#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 3.19 -0.08 3.69 -1.52 0.16 -4.95 119.66 120.15 2jkp s GLN 23 Ca 0.00 -0.29 0.04 0.00 -1.95 0.00 0.00 55.36 53.16 2jkp s GLN 23 Cb 0.00 -2.97 0.00 0.00 -0.22 0.00 0.00 33.01 29.82 2jkp s GLN 23 CO 0.00 0.73 -0.20 0.21 -0.25 0.00 0.00 175.29 175.79 2jkp s LYS 24 N -1.01 2.42 -0.03 2.91 2.47 -1.26 -0.22 119.74 125.02 2jkp s LYS 24 Ca 0.15 -0.70 0.04 0.00 -1.56 0.00 0.00 55.97 53.90 2jkp s LYS 24 Cb -0.12 -1.91 -0.00 0.00 -1.46 0.00 0.00 37.83 34.34 2jkp s LYS 24 CO 0.04 0.16 -0.16 -1.17 0.16 0.00 0.00 175.35 174.38 2jkp s LEU 25 N 0.36 1.93 0.08 5.43 2.96 0.80 -4.98 118.68 125.26 2jkp s LEU 25 Ca -0.14 -0.31 0.07 0.00 -0.22 0.00 0.00 54.13 53.53 2jkp s LEU 25 Cb -0.16 -0.86 -0.03 0.00 0.50 0.00 0.00 46.19 45.63 2jkp s LEU 25 CO 0.06 0.15 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.16 2jkp s THR 26 N -0.06 1.56 0.72 3.68 2.01 -1.26 0.26 115.64 122.54 2jkp s THR 26 Ca -0.01 -1.36 -0.12 0.00 0.31 0.00 0.00 61.69 60.52 2jkp s THR 26 Cb -0.09 -1.41 0.03 0.00 0.01 0.00 0.00 72.50 71.04 2jkp s THR 26 CO 0.01 -0.00 1.09 -0.94 -0.69 0.00 0.00 174.62 174.09 2jkp s SER 27 N -1.60 4.88 0.30 3.53 1.04 -0.39 -4.65 113.70 116.82 2jkp s SER 27 Ca 0.05 1.84 0.06 0.00 0.48 0.00 0.00 55.95 58.38 2jkp s SER 27 Cb -0.09 -2.53 0.77 0.00 0.10 0.00 0.00 66.02 64.27 2jkp s SER 27 CO 0.03 -1.78 1.73 -0.65 0.98 0.00 0.00 173.24 173.55 2jkp h PRO 28 N -0.65 0.54 -0.55 4.02 0.11 -1.87 -0.17 132.00 133.43 2jkp h PRO 28 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2jkp h PRO 28 Cb 1.23 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2jkp h PRO 28 CO 0.53 0.35 0.00 -0.40 -0.21 0.00 0.00 178.00 178.28 2jkp n ASP 29 N -4.92 2.80 0.00 -2.05 5.68 -1.26 -4.92 116.55 111.88 2jkp n ASP 29 Ca 0.24 -2.19 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 2jkp n ASP 29 Cb 0.65 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 2jkp n ASP 29 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2jkp n ASN 30 N 0.61 -1.64 0.05 -1.12 4.13 -0.07 -4.84 115.26 112.37 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 0.52 -2.10 0.30 0.00 -1.54 0.00 0.00 39.78 36.96 2jkp n ASN 30 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2jkp n ASN 31 N -0.23 0.57 -4.20 6.41 3.02 -1.26 -4.80 115.26 114.76 2jkp n ASN 31 Ca 0.00 0.17 -0.30 0.00 -0.03 0.00 0.00 54.58 54.42 2jkp n ASN 31 Cb 0.12 -0.09 -0.17 0.00 -0.61 0.00 0.00 39.78 39.03 2jkp n ASN 31 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2jkp s LEU 32 N -3.81 2.01 -0.07 3.41 1.02 -1.26 0.08 118.68 120.06 2jkp s LEU 32 Ca 0.09 -0.49 0.04 0.00 0.02 0.00 0.00 54.13 53.79 2jkp s LEU 32 Cb 0.15 -1.27 0.00 0.00 0.02 0.00 0.00 46.19 45.10 2jkp s LEU 32 CO 0.66 0.17 -0.18 -0.69 0.02 0.00 0.00 176.35 176.33 2jkp s VAL 33 N 0.19 1.56 -0.16 -1.59 1.01 -0.79 -1.26 120.40 119.36 2jkp s VAL 33 Ca -0.12 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.11 2jkp s VAL 33 Cb -0.16 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 2jkp s VAL 33 CO 0.06 0.45 -0.14 -0.32 0.00 0.00 0.00 175.10 175.14 2jkp s MET 34 N 0.36 3.23 -0.16 2.72 1.75 0.14 -0.82 119.30 126.53 2jkp s MET 34 Ca -0.13 -0.74 -0.02 0.00 -1.25 0.00 0.00 55.69 53.55 2jkp s MET 34 Cb -0.15 -2.66 -0.02 0.00 2.84 0.00 0.00 34.83 34.84 2jkp s MET 34 CO 0.05 -0.00 -0.09 0.99 -0.65 0.00 0.00 175.02 175.32 2jkp s THR 35 N 0.87 3.35 -0.03 10.11 2.01 -0.75 -0.14 115.64 131.07 2jkp s THR 35 Ca -0.04 -0.54 0.06 0.00 0.31 0.00 0.00 61.69 61.48 2jkp s THR 35 Cb -0.15 -2.45 -0.01 0.00 0.01 0.00 0.00 72.50 69.89 2jkp s THR 35 CO -0.01 0.50 -0.22 0.12 -0.69 0.00 0.00 174.62 174.32 2jkp s PHE 36 N 0.58 2.01 0.17 4.92 5.36 0.69 -1.60 117.98 130.11 2jkp s PHE 36 Ca -0.06 -0.48 -0.18 0.00 -0.96 0.00 0.00 56.93 55.26 2jkp s PHE 36 Cb -0.15 -1.31 0.04 0.00 -0.34 0.00 0.00 43.02 41.26 2jkp s PHE 36 CO 0.03 -0.10 0.50 1.14 -1.46 0.00 0.00 175.22 175.33 2jkp s GLN 37 N -0.31 1.26 -0.11 10.12 0.00 -0.73 0.36 119.66 130.25 2jkp s GLN 37 Ca 0.03 -0.72 -0.10 0.00 -0.00 0.00 0.00 55.36 54.56 2jkp s GLN 37 Cb -0.10 0.52 -0.05 0.00 0.00 0.00 0.00 33.01 33.38 2jkp s GLN 37 CO 0.01 -0.53 0.23 0.08 0.00 0.00 0.00 175.29 175.08 2jkp s VAL 38 N -3.82 5.35 0.36 3.63 1.01 -1.26 -0.01 120.40 125.65 2jkp s VAL 38 Ca 0.05 0.41 -0.05 0.00 0.00 0.00 0.00 61.98 62.40 2jkp s VAL 38 Cb -0.00 -3.52 0.08 0.00 0.00 0.00 0.00 36.38 32.94 2jkp s VAL 38 CO -0.08 0.55 0.48 -0.90 0.00 0.00 0.00 175.10 175.15 2jkp n ASP 39 N 2.39 0.19 0.26 3.32 5.68 -0.28 -4.86 116.55 123.25 2jkp n ASP 39 Ca -0.17 -1.27 0.17 0.00 -0.50 0.00 0.00 54.79 53.03 2jkp n ASP 39 Cb 0.53 -0.36 0.78 0.00 -1.14 0.00 0.00 41.12 40.94 2jkp n ASP 39 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2jkp h SER 40 N -0.55 0.00 0.01 -1.12 4.64 -1.99 -0.28 113.55 114.26 2jkp h SER 40 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2jkp h SER 40 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2jkp h SER 40 CO 0.13 0.00 -0.04 0.29 -0.87 0.00 0.00 176.83 176.34 2jkp n LYS 41 N -2.90 1.66 -0.93 4.77 5.02 -1.26 -4.93 118.16 119.59 2jkp n LYS 41 Ca -0.00 -1.04 0.00 0.00 -2.02 0.00 0.00 58.31 55.24 2jkp n LYS 41 Cb 0.22 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 2jkp n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jkp n GLY 42 N 1.22 0.47 3.68 0.72 0.00 -0.11 -1.22 105.19 109.94 2jkp n GLY 42 Ca 0.17 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.00 3.49 0.21 4.61 0.00 -1.26 -0.58 121.76 126.22 2jkp s ALA 43 Ca 0.00 0.14 -0.30 0.00 0.00 0.00 0.00 51.96 51.79 2jkp s ALA 43 Cb 0.00 -3.29 -0.10 0.00 0.00 0.00 0.00 23.12 19.74 2jkp s ALA 43 CO 0.00 -0.63 1.45 -2.14 0.00 0.00 0.00 175.76 174.44 2jkp s PRO 44 N 2.09 4.28 0.03 0.00 0.02 -1.26 -1.12 135.00 139.03 2jkp s PRO 44 Ca 0.41 2.26 0.02 0.00 0.02 0.00 0.00 61.00 63.71 2jkp s PRO 44 Cb -0.17 -3.14 -0.02 0.00 0.02 0.00 0.00 34.50 31.19 2jkp s PRO 44 CO 0.14 -0.44 -0.06 0.95 -0.33 0.00 0.00 177.00 177.25 2jkp s THR 45 N 0.36 0.43 0.17 0.99 -4.23 0.99 -1.86 115.64 112.49 2jkp s THR 45 Ca 0.62 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 2jkp s THR 45 Cb -0.41 -0.48 -0.04 0.00 1.34 0.00 0.00 72.50 72.90 2jkp s THR 45 CO 0.39 -0.29 0.05 -0.72 -0.54 0.00 0.00 174.62 173.51 2jkp s TYR 46 N -1.10 1.09 0.16 3.99 -0.85 0.03 -1.77 117.35 118.90 2jkp s TYR 46 Ca -0.08 -1.18 -0.17 0.00 -0.52 0.00 0.00 57.07 55.11 2jkp s TYR 46 Cb -0.08 -0.61 0.03 0.00 0.38 0.00 0.00 41.96 41.69 2jkp s TYR 46 CO 0.00 -0.42 0.48 -1.83 -1.52 0.00 0.00 175.55 172.26 2jkp s GLU 47 N -4.02 1.25 -0.06 -3.49 -1.05 -0.63 -0.39 118.70 110.31 2jkp s GLU 47 Ca 0.28 -0.77 -0.03 0.00 -0.15 0.00 0.00 54.97 54.30 2jkp s GLU 47 Cb 0.07 0.51 0.03 0.00 -0.44 0.00 0.00 34.13 34.30 2jkp s GLU 47 CO 0.05 -0.52 0.14 -1.17 0.95 0.00 0.00 175.26 174.71 2jkp s LEU 48 N -2.84 0.86 0.15 1.83 2.96 -0.57 -1.80 118.68 119.27 2jkp s LEU 48 Ca 0.06 0.28 0.11 0.00 -0.22 0.00 0.00 54.13 54.36 2jkp s LEU 48 Cb 0.00 0.34 -0.04 0.00 0.50 0.00 0.00 46.19 46.99 2jkp s LEU 48 CO -0.07 -0.13 -0.26 0.42 -1.32 0.00 0.00 176.35 174.99 2jkp s THR 49 N 1.00 2.24 -0.14 3.68 -4.23 0.00 -0.05 115.64 118.14 2jkp s THR 49 Ca -0.08 -1.82 -0.01 0.00 -1.18 0.00 0.00 61.69 58.60 2jkp s THR 49 Cb -0.10 -2.00 0.04 0.00 1.34 0.00 0.00 72.50 71.78 2jkp s THR 49 CO -0.05 0.02 -0.04 -0.47 -0.54 0.00 0.00 174.62 173.53 2jkp s TYR 50 N -1.25 1.42 -1.47 3.99 5.04 0.12 -1.89 117.35 123.30 2jkp s TYR 50 Ca 0.15 -0.81 -0.02 0.00 -2.44 0.00 0.00 57.07 53.95 2jkp s TYR 50 Cb -0.09 -1.19 0.02 0.00 0.35 0.00 0.00 41.96 41.05 2jkp s TYR 50 CO 0.07 -0.54 0.36 1.63 -1.34 0.00 0.00 175.55 175.73 2jkp n LYS 51 N 4.95 -2.75 -1.21 4.97 5.02 0.11 0.05 118.16 129.30 2jkp n LYS 51 Ca -0.11 0.33 -0.07 0.00 -2.02 0.00 0.00 58.31 56.44 2jkp n LYS 51 Cb 0.49 -4.38 -0.03 0.00 -0.02 0.00 0.00 35.03 31.08 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 -2.93 -5.40 -4.61 4.39 4.13 -1.26 -5.01 115.26 104.57 2jkp n ASN 52 Ca -0.27 0.18 -0.34 0.00 1.68 0.00 0.00 54.58 55.82 2jkp n ASN 52 Cb 0.67 -3.55 -0.11 0.00 -1.54 0.00 0.00 39.78 35.26 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 -2.45 3.32 0.14 3.52 1.02 0.11 -5.08 119.74 120.32 2jkp s LYS 53 Ca 0.00 -0.45 -0.31 0.00 0.02 0.00 0.00 55.97 55.23 2jkp s LYS 53 Cb 0.00 -2.87 -0.09 0.00 -0.52 0.00 0.00 37.83 34.35 2jkp s LYS 53 CO 0.00 0.49 1.53 0.08 -0.92 0.00 0.00 175.35 176.53 2jkp s VAL 54 N -0.31 2.82 -0.21 3.17 1.01 -1.26 0.10 120.40 125.73 2jkp s VAL 54 Ca 0.06 0.57 -0.09 0.00 0.00 0.00 0.00 61.98 62.52 2jkp s VAL 54 Cb -0.12 -3.37 -0.10 0.00 0.00 0.00 0.00 36.38 32.79 2jkp s VAL 54 CO 0.02 0.04 -0.26 0.52 0.00 0.00 0.00 175.10 175.42 2jkp n VAL 55 N 4.03 1.15 -4.05 2.92 0.31 0.93 -4.78 118.33 118.83 2jkp n VAL 55 Ca 0.13 -0.31 -0.34 0.00 -0.01 0.00 0.00 64.34 63.82 2jkp n VAL 55 Cb 0.40 -1.70 -0.15 0.00 -0.91 0.00 0.00 33.84 31.47 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 -2.38 2.44 0.95 2.52 -1.09 -0.76 -4.29 121.20 118.59 2jkp s ILE 56 Ca -0.29 -0.89 -0.13 0.00 -2.23 0.00 0.00 60.65 57.11 2jkp s ILE 56 Cb 0.11 -2.09 0.16 0.00 -1.58 0.00 0.00 42.46 39.05 2jkp s ILE 56 CO 0.38 0.45 1.14 -1.59 -1.23 0.00 0.00 174.94 174.09 2jkp s LYS 57 N 1.33 0.80 0.02 2.79 -2.85 0.01 -1.51 119.74 120.33 2jkp s LYS 57 Ca 0.04 0.23 -0.34 0.00 -1.00 0.00 0.00 55.97 54.90 2jkp s LYS 57 Cb -0.14 -1.81 -0.12 0.00 -2.06 0.00 0.00 37.83 33.70 2jkp s LYS 57 CO -0.10 -2.42 1.76 -2.30 0.10 0.00 0.00 175.35 172.40 2jkp n PRO 58 N -3.91 2.19 -4.08 1.78 -0.02 -1.26 -4.38 135.00 125.33 2jkp n PRO 58 Ca 0.08 0.80 -0.15 0.00 -2.02 0.00 0.00 63.50 62.20 2jkp n PRO 58 Cb 0.59 -2.62 -0.14 0.00 -0.02 0.00 0.00 33.50 31.31 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 2.80 0.47 0.55 2.55 0.01 0.48 -4.83 113.70 115.74 2jkp s SER 59 Ca 0.87 -0.07 -0.04 0.00 1.31 0.00 0.00 55.95 58.02 2jkp s SER 59 Cb -0.68 -0.07 0.01 0.00 0.21 0.00 0.00 66.02 65.48 2jkp s SER 59 CO 0.46 0.03 0.84 0.42 0.41 0.00 0.00 173.24 175.40 2jkp s THR 60 N 0.02 3.69 0.04 1.44 -4.23 -1.26 -0.79 115.64 114.54 2jkp s THR 60 Ca 0.00 -0.15 0.02 0.00 -1.18 0.00 0.00 61.69 60.38 2jkp s THR 60 Cb -0.03 -3.44 -0.02 0.00 1.34 0.00 0.00 72.50 70.35 2jkp s THR 60 CO -0.00 -0.41 -0.07 -0.76 -0.54 0.00 0.00 174.62 172.84 2jkp s LEU 61 N -4.87 2.25 0.00 4.79 1.43 -0.77 -1.13 118.68 120.38 2jkp s LEU 61 Ca 0.53 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2jkp s LEU 61 Cb -0.10 -0.13 0.00 0.00 0.03 0.00 0.00 46.19 45.99 2jkp s LEU 61 CO 0.43 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.40 2jkp n GLY 62 N 1.49 1.17 3.22 -3.19 0.00 -1.21 -4.23 105.19 102.43 2jkp n GLY 62 Ca -0.23 -1.37 -0.13 0.00 0.00 0.00 0.00 46.02 44.29 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 2.13 -0.10 0.99 1.02 -0.37 -0.16 118.68 122.19 2jkp s LEU 63 Ca 0.00 -1.15 0.03 0.00 0.02 0.00 0.00 54.13 53.03 2jkp s LEU 63 Cb 0.00 -0.01 -0.01 0.00 0.02 0.00 0.00 46.19 46.19 2jkp s LEU 63 CO 0.00 -0.57 -0.22 -0.70 0.02 0.00 0.00 176.35 174.88 2jkp s GLU 64 N -3.92 3.03 0.20 1.70 2.12 -0.57 -1.23 118.70 120.02 2jkp s GLU 64 Ca 0.22 -0.84 0.05 0.00 0.36 0.00 0.00 54.97 54.76 2jkp s GLU 64 Cb 0.06 -2.35 -0.04 0.00 0.26 0.00 0.00 34.13 32.07 2jkp s GLU 64 CO 0.02 0.23 0.22 -0.51 -0.54 0.00 0.00 175.26 174.68 2jkp s LEU 65 N 0.24 4.00 0.33 2.70 1.43 0.43 -0.97 118.68 126.85 2jkp s LEU 65 Ca -0.14 -0.07 -0.27 0.00 -1.03 0.00 0.00 54.13 52.62 2jkp s LEU 65 Cb -0.17 -2.57 -0.09 0.00 0.03 0.00 0.00 46.19 43.39 2jkp s LEU 65 CO 0.07 0.01 1.04 -0.75 0.23 0.00 0.00 176.35 176.96 2jkp s LYS 66 N -3.48 4.44 0.35 1.70 2.20 0.86 -4.54 119.74 121.28 2jkp s LYS 66 Ca 0.33 1.58 -0.28 0.00 -0.36 0.00 0.00 55.97 57.24 2jkp s LYS 66 Cb -0.09 -2.86 -0.10 0.00 -1.51 0.00 0.00 37.83 33.26 2jkp s LYS 66 CO 0.26 0.09 1.37 0.21 -0.36 0.00 0.00 175.35 176.92 2jkp s LYS 67 N -1.97 4.23 0.16 4.03 2.36 -1.26 -4.73 119.74 122.56 2jkp s LYS 67 Ca 0.51 2.34 -0.10 0.00 -2.55 0.00 0.00 55.97 56.16 2jkp s LYS 67 Cb -0.25 -3.01 0.01 0.00 -1.05 0.00 0.00 37.83 33.53 2jkp s LYS 67 CO 0.32 -0.34 1.55 0.93 1.55 0.00 0.00 175.35 179.37 2jkp h GLU 68 N 3.18 1.00 0.00 4.03 5.08 -1.98 -3.51 114.58 122.38 2jkp h GLU 68 Ca -0.50 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 57.45 2jkp h GLU 68 Cb 1.23 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2jkp h GLU 68 CO 0.65 1.09 0.00 -0.25 -1.00 0.00 0.00 179.01 179.50 2jkp n ASP 87 N -4.13 0.00 0.26 1.42 8.00 -1.26 -5.23 116.55 115.61 2jkp n ASP 87 Ca 0.00 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.64 2jkp n ASP 87 Cb 0.44 -0.07 0.68 0.00 -0.02 0.00 0.00 41.12 42.15 2jkp n ASP 87 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2jkp h SER 88 N 0.00 0.00 0.55 -2.24 4.64 -1.98 -0.87 113.55 113.65 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 0.12 0.00 0.11 -0.87 0.00 0.00 176.83 176.19 2jkp h LYS 89 N 0.00 0.00 0.00 4.77 1.57 -1.99 -2.21 116.57 118.72 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 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2jkp h LYS 89 CO 0.02 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.69 2jkp h THR 90 N 0.00 0.00 -3.55 -0.16 1.35 -1.39 -3.44 112.91 105.73 2jkp h THR 90 Ca 0.00 -0.55 -0.60 0.00 -0.55 0.00 0.00 66.41 64.71 2jkp h THR 90 Cb 0.27 1.52 -0.10 0.00 -1.73 0.00 0.00 68.15 68.11 2jkp h THR 90 CO 0.00 0.00 0.51 0.21 -0.25 0.00 0.00 175.52 175.99 2jkp s ASN 91 N -5.57 6.58 -0.28 5.36 3.84 -0.83 -0.43 114.94 123.60 2jkp s ASN 91 Ca 0.03 0.35 0.15 0.00 0.21 0.00 0.00 52.86 53.60 2jkp s ASN 91 Cb 0.08 -2.43 0.48 0.00 -0.55 0.00 0.00 41.25 38.83 2jkp s ASN 91 CO 0.55 -0.87 1.14 -0.11 -2.79 0.00 0.00 177.10 175.02 2jkp n LEU 92 N 6.75 3.18 0.00 3.21 7.94 -0.37 -4.80 117.00 132.91 2jkp n LEU 92 Ca 0.05 -3.92 0.00 0.00 -1.11 0.00 0.00 56.01 51.04 2jkp n LEU 92 Cb 0.48 0.07 0.00 0.00 0.53 0.00 0.00 43.42 44.51 2jkp n LEU 92 CO 0.58 1.59 -0.30 0.00 -1.11 0.00 0.00 177.39 178.15 2jkp n TYR 93 N -0.61 0.00 -3.59 1.96 0.18 -1.14 -1.23 117.16 112.73 2jkp n TYR 93 Ca 0.25 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 60.01 2jkp n TYR 93 Cb 0.87 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.82 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 -0.97 -0.20 -1.02 9.48 5.68 -1.26 -4.27 116.55 123.99 2jkp n ASP 94 Ca 0.00 -1.26 -0.11 0.00 -0.50 0.00 0.00 54.79 52.91 2jkp n ASP 94 Cb 0.04 0.37 -0.04 0.00 -1.14 0.00 0.00 41.12 40.36 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 -0.08 0.82 3.92 6.12 0.00 -0.36 -4.83 105.19 110.79 2jkp n GLY 95 Ca -0.00 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.47 3.50 0.03 1.61 0.08 0.25 -4.00 117.98 116.97 2jkp s PHE 96 Ca 0.00 0.52 0.01 0.00 0.12 0.00 0.00 56.93 57.58 2jkp s PHE 96 Cb 0.00 -2.03 -0.02 0.00 -0.57 0.00 0.00 43.02 40.40 2jkp s PHE 96 CO 0.00 0.07 -0.04 -1.83 -0.10 0.00 0.00 175.22 173.32 2jkp s GLU 97 N -4.15 0.36 -0.14 0.44 -1.05 0.20 -4.48 118.70 109.88 2jkp s GLU 97 Ca 0.42 -0.61 -0.29 0.00 -0.15 0.00 0.00 54.97 54.34 2jkp s GLU 97 Cb -0.10 -0.03 -0.02 0.00 -0.44 0.00 0.00 34.13 33.54 2jkp s GLU 97 CO 0.36 -0.01 1.25 0.08 0.95 0.00 0.00 175.26 177.88 2jkp s VAL 98 N -1.33 4.28 -0.13 1.83 1.01 -1.26 -1.01 120.40 123.78 2jkp s VAL 98 Ca -0.13 1.56 0.19 0.00 0.00 0.00 0.00 61.98 63.60 2jkp s VAL 98 Cb -0.09 -4.00 -0.28 0.00 0.00 0.00 0.00 36.38 32.00 2jkp s VAL 98 CO -0.01 -0.11 0.24 1.17 0.00 0.00 0.00 175.10 176.39 2jkp n LYS 99 N 6.30 0.70 -3.54 2.72 4.81 0.50 -4.94 118.16 124.71 2jkp n LYS 99 Ca 0.13 -0.09 -0.07 0.00 -0.87 0.00 0.00 58.31 57.41 2jkp n LYS 99 Cb 0.45 -1.51 -0.02 0.00 0.02 0.00 0.00 35.03 33.96 2jkp n LYS 99 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2jkp s ASP 100 N -5.07 -0.29 -0.00 3.14 2.15 -1.19 -4.99 116.67 110.41 2jkp s ASP 100 Ca -0.09 0.04 -0.04 0.00 0.43 0.00 0.00 52.55 52.89 2jkp s ASP 100 Cb 0.09 0.30 -0.00 0.00 -0.30 0.00 0.00 42.92 43.00 2jkp s ASP 100 CO 0.85 -0.46 0.07 0.42 -0.17 0.00 0.00 175.17 175.88 2jkp s THR 101 N -2.66 0.06 0.01 1.71 -4.23 -1.26 -0.54 115.64 108.73 2jkp s THR 101 Ca 0.06 -0.53 0.01 0.00 -1.18 0.00 0.00 61.69 60.05 2jkp s THR 101 Cb -0.01 -0.28 -0.01 0.00 1.34 0.00 0.00 72.50 73.54 2jkp s THR 101 CO -0.07 -0.29 -0.03 -1.10 -0.54 0.00 0.00 174.62 172.60 2jkp s GLN 102 N -0.93 0.25 0.45 3.99 -0.21 0.07 -4.98 119.66 118.30 2jkp s GLN 102 Ca -0.10 -0.32 0.05 0.00 0.02 0.00 0.00 55.36 55.01 2jkp s GLN 102 Cb -0.06 -0.09 -0.05 0.00 1.00 0.00 0.00 33.01 33.82 2jkp s GLN 102 CO 0.00 0.01 0.06 0.95 -2.12 0.00 0.00 175.29 174.19 2jkp s THR 103 N -0.64 1.75 0.00 -0.19 -4.23 -1.26 0.11 115.64 111.18 2jkp s THR 103 Ca -0.06 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 2jkp s THR 103 Cb -0.05 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.12 2jkp s THR 103 CO -0.00 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.08 2jkp n ALA 104 N -1.16 0.00 -2.50 3.99 0.00 -1.09 -4.97 120.51 114.77 2jkp n ALA 104 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.14 2jkp n ALA 104 Cb 0.66 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.00 2jkp n ALA 104 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2jkp s THR 105 N -2.00 1.58 -0.06 0.00 2.01 -1.26 0.31 115.64 116.21 2jkp