.35 174.00 2jkp s HIS 712 N -1.98 1.49 0.10 0.29 5.65 -1.26 -0.91 115.29 118.67 2jkp s HIS 712 Ca -0.06 -1.03 -0.30 0.00 0.25 0.00 0.00 55.06 53.91 2jkp s HIS 712 Cb -0.06 -1.21 -0.06 0.00 -1.18 0.00 0.00 32.58 30.07 2jkp s HIS 712 CO -0.02 -0.61 1.15 0.00 -0.65 0.00 0.00 174.74 174.61 2jkp s ALA 713 N 1.70 3.37 1.13 1.58 0.00 0.61 -4.62 121.76 125.53 2jkp s ALA 713 Ca -0.01 0.82 -0.18 0.00 0.00 0.00 0.00 51.96 52.59 2jkp s ALA 713 Cb -0.16 -3.41 0.26 0.00 0.00 0.00 0.00 23.12 19.81 2jkp s ALA 713 CO -0.07 -0.34 1.17 0.00 0.00 0.00 0.00 175.76 176.51 2jkp s ALA 714 N 0.58 1.07 -0.07 0.00 0.00 -1.26 -1.38 121.76 120.71 2jkp s ALA 714 Ca 0.55 -1.01 -0.31 0.00 0.00 0.00 0.00 51.96 51.18 2jkp s ALA 714 Cb -0.29 -2.86 -0.09 0.00 0.00 0.00 0.00 23.12 19.88 2jkp s ALA 714 CO 0.31 -3.26 2.02 0.09 0.00 0.00 0.00 175.76 174.92 2jkp n ASN 715 N -4.47 3.67 -2.06 0.00 4.13 -1.26 -0.90 115.26 114.37 2jkp n ASN 715 Ca 0.14 0.75 -0.14 0.00 1.68 0.00 0.00 54.58 57.01 2jkp n ASN 715 Cb 0.59 -1.48 0.03 0.00 -1.54 0.00 0.00 39.78 37.39 2jkp n ASN 715 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jkp n GLY 716 N 4.88 0.02 1.52 7.41 0.00 -0.52 -1.78 105.19 116.72 2jkp n GLY 716 Ca 0.24 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 2jkp n GLY 716 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkp n GLY 717 N -1.28 3.82 0.00 -0.02 0.00 -0.07 -1.75 105.19 105.89 2jkp n GLY 717 Ca -0.04 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.84 2jkp n GLY 717 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkp n GLY 718 N 1.65 -0.76 3.71 -0.02 0.00 -1.26 -1.36 105.19 107.16 2jkp n GLY 718 Ca -0.06 -0.76 -0.06 0.00 0.00 0.00 0.00 46.02 45.13 2jkp n GLY 718 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jkp s TYR 719 N -3.00 -0.24 -0.00 1.61 -0.85 -0.92 -3.43 117.35 110.52 2jkp s TYR 719 Ca 0.00 -0.08 -0.02 0.00 -0.52 0.00 0.00 57.07 56.44 2jkp s TYR 719 Cb 0.00 0.64 -0.00 0.00 0.38 0.00 0.00 41.96 42.97 2jkp s TYR 719 CO 0.00 -0.93 0.05 0.00 -1.52 0.00 0.00 175.55 173.15 2jkp s ALA 720 N -3.53 -0.10 -0.06 9.51 0.00 -0.05 -1.24 121.76 126.28 2jkp s ALA 720 Ca 0.09 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.93 2jkp s ALA 720 Cb -0.03 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.13 2jkp s ALA 720 CO 0.00 -0.11 -0.08 0.42 0.00 0.00 0.00 175.76 176.00 2jkp s ILE 721 N -0.74 0.82 -0.15 0.00 1.01 0.21 -0.07 121.20 122.29 2jkp s ILE 721 Ca -0.08 -0.27 -0.12 0.00 0.00 0.00 0.00 60.65 60.18 2jkp s ILE 721 Cb -0.05 -0.80 -0.05 0.00 0.01 0.00 0.00 42.46 41.57 2jkp s ILE 721 CO 0.00 0.29 0.24 -0.94 0.00 0.00 0.00 174.94 174.53 2jkp s SER 722 N 0.96 6.41 -0.32 3.58 1.04 -0.50 -0.99 113.70 123.88 2jkp s SER 722 Ca -0.10 0.48 -0.01 0.00 0.48 0.00 0.00 55.95 56.80 2jkp s SER 722 Cb -0.15 -2.15 0.11 0.00 0.10 0.00 0.00 66.02 63.93 2jkp s SER 722 CO 0.00 0.19 0.12 -0.63 0.98 0.00 0.00 173.24 173.90 2jkp s ILE 723 N 0.04 0.84 -0.17 -1.02 1.01 0.35 -0.84 121.20 121.42 2jkp s ILE 723 Ca 0.15 -1.50 -0.03 0.00 0.00 0.00 0.00 60.65 59.27 2jkp s ILE 723 Cb -0.13 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 2jkp s ILE 723 CO 0.03 -0.72 -0.06 -0.54 0.00 0.00 0.00 174.94 173.66 2jkp s LYS 724 N 1.49 3.55 0.47 2.79 1.02 -0.47 -0.40 119.74 128.18 2jkp s LYS 724 Ca 0.11 -0.58 -0.25 0.00 0.02 0.00 0.00 55.97 55.27 2jkp s LYS 724 Cb -0.18 -2.88 -0.08 0.00 -0.52 0.00 0.00 37.83 34.17 2jkp s LYS 724 CO -0.22 0.13 1.42 -1.91 -0.92 0.00 0.00 175.35 173.85 2jkp n GLU 725 N 3.83 2.16 0.00 1.68 2.13 -1.26 -0.71 120.64 128.47 2jkp n GLU 725 Ca -0.18 0.77 0.07 0.00 0.66 0.00 0.00 57.16 58.49 2jkp n GLU 725 Cb 0.52 -2.62 0.44 0.00 0.27 0.00 0.00 31.44 30.05 2jkp n GLU 725 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00