s THR 105 Ca 0.00 -1.73 -0.06 0.00 0.31 0.00 0.00 61.69 60.21 2jkp s THR 105 Cb 0.00 -1.62 0.02 0.00 0.01 0.00 0.00 72.50 70.91 2jkp s THR 105 CO 0.00 -0.29 0.18 0.12 -0.69 0.00 0.00 174.62 173.94 2jkp s PHE 106 N -1.84 -0.18 -0.32 4.92 5.36 -0.89 -5.00 117.98 120.03 2jkp s PHE 106 Ca 0.10 0.43 0.06 0.00 -0.96 0.00 0.00 56.93 56.56 2jkp s PHE 106 Cb -0.07 0.06 0.19 0.00 -0.34 0.00 0.00 43.02 42.86 2jkp s PHE 106 CO 0.05 -0.11 0.55 0.34 -1.46 0.00 0.00 175.22 174.59 2jkp s ASP 107 N -0.02 -1.10 0.02 6.13 -1.08 -1.24 -1.65 116.67 117.73 2jkp s ASP 107 Ca -0.01 -0.21 -0.03 0.00 -0.52 0.00 0.00 52.55 51.77 2jkp s ASP 107 Cb -0.02 1.78 -0.01 0.00 -1.46 0.00 0.00 42.92 43.20 2jkp s ASP 107 CO 0.00 -0.28 0.05 -1.61 0.52 0.00 0.00 175.17 173.85 2jkp s GLU 108 N 2.50 0.46 0.20 4.34 0.41 -1.00 -4.99 118.70 120.61 2jkp s GLU 108 Ca 0.12 -0.66 0.05 0.00 -0.41 0.00 0.00 54.97 54.06 2jkp s GLU 108 Cb -0.09 0.18 -0.03 0.00 -1.78 0.00 0.00 34.13 32.40 2jkp s GLU 108 CO -0.22 -0.10 0.24 0.95 -0.49 0.00 0.00 175.26 175.65 2jkp s THR 109 N -2.00 4.89 0.13 3.63 -4.23 -1.26 -0.17 115.64 116.62 2jkp s THR 109 Ca -0.10 -1.02 -0.18 0.00 -1.18 0.00 0.00 61.69 59.21 2jkp s THR 109 Cb -0.05 -3.57 0.04 0.00 1.34 0.00 0.00 72.50 70.26 2jkp s THR 109 CO -0.02 -0.21 0.45 -1.66 -0.54 0.00 0.00 174.62 172.64 2jkp s TRP 110 N -1.88 -0.29 -0.14 3.99 1.48 -0.15 -4.95 118.94 117.00 2jkp s TRP 110 Ca 0.33 0.01 0.02 0.00 -1.06 0.00 0.00 56.10 55.40 2jkp s TRP 110 Cb -0.10 0.33 0.01 0.00 -1.16 0.00 0.00 33.47 32.56 2jkp s TRP 110 CO 0.26 -0.73 -0.20 -0.65 -4.06 0.00 0.00 176.95 171.57 2jkp s GLN 111 N -3.72 2.84 0.72 3.25 -0.21 -1.26 -0.17 119.66 121.11 2jkp s GLN 111 Ca 0.02 -0.79 -0.11 0.00 0.02 0.00 0.00 55.36 54.50 2jkp s GLN 111 Cb 0.01 -2.34 0.02 0.00 1.00 0.00 0.00 33.01 31.70 2jkp s GLN 111 CO -0.12 -0.06 1.07 -1.25 -2.12 0.00 0.00 175.29 172.82 2jkp s PRO 112 N 0.94 2.70 0.20 2.91 0.04 -1.26 -4.94 135.00 135.59 2jkp s PRO 112 Ca -0.05 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.06 2jkp s PRO 112 Cb -0.15 -1.96 0.15 0.00 0.04 0.00 0.00 34.50 32.58 2jkp s PRO 112 CO -0.04 -1.29 1.50 0.28 0.04 0.00 0.00 177.00 177.49 2jkp h VAL 113 N -0.78 1.37 -3.71 -0.36 2.07 -1.95 -3.45 116.25 109.44 2jkp h VAL 113 Ca -0.44 -1.98 -0.11 0.00 0.82 0.00 0.00 66.70 64.99 2jkp h VAL 113 Cb 1.22 1.98 -0.17 0.00 -1.52 0.00 0.00 31.29 32.80 2jkp h VAL 113 CO 0.55 0.60 -0.44 -1.66 0.02 0.00 0.00 177.57 176.64 2jkp s TRP 114 N -3.78 0.13 -2.56 1.57 1.48 -1.26 -5.05 118.94 109.48 2jkp s TRP 114 Ca -0.05 -0.43 0.00 0.00 -1.06 0.00 0.00 56.10 54.55 2jkp s TRP 114 Cb 0.11 -0.08 0.00 0.00 -1.16 0.00 0.00 33.47 32.34 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 0.53 -1.03 0.05 3.67 0.00 -1.26 -4.98 105.19 102.17 2jkp n GLY 115 Ca -0.18 -0.96 0.12 0.00 0.00 0.00 0.00 46.02 45.00 2jkp n GLY 115 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jkp n GLU 116 N 0.00 0.20 -4.01 1.61 1.02 -1.26 -3.10 120.64 115.09 2jkp n GLU 116 Ca 0.00 0.08 -0.09 0.00 -0.02 0.00 0.00 57.16 57.12 2jkp n GLU 116 Cb 0.00 -1.64 -0.06 0.00 -0.02 0.00 0.00 31.44 29.72 2jkp n GLU 116 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2jkp s GLU 117 N -3.11 1.51 0.30 3.49 1.03 -1.23 -2.65 118.70 118.05 2jkp s GLU 117 Ca 0.09 -1.28 0.05 0.00 0.03 0.00 0.00 54.97 53.86 2jkp s GLU 117 Cb 0.15 0.45 0.49 0.00 -0.80 0.00 0.00 34.13 34.42 2jkp s GLU 117 CO 0.68 -0.62 1.74 -0.22 -1.33 0.00 0.00 175.26 175.51 2jkp h LYS 118 N 2.29 0.33 -3.39 -4.83 3.64 -1.24 -3.44 116.57 109.93 2jkp h LYS 118 Ca -0.27 -0.13 -0.18 0.00 -1.27 0.00 0.00 60.65 58.80 2jkp h LYS 118 Cb 1.25 -0.02 -0.25 0.00 -0.41 0.00 0.00 32.23 32.80 2jkp h LYS 118 CO 0.37 0.61 -0.53 -2.00 -2.27 0.00 0.00 179.45 175.63 2jkp s GLU 119 N -4.36 0.23 -0.01 1.90 2.12 -1.26 -4.01 118.70 113.30 2jkp s GLU 119 Ca -0.05 0.10 0.06 0.00 0.36 0.00 0.00 54.97 55.43 2jkp s GLU 119 Cb 0.14 0.11 -0.01 0.00 0.26 0.00 0.00 34.13 34.62 2jkp s GLU 119 CO 0.77 -0.04 -0.19 0.42 -0.54 0.00 0.00 175.26 175.69 2jkp s ILE 120 N -0.18 1.49 -0.20 -3.70 1.01 0.77 -4.96 121.20 115.41 2jkp s ILE 120 Ca -0.03 -0.80 -0.08 0.00 0.00 0.00 0.00 60.65 59.74 2jkp s ILE 120 Cb -0.02 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 2jkp s ILE 120 CO 0.00 0.42 0.09 -0.60 0.00 0.00 0.00 174.94 174.86 2jkp s ARG 121 N -0.44 3.99 -0.50 2.79 3.52 -1.26 -0.98 118.95 126.08 2jkp s ARG 121 Ca 0.07 -0.33 -0.12 0.00 -0.13 0.00 0.00 55.73 55.23 2jkp s ARG 121 Cb -0.07 -3.32 0.12 0.00 -1.56 0.00 0.00 34.95 30.12 2jkp s ARG 121 CO -0.01 0.19 0.40 1.21 -0.81 0.00 0.00 175.30 176.29 2jkp s ASN 122 N 0.63 5.88 -0.23 -2.12 2.47 0.76 -4.99 114.94 117.33 2jkp s ASN 122 Ca 0.05 -1.89 -0.02 0.00 0.42 0.00 0.00 52.86 51.42 2jkp s ASN 122 Cb -0.13 -2.08 0.07 0.00 -1.45 0.00 0.00 41.25 37.67 2jkp s ASN 122 CO 0.01 -0.75 0.05 -2.28 -3.72 0.00 0.00 177.10 170.41 2jkp s HIS 123 N 1.42 1.24 0.05 0.43 2.46 -1.26 -2.37 115.29 117.27 2jkp s HIS 123 Ca 0.05 -1.15 -0.13 0.00 0.47 0.00 0.00 55.06 54.31 2jkp s HIS 123 Cb -0.27 -1.23 0.02 0.00 -0.13 0.00 0.00 32.58 30.96 2jkp s HIS 123 CO 0.00 -0.71 0.28 1.52 -2.47 0.00 0.00 174.74 173.37 2jkp s TYR 124 N 1.78 -0.05 -0.07 3.88 -0.85 -0.66 -4.51 117.35 116.87 2jkp s TYR 124 Ca 0.02 -0.14 -0.11 0.00 -0.52 0.00 0.00 57.07 56.32 2jkp s TYR 124 Cb -0.17 0.07 -0.05 0.00 0.38 0.00 0.00 41.96 42.19 2jkp s TYR 124 CO -0.14 -0.51 0.27 -0.80 -1.52 0.00 0.00 175.55 172.85 2jkp s ASN 125 N -2.21 6.57 0.06 -0.18 0.01 -0.70 -2.09 114.94 116.40 2jkp s ASN 125 Ca -0.03 0.68 0.07 0.00 -0.71 0.00 0.00 52.86 52.87 2jkp s ASN 125 Cb -0.00 -2.16 -0.03 0.00 0.41 0.00 0.00 41.25 39.46 2jkp s ASN 125 CO -0.05 0.34 -0.16 -0.70 -1.51 0.00 0.00 177.10 175.02 2jkp s GLU 126 N -0.87 2.09 -0.07 -0.60 2.12 0.15 -1.48 118.70 120.05 2jkp s GLU 126 Ca 0.19 -0.99 0.00 0.00 0.36 0.00 0.00 54.97 54.53 2jkp s GLU 126 Cb -0.14 -2.23 0.02 0.00 0.26 0.00 0.00 34.13 32.04 2jkp s GLU 126 CO 0.08 0.53 -0.04 -1.17 -0.54 0.00 0.00 175.26 174.12 2jkp s LEU 127 N -1.65 1.07 -0.13 2.70 2.96 -0.49 -2.69 118.68 120.46 2jkp s LEU 127 Ca 0.16 -0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 53.90 2jkp s LEU 127 Cb -0.11 -0.54 -0.02 0.00 0.50 0.00 0.00 46.19 46.02 2jkp s LEU 127 CO 0.07 -0.11 -0.08 0.00 -1.32 0.00 0.00 176.35 174.92 2jkp s ALA 128 N 1.39 2.86 -0.23 5.97 0.00 0.12 -0.28 121.76 131.59 2jkp s ALA 128 Ca -0.03 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.09 2jkp s ALA 128 Cb -0.13 -1.38 0.05 0.00 0.00 0.00 0.00 23.12 21.65 2jkp s ALA 128 CO -0.03 0.28 -0.13 0.08 0.00 0.00 0.00 175.76 175.96 2jkp s VAL 129 N 0.19 2.05 -0.29 0.00 1.01 -0.05 -0.75 120.40 122.55 2jkp s VAL 129 Ca -0.04 -1.34 -0.25 0.00 0.00 0.00 0.00 61.98 60.35 2jkp s VAL 129 Cb -0.14 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.17 2jkp s VAL 129 CO 0.04 0.15 0.85 -0.89 0.00 0.00 0.00 175.10 175.25 2jkp s THR 130 N 1.20 4.75 -0.18 3.92 2.01 0.30 -1.83 115.64 125.81 2jkp s THR 130 Ca -0.04 1.37 -0.05 0.00 0.31 0.00 0.00 61.69 63.28 2jkp s THR 130 Cb -0.17 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.11 2jkp s THR 130 CO -0.08 -0.25 0.00 -0.76 -0.69 0.00 0.00 174.62 172.84 2jkp s LEU 131 N 3.06 3.37 -0.09 4.42 1.43 0.15 -0.37 118.68 130.65 2jkp s LEU 131 Ca 0.35 -0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.33 2jkp s LEU 131 Cb -0.14 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 2jkp s LEU 131 CO 0.12 0.12 -0.05 -0.47 0.23 0.00 0.00 176.35 176.29 2jkp s TYR 132 N 0.69 2.99 -0.43 0.29 5.04 -0.18 -1.01 117.35 124.73 2jkp s TYR 132 Ca 0.00 -0.04 -0.05 0.00 -2.44 0.00 0.00 57.07 54.54 2jkp s TYR 132 Cb -0.14 -1.78 0.11 0.00 0.35 0.00 0.00 41.96 40.50 2jkp s TYR 132 CO 0.02 0.26 0.26 -1.14 -1.34 0.00 0.00 175.55 173.60 2jkp s GLN 133 N -0.53 2.18 0.28 4.97 0.74 0.97 -0.63 119.66 127.63 2jkp s GLN 133 Ca 0.08 -1.80 -0.03 0.00 0.05 0.00 0.00 55.36 53.66 2jkp s GLN 133 Cb -0.12 -3.71 0.37 0.00 1.10 0.00 0.00 33.01 30.65 2jkp s GLN 133 CO 0.02 -1.11 1.92 -1.35 -0.55 0.00 0.00 175.29 174.21 2jkp h PRO 134 N 8.20 1.11 -0.33 1.67 0.11 -1.85 0.35 132.00 141.26 2jkp h PRO 134 Ca -0.16 -0.10 0.10 0.00 0.11 0.00 0.00 66.00 65.94 2jkp h PRO 134 Cb 1.06 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 2jkp h PRO 134 CO 0.76 0.79 0.25 0.00 -0.21 0.00 0.00 178.00 179.59 2jkp h MET 135 N 1.13 0.00 -0.05 1.05 -0.00 -1.94 -2.61 114.93 112.51 2jkp h MET 135 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.99 2jkp h MET 135 Cb -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.56 2jkp h MET 135 CO -0.05 0.00 0.00 0.09 -0.00 0.00 0.00 176.91 176.95 2jkp n ASN 136 N -4.31 1.99 -4.08 -0.10 5.03 -0.80 -5.01 115.26 107.97 2jkp n ASN 136 Ca 0.05 -1.83 -0.44 0.00 0.87 0.00 0.00 54.58 53.23 2jkp n ASN 136 Cb 0.42 -0.03 0.01 0.00 -1.02 0.00 0.00 39.78 39.16 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 -0.24 -3.50 -3.64 6.41 2.03 0.05 -4.93 116.55 112.73 2jkp n ASP 137 Ca 0.02 -1.28 -0.11 0.00 0.52 0.00 0.00 54.79 53.94 2jkp n ASP 137 Cb 0.24 -1.78 -0.05 0.00 -0.72 0.00 0.00 41.12 38.80 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 -7.34 1.02 0.01 -0.67 1.70 -1.14 -4.60 118.95 107.94 2jkp s ARG 138 Ca 0.43 -0.57 0.07 0.00 -0.47 0.00 0.00 55.73 55.19 2jkp s ARG 138 Cb -0.23 0.45 -0.02 0.00 -0.57 0.00 0.00 34.95 34.58 2jkp s ARG 138 CO 0.97 -0.38 -0.22 -1.12 -1.08 0.00 0.00 175.30 173.47 2jkp s SER 139 N -2.50 2.61 0.42 -2.89 0.01 -1.26 -0.02 113.70 110.06 2jkp s SER 139 Ca -0.00 -0.47 0.06 0.00 1.31 0.00 0.00 55.95 56.85 2jkp s SER 139 Cb 0.01 -0.26 -0.07 0.00 0.21 0.00 0.00 66.02 65.91 2jkp s SER 139 CO -0.08 0.23 0.01 0.27 0.41 0.00 0.00 173.24 174.07 2jkp s ILE 140 N -0.66 1.89 -0.08 1.44 -4.36 -0.18 -4.50 121.20 114.75 2jkp s ILE 140 Ca 0.09 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.51 2jkp s ILE 140 Cb -0.09 -2.90 0.00 0.00 1.25 0.00 0.00 42.46 40.73 2jkp s ILE 140 CO 0.01 0.00 -0.19 -0.69 0.24 0.00 0.00 174.94 174.31 2jkp s VAL 141 N -2.74 1.64 -0.22 8.37 1.01 -0.50 0.30 120.40 128.26 2jkp s VAL 141 Ca 0.32 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 2jkp s VAL 141 Cb 0.09 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 2jkp s VAL 141 CO 0.16 0.47 0.05 -0.63 0.00 0.00 0.00 175.10 175.14 2jkp s ILE 142 N 0.43 4.29 -0.20 2.22 1.01 -0.76 0.38 121.20 128.58 2jkp s ILE 142 Ca -0.16 -0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.25 2jkp s ILE 142 Cb -0.17 -2.97 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 2jkp s ILE 142 CO 0.06 0.39 0.00 -0.60 0.00 0.00 0.00 174.94 174.80 2jkp s ARG 143 N 1.17 3.63 -0.13 2.79 3.52 -0.69 -0.87 118.95 128.38 2jkp s ARG 143 Ca 0.04 -0.51 -0.01 0.00 -0.13 0.00 0.00 55.73 55.11 2jkp s ARG 143 Cb -0.14 -3.09 -0.02 0.00 -1.56 0.00 0.00 34.95 30.13 2jkp s ARG 143 CO 0.03 0.02 -0.07 -0.06 -0.81 0.00 0.00 175.30 174.40 2jkp s PHE 144 N 0.99 2.94 -0.19 5.12 0.08 0.61 -1.62 117.98 125.90 2jkp s PHE 144 Ca 0.02 -0.32 0.01 0.00 0.12 0.00 0.00 56.93 56.76 2jkp s PHE 144 Cb -0.14 -1.86 0.03 0.00 -0.57 0.00 0.00 43.02 40.48 2jkp s PHE 144 CO 0.02 0.00 -0.16 1.03 -0.10 0.00 0.00 175.22 176.01 2jkp s ARG 145 N 0.06 2.59 -0.27 0.44 0.52 0.12 -1.39 118.95 121.03 2jkp s ARG 145 Ca -0.02 -0.88 -0.06 0.00 -0.52 0.00 0.00 55.73 54.24 2jkp s ARG 145 Cb -0.14 -2.53 -0.01 0.00 0.52 0.00 0.00 34.95 32.80 2jkp s ARG 145 CO 0.03 -0.31 0.05 -1.17 0.02 0.00 0.00 175.30 173.92 2jkp s LEU 146 N 1.30 3.53 0.51 2.53 2.96 -0.55 -0.66 118.68 128.30 2jkp s LEU 146 Ca 0.01 -0.49 0.08 0.00 -0.22 0.00 0.00 54.13 53.52 2jkp s LEU 146 Cb -0.15 -1.86 0.05 0.00 0.50 0.00 0.00 46.19 44.73 2jkp s LEU 146 CO -0.10 -0.11 0.63 -0.36 -1.32 0.00 0.00 176.35 175.09 2jkp s PHE 147 N 1.53 1.97 0.11 5.38 0.08 0.03 -1.72 117.98 125.36 2jkp s PHE 147 Ca 0.04 -0.63 0.29 0.00 0.12 0.00 0.00 56.93 56.76 2jkp s PHE 147 Cb -0.16 -2.21 1.17 0.00 -0.57 0.00 0.00 43.02 41.25 2jkp s PHE 147 CO 0.02 -0.75 1.92 -0.91 -0.10 0.00 0.00 175.22 175.40 2jkp h ASN 148 N 0.48 0.00 -0.27 1.36 2.35 -1.95 -3.06 115.58 114.49 2jkp h ASN 148 Ca -0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 2jkp h ASN 148 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.66 2jkp h ASN 148 CO 0.46 0.09 0.00 -0.90 -1.65 0.00 0.00 177.43 175.43 2jkp n ASP 149 N -3.23 3.13 0.00 5.81 5.75 -1.26 -4.92 116.55 121.83 2jkp n ASP 149 Ca 0.00 -2.40 0.00 0.00 -0.01 0.00 0.00 54.79 52.39 2jkp n ASP 149 Cb 0.36 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 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 -0.02 -0.46 3.31 6.12 0.00 -1.16 -1.04 105.19 111.93 2jkp n GLY 150 Ca 0.14 -1.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 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 2.07 -0.02 0.99 2.96 0.45 -0.79 118.68 124.34 2jkp s LEU 151 Ca 0.00 -0.48 0.07 0.00 -0.22 0.00 0.00 54.13 53.50 2jkp s LEU 151 Cb 0.00 -1.31 -0.02 0.00 0.50 0.00 0.00 46.19 45.37 2jkp s LEU 151 CO 0.00 0.30 -0.25 -0.83 -1.32 0.00 0.00 176.35 174.26 2jkp s GLY 152 N -0.70 1.21 0.07 7.98 0.00 0.17 -0.66 107.32 115.38 2jkp s GLY 152 Ca 0.10 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.80 2jkp s GLY 152 CO -0.00 -0.85 -0.10 -0.11 0.00 0.00 0.00 173.10 172.04 2jkp s PHE 153 N -0.53 0.91 0.07 1.90 -0.12 -0.22 0.12 117.98 120.11 2jkp s PHE 153 Ca 0.08 -0.57 -0.04 0.00 -0.05 0.00 0.00 56.93 56.36 2jkp s PHE 153 Cb -0.10 -0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 41.74 2jkp s PHE 153 CO -0.00 -0.04 0.05 -0.98 -0.05 0.00 0.00 175.22 174.20 2jkp s ARG 154 N -2.13 0.72 0.12 1.99 1.70 -0.64 -0.47 118.95 120.24 2jkp s ARG 154 Ca -0.02 -1.15 -0.08 0.00 -0.47 0.00 0.00 55.73 54.00 2jkp s ARG 154 Cb -0.07 0.26 -0.06 0.00 -0.57 0.00 0.00 34.95 34.51 2jkp s ARG 154 CO 0.00 -0.18 0.41 0.71 -1.08 0.00 0.00 175.30 175.17 2jkp s TYR 155 N -3.91 3.52 -0.00 5.89 2.02 -1.26 -1.70 117.35 121.90 2jkp s TYR 155 Ca 0.08 0.71 0.03 0.00 -0.37 0.00 0.00 57.07 57.52 2jkp s TYR 155 Cb 0.07 -2.12 -0.01 0.00 -0.40 0.00 0.00 41.96 39.50 2jkp s TYR 155 CO -0.09 0.45 -0.08 -1.21 -1.57 0.00 0.00 175.55 173.04 2jkp s GLU 156 N -2.32 0.68 -0.41 -0.62 2.02 0.16 -0.97 118.70 117.25 2jkp s GLU 156 Ca 0.38 -0.32 0.02 0.00 0.02 0.00 0.00 54.97 55.07 2jkp s GLU 156 Cb -0.13 -0.65 0.12 0.00 0.10 0.00 0.00 34.13 33.57 2jkp s GLU 156 CO 0.21 0.18 0.17 -0.06 0.02 0.00 0.00 175.26 175.77 2jkp s PHE 157 N -0.24 2.68 0.58 1.61 0.08 0.58 -1.42 117.98 121.86 2jkp s PHE 157 Ca 0.03 -2.62 -0.19 0.00 0.12 0.00 0.00 56.93 54.26 2jkp s PHE 157 Cb -0.03 -2.35 -0.04 0.00 -0.57 0.00 0.00 43.02 40.03 2jkp s PHE 157 CO -0.00 -0.83 1.24 -2.14 -0.10 0.00 0.00 175.22 173.38 2jkp s PRO 158 N 0.59 3.00 0.17 0.24 0.02 -1.26 -1.69 135.00 136.06 2jkp s PRO 158 Ca 0.14 1.92 -0.31 0.00 0.02 0.00 0.00 61.00 62.77 2jkp s PRO 158 Cb -0.22 -2.01 -0.10 0.00 0.02 0.00 0.00 34.50 32.19 2jkp s PRO 158 CO -0.07 -1.21 1.56 -1.14 -0.33 0.00 0.00 177.00 175.81 2jkp s GLN 159 N -3.22 4.22 0.22 5.54 0.74 -1.26 -4.79 119.66 121.11 2jkp s GLN 159 Ca 0.76 2.35 -0.19 0.00 0.05 0.00 0.00 55.36 58.33 2jkp s GLN 159 Cb -0.33 -3.15 0.03 0.00 1.10 0.00 0.00 33.01 30.66 2jkp s GLN 159 CO 0.36 -0.60 0.60 1.14 -0.55 0.00 0.00 175.29 176.25 2jkp s GLN 160 N 1.06 1.50 0.19 1.67 -2.07 -1.22 -5.01 119.66 115.78 2jkp s GLN 160 Ca 0.69 -0.85 -0.14 0.00 -1.82 0.00 0.00 55.36 53.25 2jkp s GLN 160 Cb -0.44 0.56 0.19 0.00 -1.09 0.00 0.00 33.01 32.24 2jkp s GLN 160 CO 0.32 -0.66 1.67 -0.22 -1.32 0.00 0.00 175.29 175.08 2jkp h LYS 161 N 2.10 0.08 -0.65 9.60 3.11 -1.93 -2.81 116.57 126.05 2jkp h LYS 161 Ca -0.26 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.57 2jkp h LYS 161 Cb 1.27 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.48 2jkp h LYS 161 CO 0.33 0.05 0.00 0.43 -2.81 0.00 0.00 179.45 177.45 2jkp n SER 162 N -5.27 4.80 -3.44 4.20 7.64 -1.26 -4.79 113.62 115.49 2jkp n SER 162 Ca 0.05 -2.49 -0.18 0.00 1.01 0.00 0.00 58.87 57.27 2jkp n SER 162 Cb 0.28 -0.59 -0.11 0.00 -1.01 0.00 0.00 64.21 62.78 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 -1.90 -0.16 0.00 -3.43 2.96 -1.06 -4.95 118.68 110.13 2jkp s LEU 163 Ca 0.51 -0.52 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 2jkp s LEU 163 Cb 0.33 0.44 0.00 0.00 0.50 0.00 0.00 46.19 47.47 2jkp s LEU 163 CO 0.23 -0.36 0.00 0.59 -1.32 0.00 0.00 176.35 175.49 2jkp n ASN 164 N 5.31 0.00 -4.74 3.68 3.02 -1.26 -3.40 115.26 117.87 2jkp n ASN 164 Ca -0.04 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.14 2jkp n ASN 164 Cb 0.48 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.58 2jkp n ASN 164 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2jkp s TYR 165 N 0.00 3.54 0.11 3.10 2.02 -1.26 -0.53 117.35 124.32 2jkp s TYR 165 Ca 0.00 0.85 -0.14 0.00 -0.37 0.00 0.00 57.07 57.41 2jkp s TYR 165 Cb 0.00 -2.47 0.02 0.00 -0.40 0.00 0.00 41.96 39.11 2jkp s TYR 165 CO 0.00 0.26 0.33 -0.59 -1.57 0.00 0.00 175.55 173.98 2jkp s PHE 166 N 0.32 -0.09 -0.06 2.71 -0.12 -0.40 -5.00 117.98 115.34 2jkp s PHE 166 Ca 0.24 -0.25 0.05 0.00 -0.05 0.00 0.00 56.93 56.92 2jkp s PHE 166 Cb -0.15 0.15 -0.01 0.00 -0.63 0.00 0.00 43.02 42.39 2jkp s PHE 166 CO 0.09 -0.64 -0.23 0.08 -0.05 0.00 0.00 175.22 174.47 2jkp s VAL 167 N -3.74 1.90 -0.13 -2.49 1.01 -1.26 -0.13 120.40 115.57 2jkp s VAL 167 Ca 0.03 -0.97 -0.25 0.00 0.00 0.00 0.00 61.98 60.79 2jkp s VAL 167 Cb 0.03 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 2jkp s VAL 167 CO -0.11 0.53 0.78 -0.63 0.00 0.00 0.00 175.10 175.67 2jkp s ILE 168 N -0.01 4.95 -0.13 2.22 1.01 -0.27 -0.09 121.20 128.87 2jkp s ILE 168 Ca -0.07 1.56 -0.27 0.00 0.00 0.00 0.00 60.65 61.88 2jkp s ILE 168 Cb -0.14 -4.10 -0.26 0.00 0.01 0.00 0.00 42.46 37.97 2jkp s ILE 168 CO 0.04 0.11 0.72 0.50 0.00 0.00 0.00 174.94 176.32 2jkp h LYS 169 N 7.13 0.06 -2.03 2.79 3.64 -1.29 0.28 116.57 127.14 2jkp h LYS 169 Ca -0.34 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 58.89 2jkp h LYS 169 Cb 1.16 0.04 -0.19 0.00 -0.41 0.00 0.00 32.23 32.83 2jkp h LYS 169 CO 0.80 1.05 0.21 -2.00 -2.27 0.00 0.00 179.45 177.23 2jkp s GLU 170 N -2.28 1.05 -0.01 1.90 2.56 -0.99 -4.37 118.70 116.56 2jkp s GLU 170 Ca -0.19 0.22 -0.08 0.00 0.00 0.00 0.00 54.97 54.92 2jkp s GLU 170 Cb -0.01 0.49 -0.05 0.00 2.00 0.00 0.00 34.13 36.56 2jkp s GLU 170 CO 0.70 -0.33 0.27 -2.00 -0.56 0.00 0.00 175.26 173.34 2jkp s GLU 171 N -1.32 3.60 -0.53 4.30 2.12 -1.26 -1.51 118.70 124.10 2jkp s GLU 171 Ca -0.10 -0.03 0.07 0.00 0.36 0.00 0.00 54.97 55.27 2jkp s GLU 171 Cb -0.00 -3.11 0.34 0.00 0.26 0.00 0.00 34.13 31.62 2jkp s GLU 171 CO 0.08 0.67 0.89 0.72 -0.54 0.00 0.00 175.26 177.08 2jkp n HIS 172 N 1.31 3.08 -2.75 5.30 8.25 0.77 -4.56 115.22 126.62 2jkp n HIS 172 Ca -0.13 -3.96 -0.43 0.00 -0.26 0.00 0.00 57.72 52.95 2jkp n HIS 172 Cb 0.53 -0.47 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 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 -3.19 6.87 0.17 0.41 0.01 -1.26 -3.33 113.70 113.39 2jkp s SER 173 Ca 0.47 0.97 -0.02 0.00 1.31 0.00 0.00 55.95 58.68 2jkp s SER 173 Cb 0.29 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.98 2jkp s SER 173 CO -0.12 -0.75 0.37 -1.10 0.41 0.00 0.00 173.24 172.05 2jkp s GLN 174 N 3.34 3.54 -0.36 12.44 -0.21 -0.28 -1.04 119.66 137.08 2jkp s GLN 174 Ca 0.41 -0.28 0.00 0.00 0.02 0.00 0.00 55.36 55.51 2jkp s GLN 174 Cb -0.13 -2.86 0.13 0.00 1.00 0.00 0.00 33.01 31.15 2jkp s GLN 174 CO 0.13 0.43 0.20 -0.06 -2.12 0.00 0.00 175.29 173.87 2jkp s PHE 175 N -1.78 1.01 -0.32 0.91 0.08 0.17 -4.71 117.98 113.33 2jkp s PHE 175 Ca 0.39 -1.73 -0.28 0.00 0.12 0.00 0.00 56.93 55.43 2jkp s PHE 175 Cb -0.11 -1.17 0.01 0.00 -0.57 0.00 0.00 43.02 41.18 2jkp s PHE 175 CO 0.28 -0.82 1.01 0.20 -0.10 0.00 0.00 175.22 175.79 2jkp s GLY 176 N 1.05 1.58 0.44 4.36 0.00 -1.26 -1.45 107.32 112.04 2jkp s GLY 176 Ca 0.17 -0.16 -0.20 0.00 0.00 0.00 0.00 44.72 44.52 2jkp s GLY 176 CO -0.04 2.16 0.95 1.06 0.00 0.00 0.00 173.10 177.23 2jkp s MET 177 N 3.52 4.17 0.00 2.90 -1.94 0.38 -0.81 119.30 127.53 2jkp s MET 177 Ca 0.42 1.08 0.27 0.00 -1.71 0.00 0.00 55.69 55.75 2jkp s MET 177 Cb -0.12 -2.18 0.85 0.00 2.01 0.00 0.00 34.83 35.39 2jkp s MET 177 CO 0.15 -0.07 1.63 -1.71 -0.01 0.00 0.00 175.02 175.01 2jkp n ASN 178 N -0.82 0.59 -1.44 3.03 5.15 -1.26 -4.75 115.26 115.76 2jkp n ASN 178 Ca 0.07 -0.43 -0.02 0.00 -0.60 0.00 0.00 54.58 53.60 2jkp n ASN 178 Cb 0.54 0.05 0.01 0.00 -0.53 0.00 0.00 39.78 39.84 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 1.40 1.66 3.23 8.20 0.00 -1.26 -5.05 105.19 113.36 2jkp n GLY 179 Ca 0.10 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.07 5.15 -4.66 1.61 2.03 -1.26 -4.98 116.55 113.37 2jkp n ASP 180 Ca -0.02 -3.03 -0.30 0.00 0.52 0.00 0.00 54.79 51.96 2jkp n ASP 180 Cb 0.14 -1.54 0.17 0.00 -0.72 0.00 0.00 41.12 39.16 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 1.20 1.90 -0.01 -0.67 3.76 -1.26 -4.49 115.29 115.72 2jkp s HIS 181 Ca 0.42 1.48 -0.25 0.00 -0.15 0.00 0.00 55.06 56.56 2jkp s HIS 181 Cb 0.02 -3.20 -0.04 0.00 1.11 0.00 0.00 32.58 30.47 2jkp s HIS 181 CO 0.00 -2.77 0.77 0.42 -0.85 0.00 0.00 174.74 172.32 2jkp s ILE 182 N -2.73 4.88 0.11 0.60 1.01 -0.76 -0.99 121.20 123.32 2jkp s ILE 182 Ca 0.65 1.62 0.10 0.00 0.00 0.00 0.00 60.65 63.03 2jkp s ILE 182 Cb -0.21 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 2jkp s ILE 182 CO 0.59 0.29 -0.26 0.00 0.00 0.00 0.00 174.94 175.55 2jkp s ALA 183 N 0.45 2.32 -0.36 9.38 0.00 0.25 -0.77 121.76 133.02 2jkp s ALA 183 Ca 0.40 -1.41 -0.02 0.00 0.00 0.00 0.00 51.96 50.93 2jkp s ALA 183 Cb -0.19 -0.39 0.08 0.00 0.00 0.00 0.00 23.12 22.62 2jkp s ALA 183 CO 0.22 0.53 0.12 -0.06 0.00 0.00 0.00 175.76 176.56 2jkp s PHE 184 N -1.01 3.47 0.06 0.00 0.08 0.25 -1.59 117.98 119.24 2jkp s PHE 184 Ca 0.13 -2.20 0.01 0.00 0.12 0.00 0.00 56.93 55.00 2jkp s PHE 184 Cb -0.10 -2.76 -0.03 0.00 -0.57 0.00 0.00 43.02 39.56 2jkp s PHE 184 CO 0.05 -0.90 -0.06 1.67 -0.10 0.00 0.00 175.22 175.88 2jkp s TRP 185 N 1.18 0.69 0.19 0.36 1.48 -0.63 -3.57 118.94 118.64 2jkp s TRP 185 Ca 0.03 -0.74 0.11 0.00 -1.06 0.00 0.00 56.10 54.44 2jkp s TRP 185 Cb -0.21 -0.42 -0.04 0.00 -1.16 0.00 0.00 33.47 31.63 2jkp s TRP 185 CO -0.03 -0.16 -0.20 0.96 -4.06 0.00 0.00 176.95 173.46 2jkp s ILE 186 N -2.58 2.56 0.22 0.66 -4.36 -1.26 -0.88 121.20 115.56 2jkp s ILE 186 Ca -0.00 -1.94 -0.32 0.00 -0.26 0.00 0.00 60.65 58.13 2jkp s ILE 186 Cb -0.02 -2.24 -0.13 0.00 1.25 0.00 0.00 42.46 41.32 2jkp s ILE 186 CO -0.03 -0.12 1.48 -2.65 0.24 0.00 0.00 174.94 173.86 2jkp n PRO 187 N 0.21 2.13 -1.68 0.37 -0.02 -1.26 -1.55 135.00 133.19 2jkp n PRO 187 Ca -0.12 0.76 -0.45 0.00 -2.02 0.00 0.00 63.50 61.67 2jkp n PRO 187 Cb 0.56 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 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 2.54 1.17 3.59 -1.23 0.00 0.88 -4.34 105.19 107.81 2jkp n GLY 188 Ca 0.13 0.62 -0.07 0.00 0.00 0.00 0.00 46.02 46.70 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 0.87 -0.89 0.00 1.61 -1.08 -1.26 -3.36 116.67 112.55 2jkp s ASP 189 Ca 0.76 1.43 0.24 0.00 -0.52 0.00 0.00 52.55 54.46 2jkp s ASP 189 Cb -0.63 1.35 1.16 0.00 -1.46 0.00 0.00 42.92 43.34 2jkp s ASP 189 CO 0.39 -0.23 1.79 -1.22 0.52 0.00 0.00 175.17 176.41 2jkp n TYR 190 N 4.38 0.00 0.00 -5.34 4.01 -0.13 -4.43 117.16 115.64 2jkp n TYR 190 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 2jkp n TYR 190 Cb 0.58 -0.34 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 -1.34 2.02 -4.12 7.72 8.00 -1.26 -2.40 116.55 125.17 2jkp n ASP 191 Ca 0.10 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.47 2jkp n ASP 191 Cb 0.21 0.22 -0.11 0.00 -0.02 0.00 0.00 41.12 41.43 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 -1.35 0.66 -0.19 -3.53 -1.32 -1.24 -4.71 115.64 103.96 2jkp s THR 192 Ca 0.00 -1.45 0.09 0.00 -1.21 0.00 0.00 61.69 59.12 2jkp s THR 192 Cb 0.00 -1.08 0.18 0.00 -1.51 0.00 0.00 72.50 70.09 2jkp s THR 192 CO 0.00 -0.56 1.12 0.00 -2.21 0.00 0.00 174.62 172.97 2jkp n GLN 193 N 0.84 2.48 -0.82 7.08 3.00 -1.26 -4.68 117.38 124.02 2jkp n GLN 193 Ca -0.18 -2.02 -0.09 0.00 -0.01 0.00 0.00 57.00 54.70 2jkp n GLN 193 Cb 0.57 -1.26 -0.07 0.00 0.00 0.00 0.00 30.24 29.48 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 -0.62 1.59 -4.08 -1.09 1.02 -1.26 -3.53 120.64 112.67 2jkp n GLU 194 Ca 0.08 -0.74 -0.31 0.00 -0.02 0.00 0.00 57.16 56.18 2jkp n GLU 194 Cb 0.45 -1.55 -0.07 0.00 -0.02 0.00 0.00 31.44 30.25 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 0.10 3.15 0.42 -0.32 2.02 -1.26 -4.70 117.35 116.77 2jkp s TYR 195 Ca 0.35 0.07 -0.24 0.00 -0.37 0.00 0.00 57.07 56.88 2jkp s TYR 195 Cb 0.18 -1.62 -0.08 0.00 -0.40 0.00 0.00 41.96 40.04 2jkp s TYR 195 CO -0.02 0.51 1.11 -0.51 -1.57 0.00 0.00 175.55 175.07 2jkp s ASP 196 N -2.28 6.50 0.60 2.29 1.01 -1.26 -4.47 116.67 119.06 2jkp s ASP 196 Ca 0.28 2.18 -0.16 0.00 0.71 0.00 0.00 52.55 55.56 2jkp s ASP 196 Cb -0.12 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.18 2jkp s ASP 196 CO 0.20 -0.68 1.07 -0.31 0.21 0.00 0.00 175.17 175.66 2jkp s TYR 197 N -1.58 2.89 -0.04 4.23 1.51 -1.26 -4.77 117.35 118.33 2jkp s TYR 197 Ca 0.60 1.52 0.05 0.00 -1.01 0.00 0.00 57.07 58.23 2jkp s TYR 197 Cb -0.26 -3.06 -0.02 0.00 -0.11 0.00 0.00 41.96 38.51 2jkp s TYR 197 CO 0.32 -1.25 -0.18 0.99 -1.11 0.00 0.00 175.55 174.31 2jkp s THR 198 N -2.38 2.72 -0.28 -0.71 2.01 -0.06 -4.95 115.64 112.00 2jkp s THR 198 Ca 0.65 -0.85 -0.09 0.00 0.31 0.00 0.00 61.69 61.71 2jkp s THR 198 Cb -0.17 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 2jkp s THR 198 CO 0.37 0.59 0.12 -0.63 -0.69 0.00 0.00 174.62 174.38 2jkp s ILE 199 N -0.68 4.59 0.29 1.82 1.01 -1.26 -1.61 121.20 125.36 2jkp s ILE 199 Ca 0.11 -0.20 -0.20 0.00 0.00 0.00 0.00 60.65 60.35 2jkp s ILE 199 Cb -0.10 -3.23 0.03 0.00 0.01 0.00 0.00 42.46 39.17 2jkp s ILE 199 CO 0.00 0.22 0.75 -0.94 0.00 0.00 0.00 174.94 174.97 2jkp s SER 200 N 1.64 -0.21 0.71 3.58 1.04 -0.62 -4.97 113.70 114.88 2jkp s SER 200 Ca 0.06 -0.68 -0.13 0.00 0.48 0.00 0.00 55.95 55.68 2jkp s SER 200 Cb -0.16 0.73 0.03 0.00 0.10 0.00 0.00 66.02 66.72 2jkp s SER 200 CO 0.06 -1.37 1.09 -0.13 0.98 0.00 0.00 173.24 173.87 2jkp s ARG 201 N -3.62 2.59 0.39 4.02 1.81 -1.26 0.87 118.95 123.75 2jkp s ARG 201 Ca 0.12 1.23 0.05 0.00 -1.72 0.00 0.00 55.73 55.42 2jkp s ARG 201 Cb -0.06 -1.93 0.78 0.00 -0.45 0.00 0.00 34.95 33.29 2jkp s ARG 201 CO 0.07 -1.40 2.04 -0.07 -0.68 0.00 0.00 175.30 175.26 2jkp h LEU 202 N -0.56 0.55 -1.06 2.53 3.38 -1.29 -2.21 115.31 116.65 2jkp h LEU 202 Ca -0.45 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2jkp h LEU 202 Cb 1.23 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2jkp h LEU 202 CO 0.53 0.41 0.00 0.77 0.09 0.00 0.00 178.44 180.24 2jkp h SER 203 N 0.65 0.00 0.26 -0.43 4.64 -1.90 -2.95 113.55 113.82 2jkp h SER 203 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2jkp h SER 203 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2jkp h SER 203 CO -0.04 0.00 -0.66 -0.62 -0.87 0.00 0.00 176.83 174.64 2jkp n GLU 204 N -2.65 0.16 0.11 4.77 1.02 -0.84 -4.47 120.64 118.73 2jkp n GLU 204 Ca 0.01 -0.11 -0.12 0.00 -0.02 0.00 0.00 57.16 56.92 2jkp n GLU 204 Cb 0.27 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.14 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 0.27 0.49 -0.67 -3.67 2.04 -1.45 -2.32 117.51 112.21 2jkp h ILE 205 Ca 0.00 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.00 2jkp h ILE 205 Cb 0.52 0.49 -0.12 0.00 -0.74 0.00 0.00 36.82 36.97 2jkp h ILE 205 CO 0.00 0.00 -0.06 -0.09 0.00 0.00 0.00 178.15 178.00 2jkp h ARG 206 N -0.42 0.06 0.00 2.37 2.43 -1.78 0.49 114.38 117.53 2jkp h ARG 206 Ca 0.03 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 2jkp h ARG 206 Cb 0.45 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2jkp h ARG 206 CO -0.13 0.04 -0.20 0.78 -1.51 0.00 0.00 179.97 178.94 2jkp h GLY 207 N 0.06 0.00 0.09 2.80 0.00 -1.77 -3.17 103.07 101.09 2jkp h GLY 207 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2jkp h GLY 207 CO -0.63 0.00 -0.80 1.04 0.00 0.00 0.00 176.54 176.16 2jkp n LEU 208 N -4.15 1.03 -0.10 3.11 4.77 0.04 -4.60 117.00 117.10 2jkp n LEU 208 Ca -0.02 -0.42 -0.07 0.00 -0.03 0.00 0.00 56.01 55.47 2jkp n LEU 208 Cb 0.27 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.31 2jkp n LEU 208 CO 0.36 0.24 0.94 -0.03 -1.33 0.00 0.00 177.39 177.56 2jkp h MET 209 N 0.37 0.27 -0.23 3.23 4.05 -1.18 -0.89 114.93 120.55 2jkp h MET 209 Ca 0.00 -0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.46 2jkp h MET 209 Cb 0.53 -0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 31.21 2jkp h MET 209 CO 0.00 0.18 -0.17 -0.22 0.23 0.00 0.00 176.91 176.93 2jkp h LYS 210 N 0.28 -0.16 0.00 0.39 3.11 -1.81 -1.39 116.57 116.99 2jkp h LYS 210 Ca 0.15 0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 57.91 2jkp h LYS 210 Cb 0.11 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.36 2jkp h LYS 210 CO -0.14 -0.10 -0.41 1.05 -2.81 0.00 0.00 179.45 177.03 2jkp h GLU 211 N -0.16 0.00 0.00 1.90 4.11 -1.80 -3.09 114.58 115.54 2jkp h GLU 211 Ca 0.13 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.51 2jkp h GLU 211 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2jkp h GLU 211 CO -0.33 0.41 -0.22 0.00 0.07 0.00 0.00 179.01 178.95 2jkp h ALA 212 N 1.59 1.32 -1.76 1.06 0.00 -0.11 -3.38 119.26 117.97 2jkp h ALA 212 Ca -0.00 -0.20 -0.62 0.00 0.00 0.00 0.00 54.91 54.08 2jkp h ALA 212 Cb 0.84 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.46 2jkp h ALA 212 CO 0.05 0.28 0.54 0.42 0.00 0.00 0.00 179.25 180.54 2jkp s ILE 213 N -4.16 4.38 0.49 0.00 1.01 -0.77 -4.81 121.20 117.34 2jkp s ILE 213 Ca -0.02 0.02 0.06 0.00 0.00 0.00 0.00 60.65 60.70 2jkp s ILE 213 Cb 0.13 -4.58 0.03 0.00 0.01 0.00 0.00 42.46 38.05 2jkp s ILE 213 CO 0.65 -1.23 0.67 0.42 0.00 0.00 0.00 174.94 175.45 2jkp s THR 214 N 3.96 2.76 0.34 2.92 -4.23 -1.26 -4.99 115.64 115.14 2jkp s THR 214 Ca 0.27 -0.89 -0.28 0.00 -1.18 0.00 0.00 61.69 59.62 2jkp s THR 214 Cb -0.14 -2.88 -0.09 0.00 1.34 0.00 0.00 72.50 70.73 2jkp s THR 214 CO 0.16 0.00 1.19 -2.84 -0.54 0.00 0.00 174.62 172.58 2jkp s PRO 215 N -4.54 4.35 -0.07 3.99 0.02 -1.26 -5.04 135.00 132.44 2jkp s PRO 215 Ca 0.57 1.94 -0.18 0.00 0.02 0.00 0.00 61.00 63.35 2jkp s PRO 215 Cb -0.09 -2.97 0.04 0.00 0.02 0.00 0.00 34.50 31.50 2jkp s PRO 215 CO 0.36 -0.10 0.42 1.21 -0.33 0.00 0.00 177.00 178.56 2jkp s ASN 216 N -0.86 -0.36 0.43 2.53 3.84 -1.26 -5.04 114.94 114.22 2jkp s ASN 216 Ca 0.50 0.47 0.30 0.00 0.21 0.00 0.00 52.86 54.34 2jkp s ASN 216 Cb -0.34 0.55 1.31 0.00 -0.55 0.00 0.00 41.25 42.22 2jkp s ASN 216 CO 0.44 -0.38 1.89 0.77 -2.79 0.00 0.00 177.10 177.03 2jkp h SER 217 N 4.25 0.00 -2.87 -4.21 4.64 -2.00 -3.37 113.55 109.99 2jkp h SER 217 Ca -0.28 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.62 2jkp h SER 217 Cb 1.17 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.87 2jkp h SER 217 CO 0.34 0.00 -0.71 -0.55 -0.87 0.00 0.00 176.83 175.04 2jkp s SER 218 N -4.93 2.13 -0.18 4.97 0.15 -1.26 -4.67 113.70 109.91 2jkp s SER 218 Ca 0.01 -0.54 -0.13 0.00 0.70 0.00 0.00 55.95 55.99 2jkp s SER 218 Cb 0.09 -0.06 0.05 0.00 -1.71 0.00 0.00 66.02 64.40 2jkp s SER 218 CO 0.44 -0.35 0.45 0.00 1.20 0.00 0.00 173.24 174.98 2jkp s GLN 219 N 2.19 0.48 -0.39 5.44 -2.07 -1.26 -3.67 119.66 120.38 2jkp s GLN 219 Ca 0.04 0.75 0.01 0.00 -1.82 0.00 0.00 55.36 54.34 2jkp s GLN 219 Cb -0.16 0.12 0.14 0.00 -1.09 0.00 0.00 33.01 32.02 2jkp s GLN 219 CO -0.12 -0.11 0.24 0.99 -1.32 0.00 0.00 175.29 174.97 2jkp s THR 220 N 0.90 0.47 0.67 3.63 2.01 -1.26 -4.93 115.64 117.14 2jkp s THR 220 Ca -0.05 -2.09 -0.15 0.00 0.31 0.00 0.00 61.69 59.71 2jkp s THR 220 Cb -0.06 -1.34 0.01 0.00 0.01 0.00 0.00 72.50 71.12 2jkp s THR 220 CO -0.07 -1.01 1.15 -2.84 -0.69 0.00 0.00 174.62 171.15 2jkp s PRO 221 N 0.71 2.61 0.00 4.92 0.02 -1.26 -0.96 135.00 141.04 2jkp s PRO 221 Ca 0.21 1.55 0.00 0.00 0.02 0.00 0.00 61.00 62.78 2jkp s PRO 221 Cb -0.18 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.43 2jkp s PRO 221 CO -0.03 -1.43 0.00 1.97 -0.33 0.00 0.00 177.00 177.18 2jkp n PHE 222 N -2.41 0.00 -3.64 6.54 1.16 -1.22 -4.91 117.46 112.98 2jkp n PHE 222 Ca 0.12 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.57 2jkp n PHE 222 Cb 0.51 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.31 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 -1.03 -0.77 0.63 5.98 0.15 -1.26 -4.96 113.70 112.44 2jkp s SER 223 Ca 0.00 1.44 0.36 0.00 0.70 0.00 0.00 55.95 58.45 2jkp s SER 223 Cb 0.00 1.43 2.07 0.00 -1.71 0.00 0.00 66.02 67.81 2jkp s SER 223 CO 0.00 -0.24 2.27 1.56 1.20 0.00 0.00 173.24 178.03 2jkp h GLN 224 N 5.42 0.00 0.00 5.44 1.08 -1.98 -1.75 115.11 123.32 2jkp h GLN 224 Ca -0.29 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.89 2jkp h GLN 224 Cb 1.17 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.57 2jkp h GLN 224 CO 0.08 0.00 -0.41 0.25 -0.95 0.00 0.00 178.83 177.80 2jkp n THR 225 N -3.44 1.84 -3.27 -0.54 -2.24 -1.26 -4.08 114.28 101.29 2jkp n THR 225 Ca -0.02 -2.66 -0.39 0.00 -2.27 0.00 0.00 64.05 58.71 2jkp n THR 225 Cb 0.12 -0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.19 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 -2.95 2.60 0.13 3.38 0.00 -0.66 -1.18 107.32 108.65 2jkp s GLY 226 Ca 0.35 -0.01 0.03 0.00 0.00 0.00 0.00 44.72 45.09 2jkp s GLY 226 CO -0.05 0.59 -0.07 -1.34 0.00 0.00 0.00 173.10 172.23 2jkp s VAL 227 N -0.54 0.90 0.51 1.40 -7.23 -0.32 -0.08 120.40 115.04 2jkp s VAL 227 Ca 0.29 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.45 2jkp s VAL 227 Cb -0.18 -1.79 0.01 0.00 0.56 0.00 0.00 36.38 34.97 2jkp s VAL 227 CO 0.17 -0.78 0.76 -1.10 -0.31 0.00 0.00 175.10 173.84 2jkp s GLN 228 N -3.80 2.95 0.22 4.82 -0.21 -0.60 -1.00 119.66 122.04 2jkp s GLN 228 Ca 0.15 -0.35 0.08 0.00 0.02 0.00 0.00 55.36 55.26 2jkp s GLN 228 Cb 0.04 -2.45 -0.04 0.00 1.00 0.00 0.00 33.01 31.56 2jkp s GLN 228 CO -0.02 -0.48 0.05 0.95 -2.12 0.00 0.00 175.29 173.68 2jkp s THR 229 N -2.73 3.85 0.25 -0.19 -4.23 -1.26 -3.83 115.64 107.50 2jkp s THR 229 Ca 0.51 -1.56 -0.30 0.00 -1.18 0.00 0.00 61.69 59.17 2jkp s THR 229 Cb -0.10 -3.01 -0.09 0.00 1.34 0.00 0.00 72.50 70.63 2jkp s THR 229 CO 0.40 -0.25 1.22 0.00 -0.54 0.00 0.00 174.62 175.46 2jkp s ALA 230 N -2.02 3.47 -0.17 3.99 0.00 -1.26 -4.98 121.76 120.79 2jkp s ALA 230 Ca 0.30 1.05 -0.07 0.00 0.00 0.00 0.00 51.96 53.25 2jkp s ALA 230 Cb -0.08 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 2jkp s ALA 230 CO 0.21 -0.42 0.05 -1.17 0.00 0.00 0.00 175.76 174.43 2jkp s LEU 231 N -0.96 3.76 -0.07 0.00 2.96 -0.69 -4.65 118.68 119.03 2jkp s LEU 231 Ca 0.50 0.08 0.02 0.00 -0.22 0.00 0.00 54.13 54.51 2jkp s LEU 231 Cb -0.35 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.37 2jkp s LEU 231 CO 0.43 0.20 -0.11 -0.32 -1.32 0.00 0.00 176.35 175.22 2jkp s MET 232 N 0.24 2.77 0.06 1.98 -2.45 -1.23 -0.91 119.30 119.75 2jkp s MET 232 Ca 0.03 -0.64 0.01 0.00 -1.25 0.00 0.00 55.69 53.85 2jkp s MET 232 Cb -0.12 -2.51 -0.03 0.00 1.25 0.00 0.00 34.83 33.41 2jkp s MET 232 CO 0.01 0.56 -0.06 -1.64 1.05 0.00 0.00 175.02 174.94 2jkp s MET 233 N -0.55 0.61 -0.09 4.11 -1.94 0.10 -0.58 119.30 120.95 2jkp s MET 233 Ca 0.08 -0.98 0.02 0.00 -1.71 0.00 0.00 55.69 53.10 2jkp s MET 233 Cb -0.12 -0.15 0.01 0.00 2.01 0.00 0.00 34.83 36.58 2jkp s MET 233 CO 0.02 -0.00 -0.14 0.21 -0.01 0.00 0.00 175.02 175.10 2jkp s LYS 234 N -2.57 1.99 0.22 2.03 2.20 0.05 -1.23 119.74 122.43 2jkp s LYS 234 Ca -0.02 -0.49 0.02 0.00 -0.36 0.00 0.00 55.97 55.12 2jkp s LYS 234 Cb -0.03 -1.70 -0.04 0.00 -1.51 0.00 0.00 37.83 34.55 2jkp s LYS 234 CO -0.03 -0.04 0.38 0.95 -0.36 0.00 0.00 175.35 176.25 2jkp s THR 235 N 0.92 5.24 0.45 3.43 -4.23 0.13 -1.83 115.64 119.75 2jkp s THR 235 Ca -0.09 -0.63 0.38 0.00 -1.18 0.00 0.00 61.69 60.17 2jkp s THR 235 Cb -0.15 -3.79 0.40 0.00 1.34 0.00 0.00 72.50 70.30 2jkp s THR 235 CO 0.00 -0.25 2.20 0.44 -0.54 0.00 0.00 174.62 176.47 2jkp h ASP 236 N 1.64 0.00 -0.86 3.99 3.32 -1.91 -2.43 116.42 120.16 2jkp h ASP 236 Ca -0.49 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.09 2jkp h ASP 236 Cb 1.21 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.49 2jkp h ASP 236 CO 0.65 0.02 0.59 -0.90 -1.72 0.00 0.00 179.24 177.89 2jkp n ASP 237 N -3.21 4.10 0.00 6.45 5.75 -1.26 -4.91 116.55 123.47 2jkp n ASP 237 Ca -0.02 -3.41 0.00 0.00 -0.01 0.00 0.00 54.79 51.35 2jkp n ASP 237 Cb 0.17 -0.82 0.00 0.00 -1.03 0.00 0.00 41.12 39.44 2jkp n ASP 237 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jkp n GLY 238 N -0.88 0.57 3.81 6.12 0.00 -0.91 -5.05 105.19 108.84 2jkp n GLY 238 Ca 0.52 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 3.82 -0.07 0.99 1.43 -1.25 -4.41 118.68 119.19 2jkp s LEU 239 Ca 0.00 -0.15 0.05 0.00 -1.03 0.00 0.00 54.13 53.00 2jkp s LEU 239 Cb 0.00 -2.41 -0.01 0.00 0.03 0.00 0.00 46.19 43.80 2jkp s LEU 239 CO 0.00 0.05 -0.24 -0.31 0.23 0.00 0.00 176.35 176.08 2jkp s TYR 240 N -1.83 2.38 -0.04 0.29 2.02 0.44 -0.69 117.35 119.91 2jkp s TYR 240 Ca 0.31 -0.78 0.01 0.00 -0.37 0.00 0.00 57.07 56.23 2jkp s TYR 240 Cb -0.10 -1.57 0.02 0.00 -0.40 0.00 0.00 41.96 39.92 2jkp s TYR 240 CO 0.24 -0.27 -0.03 0.42 -1.57 0.00 0.00 175.55 174.34 2jkp s ILE 241 N 0.01 0.43 -0.13 2.71 1.01 -0.36 -2.40 121.20 122.47 2jkp s ILE 241 Ca -0.08 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.54 2jkp s ILE 241 Cb -0.15 -0.49 0.01 0.00 0.01 0.00 0.00 42.46 41.85 2jkp s ILE 241 CO 0.05 0.21 -0.19 0.21 0.00 0.00 0.00 174.94 175.22 2jkp s ASN 242 N 1.05 2.84 -0.17 3.58 3.84 -0.10 0.01 114.94 125.98 2jkp s ASN 242 Ca -0.09 -0.53 -0.04 0.00 0.21 0.00 0.00 52.86 52.40 2jkp s ASN 242 Cb -0.14 -1.30 -0.03 0.00 -0.55 0.00 0.00 41.25 39.23 2jkp s ASN 242 CO -0.01 0.05 -0.02 -0.76 -2.79 0.00 0.00 177.10 173.57 2jkp s LEU 243 N 0.91 3.31 0.00 3.21 1.43 -0.09 -1.39 118.68 126.07 2jkp s LEU 243 Ca -0.06 -0.12 -0.04 0.00 -1.03 0.00 0.00 54.13 52.88 2jkp s LEU 243 Cb -0.15 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.27 2jkp s LEU 243 CO -0.02 0.15 0.23 1.57 0.23 0.00 0.00 176.35 178.51 2jkp n HIS 244 N 3.65 -1.28 -4.27 0.29 -0.00 -0.70 -1.70 115.22 111.21 2jkp n HIS 244 Ca -0.17 -0.62 -0.14 0.00 0.46 0.00 0.00 57.72 57.24 2jkp n HIS 244 Cb 0.52 0.26 -0.10 0.00 -0.12 0.00 0.00 29.99 30.56 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 -2.08 1.19 0.02 1.57 -1.05 -1.26 -0.89 118.70 116.19 2jkp s GLU 245 Ca 0.06 -1.59 0.01 0.00 -0.15 0.00 0.00 54.97 53.30 2jkp s GLU 245 Cb -0.01 -0.33 -0.01 0.00 -0.44 0.00 0.00 34.13 33.34 2jkp s GLU 245 CO 0.04 -0.15 -0.04 0.00 0.95 0.00 0.00 175.26 176.07 2jkp s ALA 246 N -3.63 0.25 -0.77 -0.84 0.00 -0.37 -4.78 121.76 111.62 2jkp s ALA 246 Ca 0.27 -0.41 -0.04 0.00 0.00 0.00 0.00 51.96 51.78 2jkp s ALA 246 Cb 0.06 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 2jkp s ALA 246 CO 0.06 -0.04 0.67 0.00 0.00 0.00 0.00 175.76 176.45 2jkp n ALA 247 N 2.20 -1.88 -2.75 0.00 0.00 -0.32 -1.50 120.51 116.25 2jkp n ALA 247 Ca -0.19 0.08 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 2jkp n ALA 247 Cb 0.57 -4.06 -0.03 0.00 0.00 0.00 0.00 19.45 15.93 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 -4.78 4.22 -0.04 0.00 2.96 -1.26 -4.42 118.68 115.36 2jkp s LEU 248 Ca 0.29 -1.49 -0.02 0.00 -0.22 0.00 0.00 54.13 52.70 2jkp s LEU 248 Cb -0.04 -2.48 0.03 0.00 0.50 0.00 0.00 46.19 44.21 2jkp s LEU 248 CO 0.53 -1.36 0.09 -0.69 -1.32 0.00 0.00 176.35 173.61 2jkp s VAL 249 N 4.01 -0.05 -1.51 1.68 1.01 -1.26 -4.81 120.40 119.48 2jkp s VAL 249 Ca 0.35 0.17 -0.10 0.00 0.00 0.00 0.00 61.98 62.40 2jkp s VAL 249 Cb -0.06 -0.17 0.07 0.00 0.00 0.00 0.00 36.38 36.23 2jkp s VAL 249 CO -0.03 0.07 0.83 0.47 0.00 0.00 0.00 175.10 176.43 2jkp n ASP 250 N 4.05 -3.29 -3.48 3.32 8.00 -1.26 -4.81 116.55 119.07 2jkp n ASP 250 Ca -0.25 -0.86 -0.10 0.00 0.71 0.00 0.00 54.79 54.29 2jkp n ASP 250 Cb 0.52 -3.61 -0.02 0.00 -0.02 0.00 0.00 41.12 37.99 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 -3.45 -0.45 0.15 1.24 5.04 -1.26 -4.96 117.35 113.65 2jkp s TYR 251 Ca 0.47 0.25 -0.23 0.00 -2.44 0.00 0.00 57.07 55.12 2jkp s TYR 251 Cb -0.24 0.56 -0.08 0.00 0.35 0.00 0.00 41.96 42.55 2jkp s TYR 251 CO 0.85 -0.78 0.72 0.45 -1.34 0.00 0.00 175.55 175.46 2jkp s SER 252 N -2.69 7.29 0.19 4.32 0.15 -1.26 -4.18 113.70 117.52 2jkp s SER 252 Ca 0.03 1.54 -0.33 0.00 0.70 0.00 0.00 55.95 57.89 2jkp s SER 252 Cb -0.01 -2.46 -0.14 0.00 -1.71 0.00 0.00 66.02 61.70 2jkp s SER 252 CO -0.10 0.21 1.52 0.00 1.20 0.00 0.00 173.24 176.07 2jkp s MET 254 N 0.43 4.37 0.55 0.00 1.75 -1.26 -2.35 119.30 122.78 2jkp s MET 254 Ca 0.75 0.85 0.05 0.00 -1.25 0.00 0.00 55.69 56.08 2jkp s MET 254 Cb -0.66 -3.49 0.04 0.00 2.84 0.00 0.00 34.83 33.55 2jkp s MET 254 CO 0.42 -0.06 0.35 -1.01 -0.65 0.00 0.00 175.02 174.07 2jkp s HIS 255 N 1.25 1.57 -0.04 4.11 3.76 0.32 -4.49 115.29 121.76 2jkp s HIS 255 Ca 0.36 -0.89 0.06 0.00 -0.15 0.00 0.00 55.06 54.44 2jkp s HIS 255 Cb -0.17 -1.85 -0.01 0.00 1.11 0.00 0.00 32.58 31.66 2jkp s HIS 255 CO 0.15 -0.41 -0.22 -0.51 -0.85 0.00 0.00 174.74 172.91 2jkp s LEU 256 N -4.24 2.01 -0.24 0.89 1.43 -0.17 -0.85 118.68 117.51 2jkp s LEU 256 Ca 0.28 -0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 52.90 2jkp s LEU 256 Cb -0.02 -1.17 -0.01 0.00 0.03 0.00 0.00 46.19 45.02 2jkp s LEU 256 CO 0.18 0.22 0.01 0.21 0.23 0.00 0.00 176.35 177.20 2jkp s ASN 257 N -0.19 4.68 -0.18 2.29 2.47 0.23 -1.17 114.94 123.06 2jkp s ASN 257 Ca -0.00 -0.39 -0.28 0.00 0.42 0.00 0.00 52.86 52.60 2jkp s ASN 257 Cb -0.12 -1.81 -0.00 0.00 -1.45 0.00 0.00 41.25 37.87 2jkp s ASN 257 CO 0.02 -0.05 0.96 -0.22 -3.72 0.00 0.00 177.10 174.09 2jkp s LEU 258 N 1.52 4.16 -0.71 3.21 2.96 -0.32 -1.66 118.68 127.83 2jkp s LEU 258 Ca 0.05 1.35 -0.23 0.00 -0.22 0.00 0.00 54.13 55.08 2jkp s LEU 258 Cb -0.15 -3.45 0.07 0.00 0.50 0.00 0.00 46.19 43.16 2jkp s LEU 258 CO -0.00 -0.53 1.06 -0.62 -1.32 0.00 0.00 176.35 174.94 2jkp s ASP 259 N 1.17 6.22 0.00 3.68 -1.08 0.18 -4.80 116.67 122.04 2jkp s ASP 259 Ca 0.43 -0.98 0.25 0.00 -0.52 0.00 0.00 52.55 51.73 2jkp s ASP 259 Cb -0.16 -2.45 1.32 0.00 -1.46 0.00 0.00 42.92 40.17 2jkp s ASP 259 CO 0.11 -1.50 1.87 -0.90 0.52 0.00 0.00 175.17 175.27 2jkp n ASP 260 N 8.00 0.42 0.16 -0.34 5.68 -1.26 -0.59 116.55 128.62 2jkp n ASP 260 Ca 0.01 -1.33 0.13 0.00 -0.50 0.00 0.00 54.79 53.10 2jkp n ASP 260 Cb 0.47 -0.01 0.37 0.00 -1.14 0.00 0.00 41.12 40.80 2jkp n ASP 260 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2jkp h LYS 261 N 0.61 0.00 0.00 0.11 1.57 -1.96 -3.37 116.57 113.52 2jkp h LYS 261 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jkp h LYS 261 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2jkp h LYS 261 CO 0.00 0.00 -0.57 -1.71 -0.57 0.00 0.00 179.45 176.60 2jkp n ASN 262 N -2.59 2.87 -2.13 0.86 4.05 -0.93 -5.00 115.26 112.38 2jkp n ASN 262 Ca 0.04 0.00 -0.17 0.00 0.45 0.00 0.00 54.58 54.90 2jkp n ASN 262 Cb 0.42 0.44 -0.03 0.00 1.23 0.00 0.00 39.78 41.84 2jkp n ASN 262 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 2jkp n MET 263 N -1.10 -1.75 -3.37 1.20 2.81 0.24 -4.76 117.12 110.40 2jkp n MET 263 Ca 0.00 0.89 -0.41 0.00 -1.81 0.00 0.00 57.70 56.38 2jkp n MET 263 Cb 0.14 -5.43 -0.09 0.00 -0.71 0.00 0.00 33.22 27.12 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 -2.74 5.14 0.38 2.03 1.01 -1.02 -0.47 120.40 124.73 2jkp s VAL 264 Ca 0.00 0.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.88 2jkp s VAL 264 Cb 0.00 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.44 2jkp s VAL 264 CO 0.00 -0.10 0.99 -0.36 0.00 0.00 0.00 175.10 175.63 2jkp s PHE 265 N 2.10 3.41 0.00 5.22 0.40 -0.53 -0.65 117.98 127.93 2jkp s PHE 265 Ca 0.13 1.68 0.01 0.00 -0.60 0.00 0.00 56.93 58.16 2jkp s PHE 265 Cb -0.16 -3.00 -0.00 0.00 0.51 0.00 0.00 43.02 40.36 2jkp s PHE 265 CO 0.12 -0.25 -0.04 -2.00 0.70 0.00 0.00 175.22 173.75 2jkp s GLU 266 N -2.51 0.32 0.25 0.44 2.12 -0.67 0.45 118.70 119.11 2jkp s GLU 266 Ca 0.56 -0.19 -0.29 0.00 0.36 0.00 0.00 54.97 55.41 2jkp s GLU 266 Cb -0.18 -0.29 -0.15 0.00 0.26 0.00 0.00 34.13 33.77 2jkp s GLU 266 CO 0.23 0.08 1.02 -1.13 -0.54 0.00 0.00 175.26 174.91 2jkp n SER 267 N 2.85 1.14 -3.50 -1.70 3.41 -0.21 -0.60 113.62 115.01 2jkp n SER 267 Ca -0.14 1.17 -0.20 0.00 -0.26 0.00 0.00 58.87 59.44 2jkp n SER 267 Cb 0.58 -1.25 -0.13 0.00 -0.26 0.00 0.00 64.21 63.15 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 -0.83 -0.18 0.71 7.33 -0.11 -0.03 -4.65 118.94 121.18 2jkp s TRP 268 Ca 0.63 -0.01 -0.03 0.00 1.22 0.00 0.00 56.10 57.91 2jkp s TRP 268 Cb -0.75 -0.47 0.10 0.00 -1.50 0.00 0.00 33.47 30.85 2jkp s TRP 268 CO 0.58 -0.65 0.99 -0.51 -4.62 0.00 0.00 176.95 172.73 2jkp s LEU 269 N 2.28 2.98 -0.23 5.86 1.43 -1.26 -0.52 118.68 129.23 2jkp s LEU 269 Ca 0.07 -0.09 -0.13 0.00 -1.03 0.00 0.00 54.13 52.95 2jkp s LEU 269 Cb -0.16 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 2jkp s LEU 269 CO -0.17 -1.76 0.29 -0.89 0.23 0.00 0.00 176.35 174.05 2jkp s THR 270 N -3.16 5.27 0.52 5.49 2.01 -0.99 -4.88 115.64 119.90 2jkp s THR 270 Ca 0.64 0.45 -0.18 0.00 0.31 0.00 0.00 61.69 62.91 2jkp s THR 270 Cb -0.07 -3.62 -0.07 0.00 0.01 0.00 0.00 72.50 68.75 2jkp s THR 270 CO 0.44 0.28 1.02 -2.16 -0.69 0.00 0.00 174.62 173.51 2jkp s PRO 271 N 1.28 3.72 0.02 4.92 0.04 -1.26 -4.57 135.00 139.15 2jkp s PRO 271 Ca 0.13 1.17 -0.00 0.00 0.04 0.00 0.00 61.00 62.34 2jkp s PRO 271 Cb -0.14 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2jkp s PRO 271 CO 0.07 -0.47 0.02 -0.40 0.04 0.00 0.00 177.00 176.26 2jkp n ASP 272 N -1.46 0.01 0.29 6.66 5.68 0.50 -4.58 116.55 123.65 2jkp n ASP 272 Ca 0.08 -1.01 0.15 0.00 -0.50 0.00 0.00 54.79 53.51 2jkp n ASP 272 Cb 0.53 -0.02 0.88 0.00 -1.14 0.00 0.00 41.12 41.38 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 -1.69 1.35 -0.35 2.12 0.00 -1.90 -0.76 119.26 118.03 2jkp h ALA 273 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2jkp h ALA 273 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2jkp h ALA 273 CO 0.01 0.05 0.00 1.63 0.00 0.00 0.00 179.25 180.94 2jkp n LYS 274 N -3.64 2.32 -0.27 0.00 5.02 -1.26 -4.96 118.16 115.37 2jkp n LYS 274 Ca -0.02 -2.13 0.00 0.00 -2.02 0.00 0.00 58.31 54.13 2jkp n LYS 274 Cb 0.14 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 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 1.24 0.64 3.91 0.72 0.00 -0.29 -5.08 105.19 106.33 2jkp n GLY 275 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.99 5.83 -0.22 1.61 1.01 -1.26 -4.59 116.67 116.06 2jkp s ASP 276 Ca 0.00 0.80 0.14 0.00 0.71 0.00 0.00 52.55 54.20 2jkp s ASP 276 Cb 0.00 -1.90 0.45 0.00 1.01 0.00 0.00 42.92 42.48 2jkp s ASP 276 CO 0.00 -0.90 1.18 0.29 0.21 0.00 0.00 175.17 175.95 2jkp n LYS 277 N -2.48 2.21 0.00 8.23 5.02 0.97 -0.37 118.16 131.74 2jkp n LYS 277 Ca 0.03 -3.51 0.00 0.00 -2.02 0.00 0.00 58.31 52.81 2jkp n LYS 277 Cb 0.57 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 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 -0.65 4.17 3.56 0.72 0.00 -1.25 -4.60 105.19 107.15 2jkp n GLY 278 Ca 0.25 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 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 3.22 0.18 1.61 1.51 -1.26 -1.11 117.35 121.50 2jkp s TYR 279 Ca 0.00 0.07 0.08 0.00 -1.01 0.00 0.00 57.07 56.21 2jkp s TYR 279 Cb 0.00 -2.55 -0.04 0.00 -0.11 0.00 0.00 41.96 39.26 2jkp s TYR 279 CO 0.00 -0.32 -0.06 -1.64 -1.11 0.00 0.00 175.55 172.42 2jkp s MET 280 N 1.92 2.18 -0.16 -0.62 -1.94 0.82 -5.00 119.30 116.50 2jkp s MET 280 Ca 0.10 -1.23 -0.04 0.00 -1.71 0.00 0.00 55.69 52.82 2jkp s MET 280 Cb -0.16 -2.22 0.07 0.00 2.01 0.00 0.00 34.83 34.53 2jkp s MET 280 CO 0.11 0.44 0.20 -1.14 -0.01 0.00 0.00 175.02 174.61 2jkp s GLN 281 N -2.90 0.13 0.56 2.03 0.74 -1.26 -1.27 119.66 117.68 2jkp s GLN 281 Ca 0.26 0.34 -0.21 0.00 0.05 0.00 0.00 55.36 55.80 2jkp s GLN 281 Cb -0.09 -0.87 -0.04 0.00 1.10 0.00 0.00 33.01 33.11 2jkp s GLN 281 CO 0.16 -0.52 1.28 0.95 -0.55 0.00 0.00 175.29 176.62 2jkp s THR 282 N 2.31 2.39 0.12 -0.34 -4.23 0.31 -3.98 115.64 112.22 2jkp s THR 282 Ca 0.05 0.27 -0.26 0.00 -1.18 0.00 0.00 61.69 60.57 2jkp s THR 282 Cb -0.14 -3.13 -0.07 0.00 1.34 0.00 0.00 72.50 70.50 2jkp s THR 282 CO -0.10 -0.02 0.82 -2.16 -0.54 0.00 0.00 174.62 172.62 2jkp s PRO 283 N -3.05 4.59 0.18 3.99 0.04 -1.26 -4.73 135.00 134.77 2jkp s PRO 283 Ca 0.73 1.21 -0.13 0.00 0.04 0.00 0.00 61.00 62.85 2jkp s PRO 283 Cb -0.35 -3.32 0.01 0.00 0.04 0.00 0.00 34.50 30.88 2jkp s PRO 283 CO 0.40 0.41 0.39 0.00 0.04 0.00 0.00 177.00 178.24 2jkp s ASN 285 N -2.93 1.97 0.75 0.00 0.01 -1.26 -0.31 114.94 113.18 2jkp s ASN 285 Ca 0.14 -0.47 -0.11 0.00 -0.71 0.00 0.00 52.86 51.71 2jkp s ASN 285 Cb 0.01 -0.15 0.04 0.00 0.41 0.00 0.00 41.25 41.57 2jkp s ASN 285 CO -0.01 0.09 1.08 0.42 -1.51 0.00 0.00 177.10 177.17 2jkp s THR 286 N -0.81 3.51 1.00 1.60 -4.23 -0.14 -4.99 115.64 111.57 2jkp s THR 286 Ca 0.04 0.49 -0.12 0.00 -1.18 0.00 0.00 61.69 60.92 2jkp s THR 286 Cb -0.08 -3.04 0.19 0.00 1.34 0.00 0.00 72.50 70.90 2jkp s THR 286 CO 0.01 -0.64 1.08 -2.84 -0.54 0.00 0.00 174.62 171.70 2jkp s PRO 287 N -4.94 0.42 0.58 3.99 0.02 -1.26 -4.61 135.00 129.20 2jkp s PRO 287 Ca 0.60 1.02 -0.18 0.00 0.02 0.00 0.00 61.00 62.47 2jkp s PRO 287 Cb -0.16 -1.70 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 2jkp s PRO 287 CO 0.56 -2.87 1.14 -1.58 -0.33 0.00 0.00 177.00 173.91 2jkp s TRP 288 N -2.69 2.60 -0.09 6.54 0.52 -0.56 -4.63 118.94 120.62 2jkp s TRP 288 Ca 0.66 1.54 0.04 0.00 0.02 0.00 0.00 56.10 58.36 2jkp s TRP 288 Cb -0.22 -3.29 -0.01 0.00 -1.15 0.00 0.00 33.47 28.81 2jkp s TRP 288 CO 0.60 -1.72 -0.22 1.03 0.02 0.00 0.00 176.95 176.66 2jkp s ARG 289 N -3.51 2.93 0.01 4.98 3.00 0.38 -1.23 118.95 125.50 2jkp s ARG 289 Ca 0.72 -0.85 0.07 0.00 0.00 0.00 0.00 55.73 55.67 2jkp s ARG 289 Cb -0.24 -2.32 -0.02 0.00 0.00 0.00 0.00 34.95 32.37 2jkp s ARG 289 CO 0.32 0.27 -0.22 0.95 0.00 0.00 0.00 175.30 176.62 2jkp s THR 290 N 0.13 1.75 -0.24 0.02 -4.23 -0.07 -1.06 115.64 111.94 2jkp s THR 290 Ca -0.11 -1.07 0.02 0.00 -1.18 0.00 0.00 61.69 59.35 2jkp s THR 290 Cb -0.16 -1.48 0.06 0.00 1.34 0.00 0.00 72.50 72.26 2jkp s THR 290 CO 0.06 0.39 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.82 2jkp s ILE 291 N -0.63 1.83 -0.20 2.99 1.01 0.17 -1.72 121.20 124.64 2jkp s ILE 291 Ca 0.09 -1.40 -0.07 0.00 0.00 0.00 0.00 60.65 59.27 2jkp s ILE 291 Cb -0.09 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 2jkp s ILE 291 CO 0.00 -0.05 0.05 -0.63 0.00 0.00 0.00 174.94 174.31 2jkp s ILE 292 N 1.26 4.47 0.01 2.92 1.01 -0.48 -0.41 121.20 129.98 2jkp s ILE 292 Ca -0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 60.65 60.43 2jkp s ILE 292 Cb -0.19 -3.04 -0.01 0.00 0.01 0.00 0.00 42.46 39.23 2jkp s ILE 292 CO -0.06 0.42 0.01 0.54 0.00 0.00 0.00 174.94 175.85 2jkp s VAL 293 N 0.85 0.08 -0.09 2.92 0.11 -0.21 -0.92 120.40 123.15 2jkp s VAL 293 Ca 0.03 -0.67 -0.30 0.00 -2.93 0.00 0.00 61.98 58.11 2jkp s VAL 293 Cb -0.14 -0.24 0.11 0.00 -1.53 0.00 0.00 36.38 34.58 2jkp s VAL 293 CO 0.02 -0.37 0.95 -0.55 -3.33 0.00 0.00 175.10 171.83 2jkp s SER 294 N -1.11 -0.36 0.00 3.54 0.15 -1.01 -4.49 113.70 110.42 2jkp s SER 294 Ca -0.12 0.19 0.29 0.00 0.70 0.00 0.00 55.95 57.01 2jkp s SER 294 Cb -0.07 0.34 1.37 0.00 -1.71 0.00 0.00 66.02 65.94 2jkp s SER 294 CO -0.00 -0.47 1.92 -0.90 1.20 0.00 0.00 173.24 174.99 2jkp n ASP 295 N 0.21 0.95 -4.03 5.45 5.68 -1.26 -0.42 116.55 123.12 2jkp n ASP 295 Ca -0.09 -1.31 -0.30 0.00 -0.50 0.00 0.00 54.79 52.59 2jkp n ASP 295 Cb 0.60 -0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.41 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 -2.00 2.63 0.47 -1.12 -1.08 -1.26 -4.82 116.67 109.49 2jkp s ASP 296 Ca 0.42 -0.47 0.14 0.00 -0.52 0.00 0.00 52.55 52.11 2jkp s ASP 296 Cb 0.21 -1.16 1.08 0.00 -1.46 0.00 0.00 42.92 41.59 2jkp s ASP 296 CO 0.35 -0.04 2.06 0.00 0.52 0.00 0.00 175.17 178.06 2jkp h ALA 297 N 7.91 1.81 -0.35 3.66 0.00 -1.87 -2.06 119.26 128.36 2jkp h ALA 297 Ca -0.36 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 2jkp h ALA 297 Cb 1.14 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2jkp h ALA 297 CO 0.52 0.15 0.12 0.00 0.00 0.00 0.00 179.25 180.03 2jkp h ARG 298 N 0.09 0.49 0.00 0.00 3.08 -1.95 -1.70 114.38 114.40 2jkp h ARG 298 Ca 0.02 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2jkp h ARG 298 Cb 0.14 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2jkp h ARG 298 CO 0.01 0.43 0.00 -0.91 -1.07 0.00 0.00 179.97 178.43 2jkp h ASN 299 N 0.49 0.00 -0.27 7.04 2.35 -1.78 -1.80 115.58 121.62 2jkp h ASN 299 Ca 0.12 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.80 2jkp h ASN 299 Cb 0.14 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2jkp h ASN 299 CO -0.01 0.00 -0.09 0.40 -1.65 0.00 0.00 177.43 176.08 2jkp h ILE 300 N 0.00 1.29 -0.20 2.81 1.08 -1.39 -2.28 117.51 118.82 2jkp h ILE 300 Ca 0.00 -1.14 0.02 0.00 -0.39 0.00 0.00 64.86 63.35 2jkp h ILE 300 Cb 0.51 1.46 -0.01 0.00 -3.07 0.00 0.00 36.82 35.71 2jkp h ILE 300 CO 0.00 0.36 0.13 -0.07 -0.69 0.00 0.00 178.15 177.88 2jkp h LEU 301 N 0.29 0.17 0.00 1.44 3.38 -1.46 -2.96 115.31 116.17 2jkp h LEU 301 Ca 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2jkp h LEU 301 Cb 0.58 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2jkp h LEU 301 CO 0.03 0.12 -0.19 0.00 0.09 0.00 0.00 178.44 178.49 2jkp h ALA 302 N 1.89 0.88 -2.82 1.53 0.00 -1.10 -3.46 119.26 116.18 2jkp h ALA 302 Ca 0.08 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.46 2jkp h ALA 302 Cb 0.08 0.00 0.07 0.00 0.00 0.00 0.00 17.79 17.94 2jkp h ALA 302 CO -0.01 0.00 0.78 0.45 0.00 0.00 0.00 179.25 180.47 2jkp s SER 303 N -4.84 6.54 -0.15 0.00 0.15 -0.88 -4.91 113.70 109.61 2jkp s SER 303 Ca 0.08 2.82 0.17 0.00 0.70 0.00 0.00 55.95 59.72 2jkp s SER 303 Cb 0.11 -2.64 0.32 0.00 -1.71 0.00 0.00 66.02 62.10 2jkp s SER 303 CO 0.65 -0.77 1.17 0.54 1.20 0.00 0.00 173.24 176.03 2jkp n ARG 304 N 1.74 1.35 -0.20 5.44 5.12 -1.26 -4.78 116.66 124.06 2jkp n ARG 304 Ca 0.05 -2.74 0.01 0.00 -1.93 0.00 0.00 57.85 53.24 2jkp n ARG 304 Cb 0.39 -1.52 0.11 0.00 -1.16 0.00 0.00 32.46 30.28 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 0.25 0.61 0.42 0.55 2.04 -1.96 0.15 117.51 119.57 2jkp h ILE 305 Ca -0.00 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 2jkp h ILE 305 Cb 1.00 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 2jkp h ILE 305 CO 0.00 0.04 -0.52 0.74 0.00 0.00 0.00 178.15 178.42 2jkp h THR 306 N 0.24 0.00 -0.60 -0.27 2.02 -1.95 -1.21 112.91 111.14 2jkp h THR 306 Ca 0.32 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.50 2jkp h THR 306 Cb 0.49 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 2jkp h THR 306 CO -0.43 0.00 0.35 -0.07 0.37 0.00 0.00 175.52 175.75 2jkp h LEU 307 N -0.96 0.72 -1.80 2.58 3.38 -1.82 -2.25 115.31 115.15 2jkp h LEU 307 Ca -0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2jkp h LEU 307 Cb 0.86 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2jkp h LEU 307 CO -0.11 0.57 -0.03 0.78 0.09 0.00 0.00 178.44 179.73 2jkp h ASN 308 N 0.83 0.08 -0.02 -0.43 -0.26 -0.27 -1.72 115.58 113.79 2jkp h ASN 308 Ca 0.22 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.95 2jkp h ASN 308 Cb -0.02 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.22 2jkp h ASN 308 CO -0.04 0.12 0.00 0.18 -1.06 0.00 0.00 177.43 176.64 2jkp n LEU 309 N -4.45 1.06 -4.89 1.61 4.77 -0.50 -4.88 117.00 109.73 2jkp n LEU 309 Ca -0.02 -0.37 -0.29 0.00 -0.03 0.00 0.00 56.01 55.30 2jkp n LEU 309 Cb 0.14 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 2jkp n LEU 309 CO 0.35 0.18 0.37 0.20 -1.33 0.00 0.00 177.39 177.16 2jkp s ASN 310 N -1.95 6.48 0.36 -1.43 0.01 -0.65 -4.78 114.94 112.98 2jkp s ASN 310 Ca 0.40 0.99 -0.28 0.00 -0.71 0.00 0.00 52.86 53.25 2jkp s ASN 310 Cb 0.21 -2.26 -0.11 0.00 0.41 0.00 0.00 41.25 39.50 2jkp s ASN 310 CO 0.33 -0.35 1.48 -1.61 -1.51 0.00 0.00 177.10 175.44 2jkp s GLU 311 N -3.83 4.14 0.94 -0.60 0.41 -1.26 -4.93 118.70 113.56 2jkp s GLU 311 Ca 0.49 2.53 -0.10 0.00 -0.41 0.00 0.00 54.97 57.48 2jkp s GLU 311 Cb -0.10 -2.99 0.15 0.00 -1.78 0.00 0.00 34.13 29.41 2jkp s GLU 311 CO 0.32 -0.51 1.09 -2.30 -0.49 0.00 0.00 175.26 173.37 2jkp n PRO 312 N 0.71 -0.56 -1.65 0.39 -0.02 -1.26 -2.95 135.00 129.67 2jkp n PRO 312 Ca 0.02 -0.10 -0.53 0.00 -2.02 0.00 0.00 63.50 60.87 2jkp n PRO 312 Cb 0.39 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.48 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 3.88 2.22 -3.66 0.00 5.02 0.31 -4.80 118.16 121.14 2jkp n LYS 314 Ca 0.21 -2.03 -0.39 0.00 -2.02 0.00 0.00 58.31 54.08 2jkp n LYS 314 Cb 0.19 -1.40 -0.10 0.00 -0.02 0.00 0.00 35.03 33.70 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 -1.24 3.94 0.32 -0.18 1.01 -1.26 -4.98 121.20 118.81 2jkp s ILE 315 Ca 0.30 -1.57 0.02 0.00 0.00 0.00 0.00 60.65 59.40 2jkp s ILE 315 Cb 0.18 -3.47 0.16 0.00 0.01 0.00 0.00 42.46 39.33 2jkp s ILE 315 CO 0.24 -0.54 1.86 0.00 0.00 0.00 0.00 174.94 176.50 2jkp h ALA 316 N 8.31 1.32 -0.52 9.38 0.00 -1.98 -2.69 119.26 133.09 2jkp h ALA 316 Ca -0.21 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 2jkp h ALA 316 Cb 1.07 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2jkp h ALA 316 CO 0.74 0.47 0.06 -0.40 0.00 0.00 0.00 179.25 180.12 2jkp n ASP 317 N -4.28 4.90 -0.21 0.00 5.75 -1.26 -4.74 116.55 116.70 2jkp n ASP 317 Ca 0.02 -3.06 -0.01 0.00 -0.01 0.00 0.00 54.79 51.73 2jkp n ASP 317 Cb 0.23 -0.66 0.10 0.00 -1.03 0.00 0.00 41.12 39.77 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 2.96 0.84 -0.03 2.12 0.00 -1.91 0.77 119.26 124.00 2jkp h ALA 318 Ca 0.07 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2jkp h ALA 318 Cb 1.91 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.66 2jkp h ALA 318 CO 0.47 -0.08 0.11 0.00 0.00 0.00 0.00 179.25 179.76 2jkp h ALA 319 N 1.38 1.27 0.00 0.00 0.00 -1.86 0.28 119.26 120.34 2jkp h ALA 319 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2jkp h ALA 319 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jkp h ALA 319 CO -0.24 -0.13 -0.12 -1.13 0.00 0.00 0.00 179.25 177.63 2jkp n SER 320 N -3.24 0.60 0.00 0.00 3.41 0.26 -4.50 113.62 110.16 2jkp n SER 320 Ca -0.02 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 2jkp n SER 320 Cb 0.19 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 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 -2.03 0.00 -2.50 7.33 4.27 -0.33 -5.01 117.44 119.17 2jkp n TRP 321 Ca 0.06 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.24 2jkp n TRP 321 Cb 0.41 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.34 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 -0.71 4.35 0.07 -1.67 1.01 0.85 -5.01 120.40 119.28 2jkp s VAL 322 Ca 0.00 1.59 0.05 0.00 0.00 0.00 0.00 61.98 63.62 2jkp s VAL 322 Cb 0.00 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 2jkp s VAL 322 CO 0.00 -0.29 -0.14 -0.54 0.00 0.00 0.00 175.10 174.13 2jkp s LYS 323 N 3.65 0.81 0.89 2.72 1.02 -1.26 -4.77 119.74 122.80 2jkp s LYS 323 Ca 0.52 -0.94 -0.10 0.00 0.02 0.00 0.00 55.97 55.46 2jkp s LYS 323 Cb -0.18 -0.81 0.13 0.00 -0.52 0.00 0.00 37.83 36.46 2jkp s LYS 323 CO 0.15 0.18 1.14 -2.14 -0.92 0.00 0.00 175.35 173.77 2jkp s PRO 324 N -1.72 1.21 -0.09 -1.68 0.02 -1.26 -5.03 135.00 126.45 2jkp s PRO 324 Ca -0.02 1.52 -0.02 0.00 0.02 0.00 0.00 61.00 62.49 2jkp s PRO 324 Cb -0.10 -1.75 0.04 0.00 0.02 0.00 0.00 34.50 32.71 2jkp s PRO 324 CO 0.02 -2.49 0.05 0.08 -0.33 0.00 0.00 177.00 174.33 2jkp s VAL 325 N -2.65 0.10 -0.17 3.83 1.01 -0.14 -5.02 120.40 117.35 2jkp s VAL 325 Ca 0.66 0.14 -0.13 0.00 0.00 0.00 0.00 61.98 62.66 2jkp s VAL 325 Cb -0.22 -0.42 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 2jkp s VAL 325 CO 0.57 0.09 0.25 -0.75 0.00 0.00 0.00 175.10 175.26 2jkp s LYS 326 N 2.08 4.24 0.14 2.72 2.20 -1.26 -1.61 119.74 128.24 2jkp s LYS 326 Ca 0.04 0.02 -0.07 0.00 -0.36 0.00 0.00 55.97 55.59 2jkp s LYS 326 Cb -0.13 -3.42 -0.01 0.00 -1.51 0.00 0.00 37.83 32.75 2jkp s LYS 326 CO -0.05 0.25 0.22 1.52 -0.36 0.00 0.00 175.35 176.93 2jkp s TYR 327 N 0.45 0.41 0.35 4.03 -0.85 -0.36 -0.78 117.35 120.60 2jkp s TYR 327 Ca 0.14 -0.80 0.01 0.00 -0.52 0.00 0.00 57.07 55.91 2jkp s TYR 327 Cb -0.12 -0.13 -0.00 0.00 0.38 0.00 0.00 41.96 42.08 2jkp s TYR 327 CO 0.02 -0.64 0.04 0.44 -1.52 0.00 0.00 175.55 173.89 2jkp n ILE 328 N -0.15 0.00 -3.54 -3.49 -5.35 -0.97 -0.50 119.36 105.36 2jkp n ILE 328 Ca -0.09 -1.79 -0.08 0.00 -0.27 0.00 0.00 62.75 60.52 2jkp n ILE 328 Cb 0.63 0.47 -0.03 0.00 -1.74 0.00 0.00 39.64 38.97 2jkp n ILE 328 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2jkp s GLY 329 N -3.01 -0.38 -0.69 3.28 0.00 -1.26 -0.93 107.32 104.32 2jkp s GLY 329 Ca 0.06 1.40 -0.27 0.00 0.00 0.00 0.00 44.72 45.91 2jkp s GLY 329 CO 0.04 0.57 1.57 0.14 0.00 0.00 0.00 173.10 175.43 2jkp s VAL 330 N -2.42 3.55 0.23 1.40 1.01 -0.44 -4.37 120.40 119.35 2jkp s VAL 330 Ca 0.04 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2jkp s VAL 330 Cb -0.01 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.93 2jkp s VAL 330 CO -0.05 -1.39 0.00 1.87 0.00 0.00 0.00 175.10 175.52 2jkp n TRP 331 N 11.07 -3.35 -0.24 5.22 -0.00 -1.26 -2.47 117.44 126.40 2jkp n TRP 331 Ca 0.13 0.76 0.14 0.00 -0.00 0.00 0.00 57.50 58.53 2jkp n TRP 331 Cb 0.50 2.09 0.44 0.00 -0.00 0.00 0.00 31.31 34.34 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 0.68 -0.63 5.87 -0.00 -1.76 -0.84 115.95 119.27 2jkp h TRP 332 Ca 0.00 0.02 0.11 0.00 -0.00 0.00 0.00 58.89 59.02 2jkp h TRP 332 Cb 0.00 -0.21 -0.12 0.00 -0.00 0.00 0.00 29.16 28.83 2jkp h TRP 332 CO 0.00 0.24 -0.36 -0.44 -0.00 0.00 0.00 178.44 177.88 2jkp h ASP 333 N 0.57 -1.26 0.48 2.65 5.19 -1.92 -0.85 116.42 121.27 2jkp h ASP 333 Ca 0.43 0.24 -0.21 0.00 -0.62 0.00 0.00 57.03 56.87 2jkp h ASP 333 Cb 0.84 0.62 -0.00 0.00 0.18 0.00 0.00 39.33 40.96 2jkp h ASP 333 CO -0.18 -0.31 -0.92 0.24 -3.12 0.00 0.00 179.24 174.94 2jkp h MET 334 N -0.16 0.29 -0.83 3.56 2.86 -1.33 -0.10 114.93 119.23 2jkp h MET 334 Ca 0.23 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2jkp h MET 334 Cb 0.56 0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.27 2jkp h MET 334 CO -0.71 1.03 0.48 0.82 1.06 0.00 0.00 176.91 179.59 2jkp h ILE 335 N 0.16 1.23 0.00 -1.22 1.08 -0.83 -2.93 117.51 115.00 2jkp h ILE 335 Ca -0.06 -0.54 -0.22 0.00 -0.39 0.00 0.00 64.86 63.65 2jkp h ILE 335 Cb 1.56 0.09 -0.03 0.00 -3.07 0.00 0.00 36.82 35.36 2jkp h ILE 335 CO 0.15 0.25 -1.22 0.71 -0.69 0.00 0.00 178.15 177.36 2jkp h THR 336 N 1.14 1.18 0.00 -0.27 1.35 -1.15 -3.48 112.91 111.69 2jkp h THR 336 Ca 0.30 -2.87 0.00 0.00 -0.55 0.00 0.00 66.41 63.28 2jkp h THR 336 Cb -0.02 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 2jkp h THR 336 CO -0.05 0.67 0.00 0.61 -0.25 0.00 0.00 175.52 176.50 2jkp n GLY 337 N 1.41 1.11 0.18 5.82 0.00 -0.69 -4.75 105.19 108.28 2jkp n GLY 337 Ca -0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 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 1.95 0.36 -5.11 1.61 3.64 -1.28 -3.46 116.57 114.27 2jkp h LYS 338 Ca 0.00 -0.25 -0.56 0.00 -1.27 0.00 0.00 60.65 58.57 2jkp h LYS 338 Cb 0.00 0.04 -0.13 0.00 -0.41 0.00 0.00 32.23 31.72 2jkp h LYS 338 CO 0.00 0.86 -0.54 0.20 -2.27 0.00 0.00 179.45 177.70 2jkp s GLY 339 N -4.27 2.55 0.15 5.01 0.00 -0.65 -4.98 107.32 105.14 2jkp s GLY 339 Ca -0.05 -1.31 0.11 0.00 0.00 0.00 0.00 44.72 43.46 2jkp s GLY 339 CO 0.82 -1.88 -0.25 -0.45 0.00 0.00 0.00 173.10 171.33 2jkp s SER 340 N -3.62 3.31 0.17 1.64 0.15 0.19 -3.99 113.70 111.55 2jkp s SER 340 Ca 0.24 -0.80 0.09 0.00 0.70 0.00 0.00 55.95 56.18 2jkp s SER 340 Cb 0.04 -0.23 -0.03 0.00 -1.71 0.00 0.00 66.02 64.09 2jkp s SER 340 CO 0.13 0.14 1.38 -0.50 1.20 0.00 0.00 173.24 175.60 2jkp h TRP 341 N 3.61 0.00 -4.06 3.44 6.55 -1.90 -3.22 115.95 120.37 2jkp h TRP 341 Ca -0.49 0.00 -0.49 0.00 0.95 0.00 0.00 58.89 58.86 2jkp h TRP 341 Cb 1.19 0.00 0.05 0.00 -0.86 0.00 0.00 29.16 29.54 2jkp h TRP 341 CO 0.64 0.86 0.42 0.00 -1.05 0.00 0.00 178.44 179.31 2jkp s ALA 342 N -2.97 2.84 0.01 1.49 0.00 -1.26 -4.56 121.76 117.31 2jkp s ALA 342 Ca 0.01 0.76 -0.01 0.00 0.00 0.00 0.00 51.96 52.71 2jkp s ALA 342 Cb 0.11 -3.32 -0.27 0.00 0.00 0.00 0.00 23.12 19.64 2jkp s ALA 342 CO 0.80 -0.54 0.88 -0.92 0.00 0.00 0.00 175.76 175.97 2jkp h TYR 343 N 1.58 0.38 -4.08 0.00 3.20 -1.89 -3.41 116.97 112.75 2jkp h TYR 343 Ca -0.50 -0.28 -0.16 0.00 3.14 0.00 0.00 58.73 60.93 2jkp h TYR 343 Cb 1.24 -0.02 -0.18 0.00 1.54 0.00 0.00 36.73 39.32 2jkp h TYR 343 CO 0.54 1.33 -0.69 -0.08 -1.64 0.00 0.00 178.16 177.61 2jkp s THR 344 N -2.62 0.26 -1.15 1.81 -1.32 -1.26 -2.09 115.64 109.26 2jkp s THR 344 Ca -0.08 -1.43 0.11 0.00 -1.21 0.00 0.00 61.69 59.07 2jkp s THR 344 Cb 0.07 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.10 2jkp s THR 344 CO 0.85 -0.75 0.74 0.47 -2.21 0.00 0.00 174.62 173.71 2jkp n ASP 345 N 0.75 1.54 0.02 8.08 8.00 -1.26 -4.72 116.55 128.96 2jkp n ASP 345 Ca -0.18 -1.27 0.13 0.00 0.71 0.00 0.00 54.79 54.18 2jkp n ASP 345 Cb 0.58 0.26 0.52 0.00 -0.02 0.00 0.00 41.12 42.46 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 0.14 0.06 -4.05 -1.24 0.28 -1.26 -4.84 120.64 109.73 2jkp n GLU 346 Ca 0.05 0.04 -0.36 0.00 -0.16 0.00 0.00 57.16 56.74 2jkp n GLU 346 Cb 0.25 -1.56 -0.08 0.00 1.43 0.00 0.00 31.44 31.47 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 -3.33 4.03 0.42 -1.84 1.43 -1.26 -4.98 118.68 113.15 2jkp s LEU 347 Ca 0.13 0.29 0.27 0.00 -1.03 0.00 0.00 54.13 53.79 2jkp s LEU 347 Cb 0.17 -1.97 0.82 0.00 0.03 0.00 0.00 46.19 45.25 2jkp s LEU 347 CO 0.57 0.35 1.77 0.71 0.23 0.00 0.00 176.35 179.98 2jkp h THR 348 N 4.22 0.00 -2.22 5.49 1.35 -2.00 -3.46 112.91 116.29 2jkp h THR 348 Ca -0.50 -0.67 0.15 0.00 -0.55 0.00 0.00 66.41 64.84 2jkp h THR 348 Cb 1.20 1.64 -0.12 0.00 -1.73 0.00 0.00 68.15 69.14 2jkp h THR 348 CO 0.60 0.00 0.52 -0.94 -0.25 0.00 0.00 175.52 175.45 2jkp s SER 349 N -5.57 -0.26 0.19 5.36 1.04 -1.26 -5.04 113.70 108.16 2jkp s SER 349 Ca 0.05 -0.17 0.08 0.00 0.48 0.00 0.00 55.95 56.39 2jkp s SER 349 Cb 0.08 0.40 -0.05 0.00 0.10 0.00 0.00 66.02 66.56 2jkp s SER 349 CO 0.59 -0.70 -0.15 0.68 0.98 0.00 0.00 173.24 174.64 2jkp s VAL 350 N -3.12 1.70 -0.21 5.02 -7.23 -1.26 -5.08 120.40 110.23 2jkp s VAL 350 Ca 0.09 -2.15 -0.02 0.00 -1.81 0.00 0.00 61.98 58.08 2jkp s VAL 350 Cb -0.01 -1.98 0.06 0.00 0.56 0.00 0.00 36.38 35.01 2jkp s VAL 350 CO -0.04 -0.56 0.04 -0.54 -0.31 0.00 0.00 175.10 173.68 2jkp s LYS 351 N -3.50 0.71 0.32 4.82 1.02 -1.26 -5.02 119.74 116.84 2jkp s LYS 351 Ca 0.21 -0.51 -0.29 0.00 0.02 0.00 0.00 55.97 55.40 2jkp s LYS 351 Cb -0.01 -2.12 -0.12 0.00 -0.52 0.00 0.00 37.83 35.06 2jkp s LYS 351 CO 0.06 -0.67 1.47 1.28 -0.92 0.00 0.00 175.35 176.58 2jkp n LEU 352 N 5.02 4.16 0.00 3.17 4.77 -1.26 -0.64 117.00 132.21 2jkp n LEU 352 Ca -0.09 1.19 0.00 0.00 -0.03 0.00 0.00 56.01 57.08 2jkp n LEU 352 Cb 0.46 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.00 2jkp n LEU 352 CO 0.13 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 2jkp n GLY 353 N 1.33 2.31 1.02 -0.72 0.00 -1.26 -4.78 105.19 103.08 2jkp n GLY 353 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.01 -1.67 1.61 1.02 -0.11 -4.99 120.64 114.51 2jkp n GLU 354 Ca 0.00 0.00 -0.52 0.00 -0.02 0.00 0.00 57.16 56.63 2jkp n GLU 354 Cb 0.00 -0.51 -0.06 0.00 -0.02 0.00 0.00 31.44 30.85 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 -3.37 0.27 -3.37 2.62 -1.04 0.19 -4.93 114.28 104.65 2jkp n THR 355 Ca -0.00 -0.05 -0.45 0.00 -2.04 0.00 0.00 64.05 61.50 2jkp n THR 355 Cb 0.15 -1.40 -0.02 0.00 -1.82 0.00 0.00 70.33 67.24 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 2.61 6.75 0.53 8.00 -1.08 -1.26 -4.92 116.67 127.29 2jkp s ASP 356 Ca 0.90 -2.94 0.21 0.00 -0.52 0.00 0.00 52.55 50.21 2jkp s ASP 356 Cb -0.86 -2.17 1.35 0.00 -1.46 0.00 0.00 42.92 39.78 2jkp s ASP 356 CO 0.53 -0.48 2.07 1.88 0.52 0.00 0.00 175.17 179.69 2jkp h TYR 357 N 7.42 0.00 0.00 -5.34 -1.99 -1.96 0.38 116.97 115.48 2jkp h TYR 357 Ca 0.12 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.85 2jkp h TYR 357 Cb 0.99 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.72 2jkp h TYR 357 CO 0.94 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.97 2jkp n SER 358 N -4.42 0.00 -0.75 3.88 3.41 -1.26 -0.24 113.62 114.23 2jkp n SER 358 Ca 0.04 0.36 0.07 0.00 -0.26 0.00 0.00 58.87 59.08 2jkp n SER 358 Cb 0.36 -0.39 0.15 0.00 -0.26 0.00 0.00 64.21 64.07 2jkp n SER 358 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2jkp n LYS 359 N -1.39 2.16 -3.98 4.33 4.76 0.13 -4.99 118.16 119.19 2jkp n LYS 359 Ca 0.02 -1.91 -0.21 0.00 -2.87 0.00 0.00 58.31 53.33 2jkp n LYS 359 Cb 0.04 -1.33 -0.02 0.00 -1.84 0.00 0.00 35.03 31.88 2jkp n LYS 359 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2jkp s THR 360 N -1.09 5.08 -0.23 -0.18 -4.23 0.66 -5.07 115.64 110.58 2jkp s THR 360 Ca 0.26 -1.06 -0.18 0.00 -1.18 0.00 0.00 61.69 59.53 2jkp s THR 360 Cb 0.15 -3.77 -0.03 0.00 1.34 0.00 0.00 72.50 70.19 2jkp s THR 360 CO 0.20 -0.33 0.50 -0.75 -0.54 0.00 0.00 174.62 173.70 2jkp s LYS 361 N -3.96 4.12 0.37 3.99 2.20 -1.26 -5.03 119.74 120.17 2jkp s LYS 361 Ca 0.34 0.33 -0.26 0.00 -0.36 0.00 0.00 55.97 56.02 2jkp s LYS 361 Cb -0.09 -3.60 -0.12 0.00 -1.51 0.00 0.00 37.83 32.51 2jkp s LYS 361 CO 0.28 -0.23 1.11 -2.30 -0.36 0.00 0.00 175.35 173.85 2jkp n PRO 362 N 5.12 1.61 -0.01 4.03 -0.02 -1.26 -4.24 135.00 140.23 2jkp n PRO 362 Ca -0.05 0.57 0.14 0.00 -2.02 0.00 0.00 63.50 62.14 2jkp n PRO 362 Cb 0.50 -2.10 0.70 0.00 -0.02 0.00 0.00 33.50 32.58 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 0.71 0.67 0.00 2.55 0.23 -0.89 -4.88 115.26 113.65 2jkp n ASN 363 Ca 0.08 -1.29 0.00 0.00 -0.53 0.00 0.00 54.58 52.84 2jkp n ASN 363 Cb 0.37 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 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 1.05 1.78 0.21 4.83 0.00 -1.26 -4.81 105.19 106.99 2jkp n GLY 364 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.25 2jkp n GLY 364 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jkp n LYS 365 N -2.00 1.35 -2.90 1.61 5.02 -1.26 -5.02 118.16 114.97 2jkp n LYS 365 Ca 0.00 -1.25 -0.43 0.00 -2.02 0.00 0.00 58.31 54.61 2jkp n LYS 365 Cb 0.00 -1.09 -0.04 0.00 -0.02 0.00 0.00 35.03 33.88 2jkp n LYS 365 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2jkp s HIS 366 N -0.69 2.76 0.34 2.13 2.46 -1.26 -0.64 115.29 120.39 2jkp s HIS 366 Ca 0.07 -0.41 0.14 0.00 0.47 0.00 0.00 55.06 55.34 2jkp s HIS 366 Cb 0.04 -4.13 0.73 0.00 -0.13 0.00 0.00 32.58 29.10 2jkp s HIS 366 CO 0.06 -1.48 1.81 0.77 -2.47 0.00 0.00 174.74 173.43 2jkp h SER 367 N 9.41 0.00 -0.01 9.88 0.02 -1.88 -3.31 113.55 127.66 2jkp h SER 367 Ca -0.28 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.08 2jkp h SER 367 Cb 1.07 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.63 2jkp h SER 367 CO 1.13 0.38 3.16 0.00 -1.14 0.00 0.00 176.83 180.35 2jkp n ALA 368 N -2.43 7.38 -2.48 3.77 0.00 -1.26 -4.54 120.51 120.95 2jkp n ALA 368 Ca -0.02 -3.26 -0.30 0.00 0.00 0.00 0.00 53.44 49.87 2jkp n ALA 368 Cb 0.43 -3.20 -0.12 0.00 0.00 0.00 0.00 19.45 16.56 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 2.13 3.88 0.19 0.00 4.22 -1.25 -4.36 114.94 119.75 2jkp s ASN 369 Ca 0.69 -0.53 -0.13 0.00 -2.14 0.00 0.00 52.86 50.75 2jkp s ASN 369 Cb 0.20 -0.56 0.21 0.00 1.28 0.00 0.00 41.25 42.38 2jkp s ASN 369 CO -0.05 0.19 1.67 0.74 -2.04 0.00 0.00 177.10 177.61 2jkp h THR 370 N 3.62 0.55 -0.85 0.54 2.02 -1.28 -0.66 112.91 116.86 2jkp h THR 370 Ca -0.49 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 2jkp h THR 370 Cb 1.17 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 2jkp h THR 370 CO 0.46 0.02 0.40 0.00 0.37 0.00 0.00 175.52 176.77 2jkp h ALA 371 N 1.49 1.09 -0.28 6.16 0.00 -1.96 0.79 119.26 126.56 2jkp h ALA 371 Ca 0.27 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2jkp h ALA 371 Cb 0.42 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2jkp h ALA 371 CO -0.47 0.67 -0.19 -0.97 0.00 0.00 0.00 179.25 178.28 2jkp h ASN 372 N 1.21 0.65 -0.28 0.00 -1.24 -1.62 -2.30 115.58 112.01 2jkp h ASN 372 Ca 0.29 -0.44 0.01 0.00 0.71 0.00 0.00 56.30 56.87 2jkp h ASN 372 Cb 0.13 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 38.98 2jkp h ASN 372 CO -0.03 0.95 0.16 0.58 -1.29 0.00 0.00 177.43 177.80 2jkp h VAL 373 N 0.36 1.04 -0.91 2.57 2.07 -0.78 -1.83 116.25 118.75 2jkp h VAL 373 Ca 0.05 -0.12 0.16 0.00 0.82 0.00 0.00 66.70 67.61 2jkp h VAL 373 Cb 0.73 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 2jkp h VAL 373 CO 0.05 0.06 0.58 0.11 0.02 0.00 0.00 177.57 178.40 2jkp h LYS 374 N 0.34 0.66 -0.33 1.57 1.57 -0.81 0.16 116.57 119.74 2jkp h LYS 374 Ca 0.11 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 2jkp h LYS 374 Cb -0.01 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 2jkp h LYS 374 CO -0.05 0.43 -0.14 0.00 -0.57 0.00 0.00 179.45 179.12 2jkp h ARG 375 N 0.68 0.58 -0.19 3.15 3.08 -0.75 0.13 114.38 121.06 2jkp h ARG 375 Ca 0.47 -0.18 -0.14 0.00 0.07 0.00 0.00 59.98 60.20 2jkp h ARG 375 Cb 0.79 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 2jkp h ARG 375 CO -0.22 0.70 -0.47 1.88 -1.07 0.00 0.00 179.97 180.79 2jkp h TYR 376 N 0.53 0.58 -0.58 3.04 -1.99 -0.73 -1.72 116.97 116.09 2jkp h TYR 376 Ca 0.09 -0.18 -0.02 0.00 2.00 0.00 0.00 58.73 60.62 2jkp h TYR 376 Cb 0.56 -0.12 -0.03 0.00 2.00 0.00 0.00 36.73 39.14 2jkp h TYR 376 CO 0.02 0.86 0.27 0.82 -0.00 0.00 0.00 178.16 180.13 2jkp h ILE 377 N 0.38 1.21 -0.25 -2.88 2.04 -0.20 -0.86 117.51 116.96 2jkp h ILE 377 Ca 0.02 -0.61 0.06 0.00 1.00 0.00 0.00 64.86 65.34 2jkp h ILE 377 Cb 0.97 0.54 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 2jkp h ILE 377 CO 0.09 0.24 -0.20 0.44 0.00 0.00 0.00 178.15 178.72 2jkp h ASP 378 N 0.79 -0.66 -0.60 1.72 3.32 -0.34 -1.51 116.42 119.14 2jkp h ASP 378 Ca 0.20 0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.30 2jkp h ASP 378 Cb 0.13 0.32 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 2jkp h ASP 378 CO -0.02 -0.24 0.09 0.15 -1.72 0.00 0.00 179.24 177.50 2jkp h PHE 379 N -0.20 1.05 -0.50 4.55 3.57 -1.11 -1.17 116.94 123.14 2jkp h PHE 379 Ca 0.14 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2jkp h PHE 379 Cb 0.41 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 2jkp h PHE 379 CO -0.37 0.91 0.31 0.00 -2.23 0.00 0.00 178.31 176.94 2jkp h ALA 380 N 1.01 0.64 -0.37 2.41 0.00 -0.91 -2.44 119.26 119.60 2jkp h ALA 380 Ca 0.18 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 2jkp h ALA 380 Cb 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2jkp h ALA 380 CO 0.01 0.03 -0.33 0.00 0.00 0.00 0.00 179.25 178.97 2jkp h ALA 381 N 1.20 0.73 -0.11 0.00 0.00 -1.06 -0.26 119.26 119.76 2jkp h ALA 381 Ca 0.19 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2jkp h ALA 381 Cb -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2jkp h ALA 381 CO -0.07 0.66 0.06 0.00 0.00 0.00 0.00 179.25 179.91 2jkp h ALA 382 N 0.94 1.91 -0.13 0.00 0.00 -0.95 -3.13 119.26 117.89 2jkp h ALA 382 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jkp h ALA 382 Cb 0.88 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2jkp h ALA 382 CO 0.08 0.08 0.00 0.72 0.00 0.00 0.00 179.25 180.13 2jkp n HIS 383 N -4.51 0.38 -0.97 0.00 8.25 -0.94 -4.98 115.22 112.45 2jkp n HIS 383 Ca -0.01 -0.83 0.00 0.00 -0.26 0.00 0.00 57.72 56.62 2jkp n HIS 383 Cb 0.09 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.02 2jkp n HIS 383 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jkp n GLY 384 N -0.76 0.40 3.83 -1.41 0.00 -0.96 -4.85 105.19 101.45 2jkp n GLY 384 Ca 0.15 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.00 3.30 -0.02 1.61 0.08 -0.15 -5.00 117.98 115.80 2jkp s PHE 385 Ca 0.00 1.44 -0.06 0.00 0.12 0.00 0.00 56.93 58.43 2jkp s PHE 385 Cb 0.00 -2.85 -0.29 0.00 -0.57 0.00 0.00 43.02 39.31 2jkp s PHE 385 CO 0.00 -0.77 0.76 -0.44 -0.10 0.00 0.00 175.22 174.67 2jkp h ASP 386 N 0.30 0.46 -5.19 1.36 3.32 -1.26 -3.43 116.42 111.98 2jkp h ASP 386 Ca -0.46 -0.69 -0.09 0.00 0.02 0.00 0.00 57.03 55.82 2jkp h ASP 386 Cb 1.20 -0.15 -0.13 0.00 0.22 0.00 0.00 39.33 40.46 2jkp h ASP 386 CO 0.60 1.58 -0.34 0.00 -1.72 0.00 0.00 179.24 179.35 2jkp s ALA 387 N -2.60 -0.18 -0.10 3.45 0.00 -1.09 -1.87 121.76 119.36 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 0.06 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.82 2jkp s ALA 387 CO 0.85 -0.56 -0.14 0.08 0.00 0.00 0.00 175.76 175.99 2jkp s VAL 388 N -3.89 1.38 0.08 0.00 1.01 -0.77 -2.30 120.40 115.91 2jkp s VAL 388 Ca 0.09 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.29 2jkp s VAL 388 Cb 0.04 -1.28 -0.07 0.00 0.00 0.00 0.00 36.38 35.08 2jkp s VAL 388 CO -0.08 0.42 0.62 -0.22 0.00 0.00 0.00 175.10 175.84 2jkp s LEU 389 N 1.05 4.53 -0.11 3.92 2.96 -0.11 -0.88 118.68 130.04 2jkp s LEU 389 Ca -0.06 1.33 0.01 0.00 -0.22 0.00 0.00 54.13 55.20 2jkp s LEU 389 Cb -0.15 -2.99 0.02 0.00 0.50 0.00 0.00 46.19 43.57 2jkp s LEU 389 CO -0.02 0.23 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.42 2jkp s VAL 390 N -0.98 1.37 0.02 1.68 1.01 -1.24 -1.33 120.40 120.93 2jkp s VAL 390 Ca 0.31 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.74 2jkp s VAL 390 Cb -0.20 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 2jkp s VAL 390 CO 0.20 0.42 0.04 -1.61 0.00 0.00 0.00 175.10 174.16 2jkp s GLU 391 N 1.10 2.89 0.00 2.72 2.02 -1.03 -4.38 118.70 122.01 2jkp s GLU 391 Ca -0.05 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.35 2jkp s GLU 391 Cb -0.14 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.34 2jkp s GLU 391 CO -0.03 0.62 0.00 0.41 0.02 0.00 0.00 175.26 176.28 2jkp n GLY 392 N 1.10 0.66 0.21 -1.39 0.00 -1.26 -4.43 105.19 100.08 2jkp n GLY 392 Ca -0.13 -0.60 0.12 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.19 1.61 5.08 -1.84 -3.44 115.95 114.17 2jkp h TRP 393 Ca 0.00 0.00 -0.64 0.00 1.08 0.00 0.00 58.89 59.33 2jkp h TRP 393 Cb 0.00 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 26.03 2jkp h TRP 393 CO 0.00 0.00 -0.70 0.54 -1.28 0.00 0.00 178.44 177.00 2jkp s ASN 394 N -6.10 4.55 0.22 0.11 4.22 -1.26 -1.59 114.94 115.09 2jkp s ASN 394 Ca 0.07 -0.41 -0.32 0.00 -2.14 0.00 0.00 52.86 50.06 2jkp s ASN 394 Cb 0.06 -0.91 -0.14 0.00 1.28 0.00 0.00 41.25 41.54 2jkp s ASN 394 CO 0.67 0.13 1.33 -0.62 -2.04 0.00 0.00 177.10 176.58 2jkp n GLU 395 N 0.27 1.77 0.00 3.55 1.02 0.22 -4.13 120.64 123.35 2jkp n GLU 395 Ca -0.11 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 2jkp n GLU 395 Cb 0.54 -2.24 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 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 2.12 0.73 0.23 0.62 0.00 -1.26 -4.54 105.19 103.08 2jkp n GLY 396 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.95 1.61 4.06 -1.86 -2.46 115.95 116.34 2jkp h TRP 397 Ca 0.00 0.00 0.28 0.00 2.06 0.00 0.00 58.89 61.23 2jkp h TRP 397 Cb 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.12 2jkp h TRP 397 CO 0.00 0.19 0.74 0.93 -3.56 0.00 0.00 178.44 176.75 2jkp h GLU 398 N 0.00 0.00 -0.14 0.49 3.07 -1.89 -2.24 114.58 113.87 2jkp h GLU 398 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2jkp h GLU 398 Cb 0.72 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 2jkp h GLU 398 CO 0.03 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.39 2jkp n ASP 399 N -4.06 2.89 0.31 1.42 9.92 -0.93 -4.81 116.55 121.29 2jkp n ASP 399 Ca 0.20 -2.73 0.19 0.00 -0.53 0.00 0.00 54.79 51.92 2jkp n ASP 399 Cb 1.07 -0.37 0.99 0.00 -0.64 0.00 0.00 41.12 42.17 2jkp n ASP 399 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 2jkp h TRP 400 N 0.89 0.00 -3.29 1.24 5.08 -1.50 -3.43 115.95 114.95 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 1.03 0.00 -0.30 0.00 -3.00 0.00 0.00 29.16 26.89 2jkp h TRP 400 CO 0.20 0.02 -0.79 0.12 -1.28 0.00 0.00 178.44 176.71 2jkp s PHE 401 N -4.13 2.81 -0.07 0.12 5.36 -1.26 -4.75 117.98 116.06 2jkp s PHE 401 Ca -0.03 -1.00 0.00 0.00 -0.96 0.00 0.00 56.93 54.94 2jkp s PHE 401 Cb 0.12 -1.92 0.00 0.00 -0.34 0.00 0.00 43.02 40.89 2jkp s PHE 401 CO 0.49 -0.46 0.00 0.41 -1.46 0.00 0.00 175.22 174.19 2jkp n GLY 402 N 4.12 0.39 0.22 13.12 0.00 -1.26 -4.88 105.19 116.89 2jkp n GLY 402 Ca -0.19 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.21 1.33 -3.88 1.61 5.03 -1.26 -4.97 115.26 112.91 2jkp n ASN 403 Ca -0.01 -1.17 -0.26 0.00 0.87 0.00 0.00 54.58 54.02 2jkp n ASN 403 Cb 0.17 0.73 0.01 0.00 -1.02 0.00 0.00 39.78 39.66 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 -0.72 -1.99 -4.70 6.41 2.88 -1.26 -4.93 113.62 109.30 2jkp n SER 404 Ca 0.06 -0.89 -0.39 0.00 -1.33 0.00 0.00 58.87 56.32 2jkp n SER 404 Cb 0.34 -3.57 -0.06 0.00 -0.75 0.00 0.00 64.21 60.16 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 -6.41 4.33 -0.05 -1.46 2.20 -1.26 -5.00 119.74 112.09 2jkp s LYS 405 Ca 0.24 0.59 -0.10 0.00 -0.36 0.00 0.00 55.97 56.34 2jkp s LYS 405 Cb -0.12 -3.48 -0.06 0.00 -1.51 0.00 0.00 37.83 32.66 2jkp s LYS 405 CO 0.85 0.03 0.43 0.22 -0.36 0.00 0.00 175.35 176.53 2jkp h ASP 406 N 6.93 -0.32 -1.87 1.43 3.58 -1.97 -3.38 116.42 120.83 2jkp h ASP 406 Ca -0.39 0.01 -0.77 0.00 0.42 0.00 0.00 57.03 56.30 2jkp h ASP 406 Cb 1.17 0.08 -0.19 0.00 1.72 0.00 0.00 39.33 42.11 2jkp h ASP 406 CO 0.76 0.13 1.63 0.00 -2.88 0.00 0.00 179.24 178.88 2jkp n TYR 407 N -4.96 2.72 -0.01 0.28 9.36 -1.26 -4.66 117.16 118.62 2jkp n TYR 407 Ca -0.05 -2.72 -0.16 0.00 3.32 0.00 0.00 57.90 58.30 2jkp n TYR 407 Cb 0.15 -1.73 -0.14 0.00 -0.63 0.00 0.00 39.34 36.99 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 2.69 1.70 -3.99 2.97 3.14 -1.26 -4.67 118.33 118.91 2jkp n VAL 408 Ca 0.35 -0.72 -0.09 0.00 -2.96 0.00 0.00 64.34 60.93 2jkp n VAL 408 Cb 0.35 -1.42 -0.08 0.00 -1.06 0.00 0.00 33.84 31.63 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 -2.57 0.43 -0.47 1.45 0.08 -1.26 -4.65 117.98 110.98 2jkp s PHE 409 Ca -0.15 -0.87 0.04 0.00 0.12 0.00 0.00 56.93 56.08 2jkp s PHE 409 Cb 0.07 -0.23 0.02 0.00 -0.57 0.00 0.00 43.02 42.32 2jkp s PHE 409 CO 0.79 -0.53 0.54 -0.40 -0.10 0.00 0.00 175.22 175.53 2jkp n ASP 410 N -0.05 1.13 0.00 1.36 5.68 -1.26 -4.95 116.55 118.46 2jkp n ASP 410 Ca -0.12 -1.06 0.00 0.00 -0.50 0.00 0.00 54.79 53.11 2jkp n ASP 410 Cb 0.62 0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.80 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 -0.02 0.00 0.00 2.11 3.72 -1.26 -4.60 117.46 117.41 2jkp n PHE 411 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2jkp n PHE 411 Cb 0.10 -1.42 0.00 0.00 -0.94 0.00 0.00 39.48 37.22 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 -2.10 0.00 -3.34 -4.37 0.24 -1.26 -4.78 118.33 102.72 2jkp n VAL 412 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 2jkp n VAL 412 Cb 0.21 -0.02 -0.09 0.00 -1.47 0.00 0.00 33.84 32.47 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 -0.84 5.11 0.50 3.34 2.01 -1.26 -5.03 115.64 119.46 2jkp s THR 413 Ca 0.00 -0.29 -0.20 0.00 0.31 0.00 0.00 61.69 61.50 2jkp s THR 413 Cb 0.00 -4.00 -0.08 0.00 0.01 0.00 0.00 72.50 68.44 2jkp s THR 413 CO 0.00 -0.36 1.06 -2.16 -0.69 0.00 0.00 174.62 172.48 2jkp s PRO 414 N 2.09 3.69 0.93 4.92 0.04 -1.26 0.73 135.00 146.13 2jkp s PRO 414 Ca 0.12 1.44 -0.11 0.00 0.04 0.00 0.00 61.00 62.49 2jkp s PRO 414 Cb -0.17 -2.09 0.15 0.00 0.04 0.00 0.00 34.50 32.43 2jkp s PRO 414 CO 0.13 -0.53 1.11 0.71 0.04 0.00 0.00 177.00 178.46 2jkp s TYR 415 N -1.91 1.81 0.52 0.56 2.02 -0.62 -4.59 117.35 115.15 2jkp s TYR 415 Ca 0.68 1.61 0.19 0.00 -0.37 0.00 0.00 57.07 59.18 2jkp s TYR 415 Cb -0.19 -3.24 1.36 0.00 -0.40 0.00 0.00 41.96 39.49 2jkp s TYR 415 CO 0.22 -2.76 2.15 -1.35 -1.57 0.00 0.00 175.55 172.25 2jkp h PRO 416 N -1.83 0.00 -0.57 -1.71 0.11 -1.92 -2.53 132.00 123.56 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 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2jkp h PRO 416 CO 0.46 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 177.87 2jkp n ASP 417 N -4.36 3.08 -4.09 -2.05 5.75 -1.26 -4.73 116.55 108.90 2jkp n ASP 417 Ca -0.03 -2.02 -0.33 0.00 -0.01 0.00 0.00 54.79 52.39 2jkp n ASP 417 Cb 0.11 -0.39 -0.14 0.00 -1.03 0.00 0.00 41.12 39.67 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 -1.28 3.54 -0.79 2.11 5.36 -0.95 -0.75 117.98 125.21 2jkp s PHE 418 Ca 0.38 -2.51 -0.19 0.00 -0.96 0.00 0.00 56.93 53.65 2jkp s PHE 418 Cb 0.20 -2.69 0.13 0.00 -0.34 0.00 0.00 43.02 40.32 2jkp s PHE 418 CO 0.25 -0.92 0.95 0.34 -1.46 0.00 0.00 175.22 174.39 2jkp s ASP 419 N 1.25 6.47 0.13 6.13 -1.08 -1.26 -4.61 116.67 123.70 2jkp s ASP 419 Ca 0.04 -1.81 -0.19 0.00 -0.52 0.00 0.00 52.55 50.07 2jkp s ASP 419 Cb -0.20 -2.35 -0.01 0.00 -1.46 0.00 0.00 42.92 38.89 2jkp s ASP 419 CO -0.05 -1.08 1.72 0.58 0.52 0.00 0.00 175.17 176.87 2jkp h VAL 420 N 5.74 0.85 -0.24 1.11 2.07 -1.97 0.08 116.25 123.89 2jkp h VAL 420 Ca -0.03 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 2jkp h VAL 420 Cb 1.05 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2jkp h VAL 420 CO 1.07 0.02 -0.13 0.11 0.02 0.00 0.00 177.57 178.66 2jkp h LYS 421 N 0.09 0.51 -0.29 1.57 1.57 -1.97 -1.75 116.57 116.29 2jkp h LYS 421 Ca 0.11 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2jkp h LYS 421 Cb 0.13 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2jkp h LYS 421 CO -0.17 0.78 0.16 1.49 -0.57 0.00 0.00 179.45 181.15 2jkp h GLU 422 N 0.22 0.41 -0.90 3.15 4.57 -1.92 -0.25 114.58 119.86 2jkp h GLU 422 Ca 0.05 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.24 2jkp h GLU 422 Cb 0.64 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.09 2jkp h GLU 422 CO 0.04 0.35 0.57 0.82 -1.18 0.00 0.00 179.01 179.60 2jkp h ILE 423 N 0.36 1.09 -0.56 2.32 2.04 -0.98 0.12 117.51 121.90 2jkp h ILE 423 Ca 0.10 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 2jkp h ILE 423 Cb 0.05 -0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.04 2jkp h ILE 423 CO -0.02 0.19 0.29 -0.74 0.00 0.00 0.00 178.15 177.88 2jkp h HIS 424 N 1.07 0.78 -0.35 1.37 2.76 -0.98 -0.21 115.15 119.58 2jkp h HIS 424 Ca 0.38 -0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.49 2jkp h HIS 424 Cb 0.11 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 2jkp h HIS 424 CO -0.02 0.58 0.11 0.00 -1.30 0.00 0.00 177.93 177.30 2jkp h ARG 425 N 0.75 0.54 -0.17 5.26 3.08 -0.13 -1.35 114.38 122.36 2jkp h ARG 425 Ca 0.19 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 2jkp h ARG 425 Cb 0.08 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2jkp h ARG 425 CO -0.03 0.57 0.06 -0.92 -1.07 0.00 0.00 179.97 178.58 2jkp h TYR 426 N 0.41 0.27 -0.11 3.04 3.20 -0.59 -2.03 116.97 121.15 2jkp h TYR 426 Ca 0.11 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2jkp h TYR 426 Cb 0.25 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 2jkp h TYR 426 CO 0.01 0.34 0.08 0.00 -1.64 0.00 0.00 178.16 176.95 2jkp h ALA 427 N 0.89 0.14 -0.76 1.82 0.00 -0.92 -1.35 119.26 119.08 2jkp h ALA 427 Ca 0.06 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.04 2jkp h ALA 427 Cb 0.19 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2jkp h ALA 427 CO -0.00 -0.36 0.50 0.00 0.00 0.00 0.00 179.25 179.38 2jkp h ALA 428 N 1.04 1.76 -0.71 0.00 0.00 -1.23 0.17 119.26 120.29 2jkp h ALA 428 Ca 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2jkp h ALA 428 Cb -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2jkp h ALA 428 CO -0.01 0.09 0.35 0.00 0.00 0.00 0.00 179.25 179.68 2jkp h ARG 429 N 0.72 1.01 -0.18 0.00 3.08 -0.52 -2.48 114.38 116.01 2jkp h ARG 429 Ca 0.34 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.26 2jkp h ARG 429 Cb 0.40 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2jkp h ARG 429 CO -0.12 0.77 0.00 1.63 -1.07 0.00 0.00 179.97 181.18 2jkp n LYS 430 N -4.34 1.78 -1.26 0.04 4.76 -0.59 -4.92 118.16 113.63 2jkp n LYS 430 Ca 0.07 -1.17 -0.09 0.00 -2.87 0.00 0.00 58.31 54.25 2jkp n LYS 430 Cb 0.13 -1.40 -0.04 0.00 -1.84 0.00 0.00 35.03 31.89 2jkp n LYS 430 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jkp n GLY 431 N 1.15 1.06 3.94 0.72 0.00 -0.56 -4.82 105.19 106.68 2jkp n GLY 431 Ca 0.16 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.31 5.30 -0.03 -0.61 -1.09 0.49 -4.98 121.20 117.97 2jkp s ILE 432 Ca 0.00 -0.61 0.06 0.00 -2.23 0.00 0.00 60.65 57.87 2jkp s ILE 432 Cb 0.00 -3.74 -0.02 0.00 -1.58 0.00 0.00 42.46 37.12 2jkp s ILE 432 CO 0.00 -0.10 -0.19 -0.54 -1.23 0.00 0.00 174.94 172.88 2jkp s LYS 433 N -3.23 2.31 0.17 2.79 -0.14 -0.78 -3.73 119.74 117.12 2jkp s LYS 433 Ca 0.35 -0.81 -0.28 0.00 -1.36 0.00 0.00 55.97 53.87 2jkp s LYS 433 Cb -0.11 -2.23 -0.08 0.00 -1.68 0.00 0.00 37.83 33.74 2jkp s LYS 433 CO 0.29 0.59 0.87 -1.64 -0.76 0.00 0.00 175.35 174.70 2jkp s MET 434 N -0.73 4.69 -0.25 1.68 -1.94 -1.26 -1.85 119.30 119.64 2jkp s MET 434 Ca 0.11 1.33 -0.13 0.00 -1.71 0.00 0.00 55.69 55.28 2jkp s MET 434 Cb -0.10 -3.30 -0.04 0.00 2.01 0.00 0.00 34.83 33.39 2jkp s MET 434 CO 0.00 0.46 0.30 1.41 -0.01 0.00 0.00 175.02 177.18 2jkp s MET 435 N -0.84 4.05 0.44 2.03 1.75 -0.06 -4.36 119.30 122.32 2jkp s MET 435 Ca 0.40 -0.06 -0.24 0.00 -1.25 0.00 0.00 55.69 54.54 2jkp s MET 435 Cb -0.24 -3.60 -0.08 0.00 2.84 0.00 0.00 34.83 33.75 2jkp s MET 435 CO 0.29 -0.13 1.19 1.41 -0.65 0.00 0.00 175.02 177.13 2jkp s MET 436 N 1.62 3.84 -0.21 4.11 0.00 -0.27 -3.65 119.30 124.73 2jkp s MET 436 Ca 0.13 1.86 -0.02 0.00 0.00 0.00 0.00 55.69 57.66 2jkp s MET 436 Cb -0.15 -2.52 0.01 0.00 0.00 0.00 0.00 34.83 32.17 2jkp s MET 436 CO 0.08 -0.51 -0.10 -1.58 0.00 0.00 0.00 175.02 172.91 2jkp s HIS 437 N -1.46 2.92 -0.72 4.11 2.46 -1.26 -0.61 115.29 120.72 2jkp s HIS 437 Ca 0.61 -1.29 0.04 0.00 0.47 0.00 0.00 55.06 54.89 2jkp s HIS 437 Cb -0.31 -2.03 0.28 0.00 -0.13 0.00 0.00 32.58 30.39 2jkp s HIS 437 CO 0.38 -0.67 0.98 0.72 -2.47 0.00 0.00 174.74 173.68 2jkp n HIS 438 N 4.71 3.46 -1.90 3.88 8.25 0.11 -4.97 115.22 128.76 2jkp n HIS 438 Ca -0.19 -3.77 -0.42 0.00 -0.26 0.00 0.00 57.72 53.08 2jkp n HIS 438 Cb 0.50 -0.70 -0.03 0.00 1.12 0.00 0.00 29.99 30.88 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 -2.86 4.20 -0.00 -0.41 2.56 -1.26 -2.27 118.70 118.66 2jkp s GLU 439 Ca 0.40 2.39 0.20 0.00 0.00 0.00 0.00 54.97 57.96 2jkp s GLU 439 Cb 0.16 -3.25 -0.22 0.00 2.00 0.00 0.00 34.13 32.82 2jkp s GLU 439 CO -0.02 -0.66 0.82 0.25 -0.56 0.00 0.00 175.26 175.09 2jkp n THR 440 N 4.15 0.00 -2.73 -1.70 -2.24 -0.92 -4.88 114.28 105.97 2jkp n THR 440 Ca 0.15 -0.05 -0.18 0.00 -2.27 0.00 0.00 64.05 61.69 2jkp n THR 440 Cb 0.39 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 2jkp n THR 440 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2jkp n SER 441 N -1.49 -4.73 -1.69 3.42 2.88 -1.26 -1.99 113.62 108.75 2jkp n SER 441 Ca 0.03 -0.06 -0.20 0.00 -1.33 0.00 0.00 58.87 57.32 2jkp n SER 441 Cb 0.32 -3.94 -0.07 0.00 -0.75 0.00 0.00 64.21 59.77 2jkp n SER 441 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jkp n ALA 442 N -2.70 -0.36 -3.33 -1.46 0.00 -1.19 -4.58 120.51 106.88 2jkp n ALA 442 Ca -0.14 0.29 -0.47 0.00 0.00 0.00 0.00 53.44 53.13 2jkp n ALA 442 Cb 0.62 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.01 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 -2.64 6.57 -0.01 0.00 0.15 -0.84 -0.71 113.70 116.20 2jkp s SER 443 Ca 0.00 -2.42 -0.06 0.00 0.70 0.00 0.00 55.95 54.17 2jkp s SER 443 Cb 0.00 -2.20 -0.29 0.00 -1.71 0.00 0.00 66.02 61.82 2jkp s SER 443 CO 0.00 -0.66 0.80 0.58 1.20 0.00 0.00 173.24 175.16 2jkp h VAL 444 N 5.13 1.08 -0.45 4.45 2.07 -1.23 -2.41 116.25 124.88 2jkp h VAL 444 Ca -0.02 -2.70 -0.03 0.00 0.82 0.00 0.00 66.70 64.78 2jkp h VAL 444 Cb 1.06 2.77 -0.02 0.00 -1.52 0.00 0.00 31.29 33.57 2jkp h VAL 444 CO 0.84 0.83 0.18 -0.09 0.02 0.00 0.00 177.57 179.35 2jkp h ARG 445 N 0.08 0.67 -0.94 1.57 2.43 -1.92 -0.44 114.38 115.84 2jkp h ARG 445 Ca -0.28 -0.12 0.09 0.00 -0.81 0.00 0.00 59.98 58.86 2jkp h ARG 445 Cb 2.05 -0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 31.41 2jkp h ARG 445 CO 0.17 0.61 0.58 -0.97 -1.51 0.00 0.00 179.97 178.86 2jkp h ASN 446 N 0.59 0.88 -0.20 -3.80 -1.24 -1.83 0.43 115.58 110.41 2jkp h ASN 446 Ca 0.15 0.03 -0.04 0.00 0.71 0.00 0.00 56.30 57.16 2jkp h ASN 446 Cb 0.19 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 2jkp h ASN 446 CO -0.01 0.51 -0.01 0.22 -1.29 0.00 0.00 177.43 176.85 2jkp h TYR 447 N 0.99 0.40 -0.66 0.67 3.20 -0.89 -2.50 116.97 118.17 2jkp h TYR 447 Ca 0.44 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 62.25 2jkp h TYR 447 Cb 0.34 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 2jkp h TYR 447 CO -0.02 0.57 0.43 0.93 -1.64 0.00 0.00 178.16 178.43 2jkp h GLU 448 N 0.11 0.83 -0.39 1.82 5.08 -0.40 0.54 114.58 122.17 2jkp h GLU 448 Ca 0.06 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2jkp h GLU 448 Cb 0.42 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2jkp h GLU 448 CO 0.01 0.55 0.26 0.00 -1.00 0.00 0.00 179.01 178.83 2jkp h ARG 449 N 0.86 0.50 -0.01 2.33 3.08 -0.04 -2.55 114.38 118.54 2jkp h ARG 449 Ca 0.25 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.27 2jkp h ARG 449 Cb -0.05 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.89 2jkp h ARG 449 CO -0.08 0.33 -0.29 0.72 -1.07 0.00 0.00 179.97 179.58 2jkp n HIS 450 N -4.48 0.00 -0.16 3.04 8.25 -0.62 -4.71 115.22 116.55 2jkp n HIS 450 Ca 0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.40 2jkp n HIS 450 Cb 0.07 -0.05 -0.00 0.00 1.12 0.00 0.00 29.99 31.14 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 2.18 0.76 -0.50 -0.41 -1.53 -0.48 0.15 114.93 115.10 2jkp h MET 451 Ca 0.00 -0.20 -0.01 0.00 -3.44 0.00 0.00 59.70 56.04 2jkp h MET 451 Cb 0.66 -0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 31.59 2jkp h MET 451 CO 0.00 0.78 0.26 -0.44 0.14 0.00 0.00 176.91 177.64 2jkp h ASP 452 N 0.63 0.65 -0.55 1.39 3.32 -1.84 0.17 116.42 120.19 2jkp h ASP 452 Ca 0.14 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 2jkp h ASP 452 Cb 0.38 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2jkp h ASP 452 CO 0.01 0.58 -0.01 0.11 -1.72 0.00 0.00 179.24 178.20 2jkp h LYS 453 N 0.67 0.97 -0.49 3.56 1.57 -1.80 0.62 116.57 121.67 2jkp h LYS 453 Ca 0.17 -0.32 0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2jkp h LYS 453 Cb 0.09 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2jkp h LYS 453 CO -0.02 0.98 0.31 0.00 -0.57 0.00 0.00 179.45 180.15 2jkp h ALA 454 N 0.95 0.62 -0.35 3.86 0.00 -0.52 -0.23 119.26 123.60 2jkp h ALA 454 Ca 0.15 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2jkp h ALA 454 Cb 0.55 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2jkp h ALA 454 CO 0.03 0.03 0.01 1.88 0.00 0.00 0.00 179.25 181.21 2jkp h TYR 455 N 0.63 0.67 -0.80 0.00 0.05 -0.44 -1.32 116.97 115.76 2jkp h TYR 455 Ca 0.19 -0.11 0.10 0.00 0.05 0.00 0.00 58.73 58.95 2jkp h TYR 455 Cb -0.04 -0.18 -0.07 0.00 1.01 0.00 0.00 36.73 37.45 2jkp h TYR 455 CO -0.05 0.71 0.45 0.37 -1.05 0.00 0.00 178.16 178.59 2jkp h GLN 456 N 0.43 0.73 -0.40 4.88 5.75 -0.83 0.94 115.11 126.61 2jkp h GLN 456 Ca 0.10 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.58 2jkp h GLN 456 Cb 0.44 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 2jkp h GLN 456 CO 0.02 0.48 0.22 0.35 -2.65 0.00 0.00 178.83 177.24 2jkp h PHE 457 N 0.75 0.41 -0.45 3.99 3.57 -0.83 0.31 116.94 124.68 2jkp h PHE 457 Ca 0.39 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.96 2jkp h PHE 457 Cb 0.37 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 2jkp h PHE 457 CO -0.07 0.22 0.17 0.52 -2.23 0.00 0.00 178.31 176.92 2jkp h MET 458 N 0.44 0.34 -0.66 1.11 2.86 -0.49 -1.92 114.93 116.61 2jkp h MET 458 Ca 0.17 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.73 2jkp h MET 458 Cb 0.05 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 2jkp h MET 458 CO -0.10 0.22 0.18 0.00 1.06 0.00 0.00 176.91 178.28 2jkp h ALA 459 N 1.29 0.87 0.00 6.32 0.00 0.31 -0.83 119.26 127.22 2jkp h ALA 459 Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jkp h ALA 459 Cb 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2jkp h ALA 459 CO -0.20 0.56 0.00 -0.44 0.00 0.00 0.00 179.25 179.17 2jkp h ASP 460 N 0.97 0.00 0.00 0.00 3.32 -0.03 -3.08 116.42 117.60 2jkp h ASP 460 Ca 0.21 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 2jkp h ASP 460 Cb 0.33 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 2jkp h ASP 460 CO -0.00 0.00 -0.27 0.59 -1.72 0.00 0.00 179.24 177.84 2jkp n ASN 461 N -2.91 1.71 -0.77 6.45 3.02 -0.76 -5.00 115.26 117.01 2jkp n ASN 461 Ca -0.00 -3.00 -0.07 0.00 -0.03 0.00 0.00 54.58 51.47 2jkp n ASN 461 Cb 0.22 -0.40 -0.01 0.00 -0.61 0.00 0.00 39.78 38.98 2jkp n ASN 461 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jkp n GLY 462 N -0.99 0.23 3.69 7.41 0.00 -0.86 -4.88 105.19 109.79 2jkp n GLY 462 Ca 0.13 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.34 3.32 0.00 1.61 2.02 -0.37 -4.39 117.35 117.20 2jkp s TYR 463 Ca 0.00 0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.90 2jkp s TYR 463 Cb 0.00 -2.04 0.00 0.00 -0.40 0.00 0.00 41.96 39.52 2jkp s TYR 463 CO 0.00 0.30 0.65 0.27 -1.57 0.00 0.00 175.55 175.20 2jkp n ASN 464 N 3.15 1.13 -3.88 2.29 0.23 -1.26 -4.14 115.26 112.79 2jkp n ASN 464 Ca -0.17 -1.42 -0.11 0.00 -0.53 0.00 0.00 54.58 52.35 2jkp n ASN 464 Cb 0.53 0.00 -0.13 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 -0.42 0.01 -0.01 0.53 1.04 -1.26 -1.51 113.70 112.08 2jkp s SER 465 Ca 0.00 -0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.44 2jkp s SER 465 Cb 0.00 0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.22 2jkp s SER 465 CO 0.00 -0.09 -0.12 0.54 0.98 0.00 0.00 173.24 174.55 2jkp s VAL 466 N -0.35 0.95 -0.31 5.02 0.11 -0.15 -1.11 120.40 124.57 2jkp s VAL 466 Ca -0.04 -0.50 -0.11 0.00 -2.93 0.00 0.00 61.98 58.39 2jkp s VAL 466 Cb -0.03 -0.81 -0.02 0.00 -1.53 0.00 0.00 36.38 33.99 2jkp s VAL 466 CO -0.00 0.27 0.19 -0.75 -3.33 0.00 0.00 175.10 171.49 2jkp s LYS 467 N -0.19 3.59 0.39 1.54 2.20 0.22 -0.37 119.74 127.12 2jkp s LYS 467 Ca 0.03 -0.56 0.08 0.00 -0.36 0.00 0.00 55.97 55.15 2jkp s LYS 467 Cb -0.06 -3.67 -0.00 0.00 -1.51 0.00 0.00 37.83 32.59 2jkp s LYS 467 CO -0.00 -0.35 0.50 -1.54 -0.36 0.00 0.00 175.35 173.60 2jkp s SER 468 N 1.70 5.62 0.19 1.43 1.04 -0.29 0.05 113.70 123.44 2jkp s SER 468 Ca 0.06 -0.42 -0.14 0.00 0.48 0.00 0.00 55.95 55.93 2jkp s SER 468 Cb -0.17 -0.80 0.01 0.00 0.10 0.00 0.00 66.02 65.17 2jkp s SER 468 CO 0.09 -0.64 0.45 -0.83 0.98 0.00 0.00 173.24 173.29 2jkp s GLY 469 N -4.26 0.16 -0.41 7.32 0.00 -0.96 -1.36 107.32 107.81 2jkp s GLY 469 Ca 0.51 -0.51 0.10 0.00 0.00 0.00 0.00 44.72 44.82 2jkp s GLY 469 CO 0.31 -0.48 0.93 -1.72 0.00 0.00 0.00 173.10 172.14 2jkp n TYR 470 N -0.31 -1.18 -3.12 1.90 4.01 -1.22 -2.16 117.16 115.08 2jkp n TYR 470 Ca -0.08 -2.99 -0.40 0.00 -0.16 0.00 0.00 57.90 54.27 2jkp n TYR 470 Cb 0.62 0.53 -0.06 0.00 -0.31 0.00 0.00 39.34 40.13 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 -1.21 5.03 0.00 -0.72 1.01 -1.26 -4.41 120.40 118.84 2jkp s VAL 471 Ca 0.31 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.51 2jkp s VAL 471 Cb 0.33 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.76 2jkp s VAL 471 CO -0.06 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.79 2jkp n GLY 472 N 3.65 3.05 3.74 4.51 0.00 -1.26 -3.18 105.19 115.69 2jkp n GLY 472 Ca -0.02 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 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 7.33 0.25 1.61 0.02 -1.26 -4.75 114.94 118.14 2jkp s ASN 473 Ca 0.00 2.04 -0.30 0.00 -1.02 0.00 0.00 52.86 53.57 2jkp s ASN 473 Cb 0.00 -2.60 -0.14 0.00 0.02 0.00 0.00 41.25 38.53 2jkp s ASN 473 CO 0.00 -0.17 1.27 -0.38 0.02 0.00 0.00 177.10 177.85 2jkp n ILE 474 N 2.34 1.31 -4.01 0.60 2.08 -1.26 -4.78 119.36 115.64 2jkp n ILE 474 Ca 0.02 -0.33 -0.34 0.00 0.56 0.00 0.00 62.75 62.66 2jkp n ILE 474 Cb 0.47 -1.30 -0.15 0.00 -0.75 0.00 0.00 39.64 37.91 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 -0.44 2.72 0.16 1.39 1.01 0.11 -3.24 121.20 122.90 2jkp s ILE 475 Ca 0.65 -0.73 -0.32 0.00 0.00 0.00 0.00 60.65 60.26 2jkp s ILE 475 Cb -0.68 -2.21 -0.10 0.00 0.01 0.00 0.00 42.46 39.48 2jkp s ILE 475 CO 0.54 0.47 1.58 -2.16 0.00 0.00 0.00 174.94 175.37 2jkp s PRO 476 N 1.38 4.21 0.19 2.79 0.04 -1.26 -0.72 135.00 141.62 2jkp s PRO 476 Ca 0.05 2.37 -0.30 0.00 0.04 0.00 0.00 61.00 63.16 2jkp s PRO 476 Cb -0.14 -3.18 -0.08 0.00 0.04 0.00 0.00 34.50 31.14 2jkp s PRO 476 CO -0.08 -0.62 1.25 1.03 0.04 0.00 0.00 177.00 178.61 2jkp s ARG 477 N 1.24 4.44 0.00 4.56 0.52 -1.20 -2.71 118.95 125.81 2jkp s ARG 477 Ca 0.71 1.95 0.00 0.00 -0.52 0.00 0.00 55.73 57.87 2jkp s ARG 477 Cb -0.44 -3.22 0.00 0.00 0.52 0.00 0.00 34.95 31.81 2jkp s ARG 477 CO 0.31 -0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.88 2jkp n GLY 478 N 2.28 2.75 3.84 -3.53 0.00 -1.26 -5.01 105.19 104.26 2jkp n GLY 478 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.46 3.89 0.30 1.61 0.41 -1.10 -3.58 118.70 119.78 2jkp s GLU 479 Ca 0.00 0.97 0.07 0.00 -0.41 0.00 0.00 54.97 55.60 2jkp s GLU 479 Cb 0.00 -2.13 -0.02 0.00 -1.78 0.00 0.00 34.13 30.20 2jkp s GLU 479 CO 0.00 -0.32 0.35 -1.01 -0.49 0.00 0.00 175.26 173.79 2jkp s HIS 480 N -2.61 3.10 0.43 1.61 3.76 -1.26 -4.28 115.29 116.03 2jkp s HIS 480 Ca 0.59 -0.19 0.09 0.00 -0.15 0.00 0.00 55.06 55.40 2jkp s HIS 480 Cb -0.10 -1.75 0.94 0.00 1.11 0.00 0.00 32.58 32.77 2jkp s HIS 480 CO 0.32 0.22 2.06 0.45 -0.85 0.00 0.00 174.74 176.94 2jkp h HIS 481 N 1.16 0.44 -0.21 1.40 3.86 -1.76 -3.23 115.15 116.82 2jkp h HIS 481 Ca -0.47 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 2jkp h HIS 481 Cb 1.25 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.57 2jkp h HIS 481 CO 0.49 0.27 0.00 0.66 0.86 0.00 0.00 177.93 180.20 2jkp n TYR 482 N -4.48 0.43 -1.27 2.45 4.01 -1.08 -4.48 117.16 112.74 2jkp n TYR 482 Ca 0.03 -0.65 -0.30 0.00 -0.16 0.00 0.00 57.90 56.83 2jkp n TYR 482 Cb 0.11 -0.12 0.14 0.00 -0.31 0.00 0.00 39.34 39.16 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 -1.46 1.61 0.38 2.72 0.00 -1.22 -1.31 107.32 108.04 2jkp s GLY 483 Ca 0.24 -0.16 0.12 0.00 0.00 0.00 0.00 44.72 44.92 2jkp s GLY 483 CO 0.09 0.34 1.87 -1.61 0.00 0.00 0.00 173.10 173.79 2jkp h GLN 484 N -1.54 0.57 0.23 2.90 4.15 -1.81 -1.10 115.11 118.52 2jkp h GLN 484 Ca -0.50 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 58.88 2jkp h GLN 484 Cb 1.29 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.85 2jkp h GLN 484 CO 0.56 0.38 -0.14 2.35 -1.93 0.00 0.00 178.83 180.05 2jkp h TRP 485 N 0.59 -0.36 -0.04 3.99 2.91 -1.92 -2.16 115.95 118.96 2jkp h TRP 485 Ca 0.45 -0.00 -0.18 0.00 1.13 0.00 0.00 58.89 60.29 2jkp h TRP 485 Cb 0.86 0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 29.63 2jkp h TRP 485 CO -0.00 -0.22 -0.76 0.52 -1.03 0.00 0.00 178.44 176.95 2jkp h MET 486 N -0.36 0.29 -0.94 2.65 2.86 -1.73 -2.49 114.93 115.22 2jkp h MET 486 Ca -0.02 -0.26 0.06 0.00 -2.06 0.00 0.00 59.70 57.42 2jkp h MET 486 Cb 0.30 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.95 2jkp h MET 486 CO 0.03 0.92 0.60 -0.91 1.06 0.00 0.00 176.91 178.60 2jkp h ASN 487 N 0.19 0.96 -0.13 1.22 2.35 -1.06 0.43 115.58 119.53 2jkp h ASN 487 Ca -0.03 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2jkp h ASN 487 Cb 1.34 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.49 2jkp h ASN 487 CO 0.12 0.62 0.02 -1.13 -1.65 0.00 0.00 177.43 175.41 2jkp h ASN 488 N 1.10 -0.01 -0.44 5.81 -0.73 -1.27 -2.82 115.58 117.22 2jkp h ASN 488 Ca 0.40 0.02 0.04 0.00 1.87 0.00 0.00 56.30 58.63 2jkp h ASN 488 Cb 0.14 0.03 -0.04 0.00 0.27 0.00 0.00 38.32 38.73 2jkp h ASN 488 CO -0.17 0.02 0.21 -0.74 -0.37 0.00 0.00 177.43 176.38 2jkp h HIS 489 N 0.07 0.38 -0.76 0.67 2.76 -0.66 0.70 115.15 118.31 2jkp h HIS 489 Ca 0.06 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.22 2jkp h HIS 489 Cb 0.06 -0.11 -0.04 0.00 1.55 0.00 0.00 27.41 28.88 2jkp h HIS 489 CO -0.13 0.19 0.35 1.88 -1.30 0.00 0.00 177.93 178.92 2jkp h TYR 490 N 0.42 1.10 -0.07 5.26 0.05 -0.93 -0.89 116.97 121.91 2jkp h TYR 490 Ca 0.19 -0.06 -0.19 0.00 0.05 0.00 0.00 58.73 58.73 2jkp h TYR 490 Cb 0.11 -0.34 -0.00 0.00 1.01 0.00 0.00 36.73 37.51 2jkp h TYR 490 CO -0.11 0.81 -0.75 1.25 -1.05 0.00 0.00 178.16 178.31 2jkp h LEU 491 N 1.09 0.49 -0.35 3.88 5.85 -1.27 -2.47 115.31 122.53 2jkp h LEU 491 Ca 0.26 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.70 2jkp h LEU 491 Cb 0.13 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2jkp h LEU 491 CO -0.03 1.08 0.11 0.22 -0.34 0.00 0.00 178.44 179.47 2jkp h TYR 492 N 0.27 0.19 -0.89 1.25 3.20 -0.46 0.14 116.97 120.67 2jkp h TYR 492 Ca -0.04 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.89 2jkp h TYR 492 Cb 1.33 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 39.52 2jkp h TYR 492 CO 0.05 0.07 0.57 0.00 -1.64 0.00 0.00 178.16 177.21 2jkp h ALA 493 N 1.23 1.17 -0.36 1.82 0.00 -0.99 0.85 119.26 122.99 2jkp h ALA 493 Ca 0.16 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2jkp h ALA 493 Cb 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2jkp h ALA 493 CO -0.18 0.43 -0.28 0.28 0.00 0.00 0.00 179.25 179.51 2jkp h VAL 494 N 1.12 1.28 -0.44 0.00 2.07 -1.08 -0.68 116.25 118.52 2jkp h VAL 494 Ca 0.35 -1.44 -0.14 0.00 0.82 0.00 0.00 66.70 66.30 2jkp h VAL 494 Cb -0.00 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2jkp h VAL 494 CO -0.12 0.47 -0.25 0.11 0.02 0.00 0.00 177.57 177.81 2jkp h LYS 495 N 0.61 0.95 -0.46 1.57 1.57 -0.42 -1.63 116.57 118.76 2jkp h LYS 495 Ca 0.07 -0.43 -0.07 0.00 -1.87 0.00 0.00 60.65 58.35 2jkp h LYS 495 Cb 0.85 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 2jkp h LYS 495 CO 0.07 1.10 0.03 -0.22 -0.57 0.00 0.00 179.45 179.86 2jkp h LYS 496 N 0.79 0.80 -0.92 3.15 3.64 -0.85 -2.67 116.57 120.51 2jkp h LYS 496 Ca 0.09 -0.24 0.11 0.00 -1.27 0.00 0.00 60.65 59.34 2jkp h LYS 496 Cb 0.83 -0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.50 2jkp h LYS 496 CO 0.07 0.84 0.56 0.00 -2.27 0.00 0.00 179.45 178.65 2jkp h ALA 497 N 0.93 1.35 -0.69 5.00 0.00 -0.95 -2.09 119.26 122.81 2jkp h ALA 497 Ca 0.13 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.09 2jkp h ALA 497 Cb 0.46 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2jkp h ALA 497 CO 0.02 0.17 0.46 0.00 0.00 0.00 0.00 179.25 179.90 2jkp h ALA 498 N 1.50 1.56 0.00 0.00 0.00 -0.95 0.52 119.26 121.89 2jkp h ALA 498 Ca 0.45 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 2jkp h ALA 498 Cb 0.43 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jkp h ALA 498 CO -0.26 0.38 -0.25 -0.44 0.00 0.00 0.00 179.25 178.69 2jkp h ASP 499 N 0.88 0.00 -0.22 0.00 3.32 -1.23 -0.56 116.42 118.61 2jkp h ASP 499 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2jkp h ASP 499 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 2jkp h ASP 499 CO -0.07 0.25 0.00 -1.22 -1.72 0.00 0.00 179.24 176.48 2jkp n TYR 500 N -4.08 0.29 -3.73 4.55 4.01 -0.02 -4.95 117.16 113.22 2jkp n TYR 500 Ca -0.02 -0.14 -0.27 0.00 -0.16 0.00 0.00 57.90 57.31 2jkp n TYR 500 Cb 0.31 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.40 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 0.53 -6.99 -4.47 -0.72 5.02 -0.22 -5.00 118.16 106.31 2jkp n LYS 501 Ca 0.16 0.73 -0.34 0.00 -2.02 0.00 0.00 58.31 56.84 2jkp n LYS 501 Cb 0.37 -5.73 -0.11 0.00 -0.02 0.00 0.00 35.03 29.55 2jkp n LYS 501 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jkp s ILE 502 N -3.31 4.02 0.15 -0.18 1.01 -0.09 -4.90 121.20 117.89 2jkp s ILE 502 Ca 0.62 -0.35 -0.10 0.00 0.00 0.00 0.00 60.65 60.82 2jkp s ILE 502 Cb -0.29 -2.68 -0.06 0.00 0.01 0.00 0.00 42.46 39.43 2jkp s ILE 502 CO 0.77 0.58 0.47 -0.04 0.00 0.00 0.00 174.94 176.73 2jkp s MET 503 N -0.64 3.79 -0.01 2.79 -1.94 -0.57 -3.98 119.30 118.74 2jkp s MET 503 Ca 0.10 0.22 0.05 0.00 -1.71 0.00 0.00 55.69 54.35 2jkp s MET 503 Cb -0.12 -2.85 -0.01 0.00 2.01 0.00 0.00 34.83 33.86 2jkp s MET 503 CO 0.02 0.45 -0.17 0.08 -0.01 0.00 0.00 175.02 175.39 2jkp s VAL 504 N -1.59 1.34 -0.23 -6.03 1.01 0.65 -0.98 120.40 114.58 2jkp s VAL 504 Ca 0.40 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 2jkp s VAL 504 Cb -0.13 -1.12 0.07 0.00 0.00 0.00 0.00 36.38 35.20 2jkp s VAL 504 CO 0.20 0.38 0.03 0.21 0.00 0.00 0.00 175.10 175.93 2jkp s ASN 505 N -0.38 3.36 -0.29 3.32 2.47 0.50 -1.21 114.94 122.72 2jkp s ASN 505 Ca 0.06 -1.08 -0.06 0.00 0.42 0.00 0.00 52.86 52.20 2jkp s ASN 505 Cb -0.07 -0.78 0.01 0.00 -1.45 0.00 0.00 41.25 38.97 2jkp s ASN 505 CO -0.01 -0.32 0.05 0.00 -3.72 0.00 0.00 177.10 173.11 2jkp s ALA 506 N 1.71 3.00 0.43 1.71 0.00 -1.00 -1.14 121.76 126.46 2jkp s ALA 506 Ca 0.00 -1.46 -0.22 0.00 0.00 0.00 0.00 51.96 50.29 2jkp s ALA 506 Cb -0.17 -2.07 -0.10 0.00 0.00 0.00 0.00 23.12 20.78 2jkp s ALA 506 CO -0.12 -0.91 0.99 -1.01 0.00 0.00 0.00 175.76 174.71 2jkp s HIS 507 N 1.46 3.26 0.00 0.00 3.76 -0.47 -2.94 115.29 120.37 2jkp s HIS 507 Ca 0.02 1.63 0.00 0.00 -0.15 0.00 0.00 55.06 56.56 2jkp s HIS 507 Cb -0.17 -2.96 0.00 0.00 1.11 0.00 0.00 32.58 30.56 2jkp s HIS 507 CO 0.01 -0.34 0.00 0.39 -0.85 0.00 0.00 174.74 173.95 2jkp n GLU 508 N -0.51 -0.51 -1.63 1.40 4.71 -1.26 -3.44 120.64 119.40 2jkp n GLU 508 Ca 0.07 0.13 -0.30 0.00 -0.01 0.00 0.00 57.16 57.05 2jkp n GLU 508 Cb 0.53 -4.26 0.08 0.00 -1.01 0.00 0.00 31.44 26.77 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 -1.47 2.44 0.12 0.62 0.00 -1.25 -4.85 121.76 117.38 2jkp s ALA 509 Ca 0.00 -0.20 -0.33 0.00 0.00 0.00 0.00 51.96 51.43 2jkp s ALA 509 Cb 0.00 -3.10 -0.18 0.00 0.00 0.00 0.00 23.12 19.84 2jkp s ALA 509 CO 0.00 -1.53 0.79 2.41 0.00 0.00 0.00 175.76 177.42 2jkp n THR 510 N -3.30 1.13 -2.15 0.00 -1.04 -1.26 -4.59 114.28 103.07 2jkp n THR 510 Ca 0.07 -0.28 -0.34 0.00 -2.04 0.00 0.00 64.05 61.45 2jkp n THR 510 Cb 0.56 -0.07 0.01 0.00 -1.82 0.00 0.00 70.33 69.01 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 -0.57 3.25 0.57 -2.82 1.04 -1.26 -4.95 118.95 114.20 2jkp s ARG 511 Ca 0.75 1.54 -0.15 0.00 -1.04 0.00 0.00 55.73 56.83 2jkp s ARG 511 Cb -1.06 -2.00 -0.05 0.00 -2.04 0.00 0.00 34.95 29.81 2jkp s ARG 511 CO 0.56 -0.92 1.02 -1.25 -0.04 0.00 0.00 175.30 174.67 2jkp s PRO 512 N -3.49 3.59 -0.01 3.89 0.04 -1.26 -4.98 135.00 132.79 2jkp s PRO 512 Ca 0.71 1.02 0.14 0.00 0.04 0.00 0.00 61.00 62.91 2jkp s PRO 512 Cb -0.23 -2.08 0.23 0.00 0.04 0.00 0.00 34.50 32.46 2jkp s PRO 512 CO 0.30 -0.57 1.09 0.25 0.04 0.00 0.00 177.00 178.11 2jkp n THR 513 N -2.01 0.06 -0.30 1.26 -2.24 -1.20 -4.50 114.28 105.35 2jkp n THR 513 Ca 0.07 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 2jkp n THR 513 Cb 0.54 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 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 0.22 0.80 0.22 3.38 0.00 0.12 -1.18 105.19 108.75 2jkp n GLY 514 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.21 2jkp n GLY 514 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2jkp h ILE 515 N 0.00 0.00 -0.02 -0.61 2.04 -1.94 -1.86 117.51 115.12 2jkp h ILE 515 Ca 0.00 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.72 2jkp h ILE 515 Cb 0.00 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 2jkp h ILE 515 CO 0.00 0.00 0.02 0.00 0.00 0.00 0.00 178.15 178.17 2jkp h ARG 517 N 0.00 0.64 -0.21 0.00 2.43 -1.64 -1.56 114.38 114.05 2jkp h ARG 517 Ca 0.01 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 58.96 2jkp h ARG 517 Cb 0.05 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2jkp h ARG 517 CO -0.00 0.42 -0.57 1.15 -1.51 0.00 0.00 179.97 179.46 2jkp h THR 518 N 0.66 1.30 -2.88 0.20 2.02 -0.73 -3.10 112.91 110.38 2jkp h THR 518 Ca 0.20 -1.78 -0.61 0.00 0.77 0.00 0.00 66.41 64.99 2jkp h THR 518 Cb -0.02 1.86 -0.40 0.00 -1.74 0.00 0.00 68.15 67.84 2jkp h THR 518 CO -0.07 0.57 -0.74 -0.31 0.37 0.00 0.00 175.52 175.33 2jkp s TYR 519 N -3.95 2.30 -1.89 3.16 2.02 0.04 -0.53 117.35 118.51 2jkp s TYR 519 Ca -0.11 -2.71 0.10 0.00 -0.37 0.00 0.00 57.07 53.97 2jkp s TYR 519 Cb 0.08 -1.94 0.56 0.00 -0.40 0.00 0.00 41.96 40.27 2jkp s TYR 519 CO 0.87 -0.72 1.06 -0.35 -1.57 0.00 0.00 175.55 174.84 2jkp n PRO 520 N 2.87 0.27 0.00 -1.71 -0.04 -0.60 -1.98 135.00 133.81 2jkp n PRO 520 Ca 0.17 0.04 0.14 0.00 -0.04 0.00 0.00 63.50 63.81 2jkp n PRO 520 Cb 0.38 -1.50 0.64 0.00 -0.04 0.00 0.00 33.50 32.98 2jkp n PRO 520 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2jkp n ASN 521 N -1.05 0.33 -4.55 3.54 6.94 -1.26 -4.36 115.26 114.84 2jkp n ASN 521 Ca 0.07 -0.43 -0.42 0.00 -0.02 0.00 0.00 54.58 53.78 2jkp n ASN 521 Cb 0.04 -0.13 -0.02 0.00 -2.36 0.00 0.00 39.78 37.31 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 -2.52 3.80 0.00 -4.53 2.96 -0.84 -0.25 118.68 117.29 2jkp s LEU 522 Ca 0.28 -1.74 0.25 0.00 -0.22 0.00 0.00 54.13 52.70 2jkp s LEU 522 Cb 0.20 -2.55 0.84 0.00 0.50 0.00 0.00 46.19 45.18 2jkp s LEU 522 CO 0.48 -1.37 1.62 2.30 -1.32 0.00 0.00 176.35 178.05 2jkp n ILE 523 N 6.56 0.10 -3.60 6.68 -5.35 -0.35 -4.80 119.36 118.60 2jkp n ILE 523 Ca 0.35 -0.33 -0.05 0.00 -0.27 0.00 0.00 62.75 62.45 2jkp n ILE 523 Cb 0.50 0.58 -0.03 0.00 -1.74 0.00 0.00 39.64 38.94 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 -1.83 -0.20 0.15 3.28 0.00 -1.16 -4.35 107.32 103.22 2jkp s GLY 524 Ca 0.35 1.96 -0.01 0.00 0.00 0.00 0.00 44.72 47.03 2jkp s GLY 524 CO 0.31 0.74 0.08 -1.31 0.00 0.00 0.00 173.10 172.92 2jkp s ASN 525 N -1.75 0.29 0.00 1.64 0.01 -1.23 -2.39 114.94 111.52 2jkp s ASN 525 Ca 0.08 -1.26 0.00 0.00 -0.71 0.00 0.00 52.86 50.97 2jkp s ASN 525 Cb -0.01 0.31 0.00 0.00 0.41 0.00 0.00 41.25 41.97 2jkp s ASN 525 CO -0.05 -0.76 0.00 1.21 -1.51 0.00 0.00 177.10 176.00 2jkp n GLU 526 N -0.15 0.00 -2.94 -0.60 2.13 -1.15 -0.43 120.64 117.50 2jkp n GLU 526 Ca -0.03 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.63 2jkp n GLU 526 Cb 0.64 -0.02 0.03 0.00 0.27 0.00 0.00 31.44 32.36 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 -0.09 -4.72 0.00 4.31 7.64 -1.26 -4.75 113.62 114.76 2jkp n SER 527 Ca 0.00 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.63 2jkp n SER 527 Cb 0.00 -3.48 0.00 0.00 -1.01 0.00 0.00 64.21 59.72 2jkp n SER 527 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jkp n ALA 528 N -3.42 0.00 -2.62 -0.43 0.00 -1.26 -4.70 120.51 108.08 2jkp n ALA 528 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.97 2jkp n ALA 528 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 2jkp n ALA 528 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2jkp s ARG 529 N -2.00 3.98 0.27 0.00 3.52 -1.23 -4.56 118.95 118.92 2jkp s ARG 529 Ca 0.00 0.81 0.03 0.00 -0.13 0.00 0.00 55.73 56.45 2jkp s ARG 529 Cb 0.00 -3.75 0.03 0.00 -1.56 0.00 0.00 34.95 29.67 2jkp s ARG 529 CO 0.00 -0.85 0.29 0.41 -0.81 0.00 0.00 175.30 174.34 2jkp n GLY 530 N 4.09 2.42 0.36 8.12 0.00 -1.26 -4.99 105.19 113.94 2jkp n GLY 530 Ca 0.08 -2.20 0.18 0.00 0.00 0.00 0.00 46.02 44.09 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 0.31 0.32 -0.53 2.61 2.02 -1.77 -0.49 112.91 115.38 2jkp h THR 531 Ca -0.15 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.12 2jkp h THR 531 Cb 0.60 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 2jkp h THR 531 CO 0.22 0.00 0.36 1.05 0.37 0.00 0.00 175.52 177.52 2jkp h GLU 532 N 0.00 0.33 0.00 6.66 4.11 -1.91 0.03 114.58 123.81 2jkp h GLU 532 Ca 0.12 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.53 2jkp h GLU 532 Cb 0.78 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2jkp h GLU 532 CO -0.00 0.22 0.00 0.66 0.07 0.00 0.00 179.01 179.96 2jkp n TYR 533 N -4.47 0.00 0.38 2.06 4.02 -0.19 -1.55 117.16 117.41 2jkp n TYR 533 Ca 0.08 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.10 2jkp n TYR 533 Cb 0.35 -0.40 0.53 0.00 -0.02 0.00 0.00 39.34 39.80 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 -0.01 -0.72 4.39 -1.12 0.62 114.58 117.73 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 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2jkp h GLU 534 CO 0.00 0.00 -0.53 0.45 -1.16 0.00 0.00 179.01 177.77 2jkp n SER 535 N -2.42 1.90 -1.01 1.42 2.88 -0.60 -3.85 113.62 111.94 2jkp n SER 535 Ca 0.02 -1.45 -0.03 0.00 -1.33 0.00 0.00 58.87 56.08 2jkp n SER 535 Cb 0.25 0.54 0.16 0.00 -0.75 0.00 0.00 64.21 64.41 2jkp n SER 535 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2jkp n PHE 536 N -0.19 0.80 0.00 0.66 3.72 -0.85 -4.74 117.46 116.86 2jkp n PHE 536 Ca 0.08 -1.71 0.00 0.00 -0.05 0.00 0.00 57.45 55.78 2jkp n PHE 536 Cb 0.45 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 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 -1.01 1.47 0.00 1.37 0.00 -1.21 -5.02 105.19 100.79 2jkp n GLY 537 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.05 2.81 3.89 -0.02 0.00 0.21 -4.70 105.19 107.33 2jkp n GLY 538 Ca 0.00 -1.83 -0.31 0.00 0.00 0.00 0.00 46.02 43.88 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 6.52 0.40 1.61 0.01 -1.25 -4.67 114.94 117.56 2jkp s ASN 539 Ca 0.00 0.73 -0.25 0.00 -0.71 0.00 0.00 52.86 52.63 2jkp s ASN 539 Cb 0.00 -2.15 -0.11 0.00 0.41 0.00 0.00 41.25 39.40 2jkp s ASN 539 CO 0.00 -0.07 1.09 0.29 -1.51 0.00 0.00 177.10 176.91 2jkp n LYS 540 N -0.33 1.55 -0.30 -0.60 5.02 -1.26 -4.59 118.16 117.64 2jkp n LYS 540 Ca -0.01 0.55 0.13 0.00 -2.02 0.00 0.00 58.31 56.95 2jkp n LYS 540 Cb 0.53 -2.12 0.36 0.00 -0.02 0.00 0.00 35.03 33.77 2jkp n LYS 540 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2jkp h VAL 541 N 1.80 0.79 -0.16 -0.18 2.07 -1.97 -1.00 116.25 117.60 2jkp h VAL 541 Ca -0.45 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.83 2jkp h VAL 541 Cb 1.32 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2jkp h VAL 541 CO 0.58 0.13 0.00 0.00 0.02 0.00 0.00 177.57 178.31 2jkp n TYR 542 N -4.61 0.21 -0.07 1.57 0.18 -1.26 -4.45 117.16 108.72 2jkp n TYR 542 Ca 0.19 -0.11 -0.07 0.00 1.88 0.00 0.00 57.90 59.80 2jkp n TYR 542 Cb 0.51 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.47 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 1.29 0.02 0.00 -3.48 2.76 -1.52 -1.66 115.15 112.56 2jkp h HIS 543 Ca 0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2jkp h HIS 543 Cb 0.29 0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.28 2jkp h HIS 543 CO 0.11 -0.03 0.00 0.25 -1.30 0.00 0.00 177.93 176.96 2jkp n THR 544 N -5.14 0.32 1.56 6.26 -2.24 -1.26 -1.74 114.28 112.04 2jkp n THR 544 Ca -0.00 0.08 0.14 0.00 -2.27 0.00 0.00 64.05 62.00 2jkp n THR 544 Cb 0.14 -0.71 0.64 0.00 -2.10 0.00 0.00 70.33 68.30 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 -1.31 0.00 -0.04 4.28 -2.24 -0.63 -4.41 114.28 109.94 2jkp n THR 545 Ca 0.10 -0.12 -0.06 0.00 -2.27 0.00 0.00 64.05 61.70 2jkp n THR 545 Cb 0.19 0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.46 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 -0.52 0.42 -0.25 2.28 5.41 -0.71 -2.12 119.36 123.87 2jkp n ILE 546 Ca 0.18 -0.14 0.06 0.00 1.00 0.00 0.00 62.75 63.84 2jkp n ILE 546 Cb 0.27 -0.99 0.18 0.00 -0.71 0.00 0.00 39.64 38.40 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 -0.08 0.01 -2.08 1.39 3.38 -1.66 0.28 115.31 116.56 2jkp h LEU 547 Ca -0.17 0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.05 2jkp h LEU 547 Cb 1.23 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 2jkp h LEU 547 CO -0.05 -0.04 0.29 -0.65 0.09 0.00 0.00 178.44 178.08 2jkp h PRO 548 N 0.26 0.00 0.00 1.13 0.11 -1.87 -0.12 132.00 131.52 2jkp h PRO 548 Ca 0.42 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.53 2jkp h PRO 548 Cb 0.71 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.82 2jkp h PRO 548 CO -0.51 0.00 -0.54 0.74 -0.21 0.00 0.00 178.00 177.48 2jkp h PHE 549 N 0.00 0.00 0.00 0.65 0.04 -0.75 -3.38 116.94 113.50 2jkp h PHE 549 Ca 0.16 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.93 2jkp h PHE 549 Cb 0.75 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.90 2jkp h PHE 549 CO 0.00 0.00 0.00 0.25 -0.60 0.00 0.00 178.31 177.96 2jkp n THR 550 N -2.88 0.00 -0.24 -1.55 -2.24 -0.88 -4.75 114.28 101.74 2jkp n THR 550 Ca 0.02 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.76 2jkp n THR 550 Cb 0.54 -0.37 0.07 0.00 -2.10 0.00 0.00 70.33 68.48 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 0.81 0.00 -0.78 9.65 -1.39 -1.36 114.38 121.32 2jkp h ARG 551 Ca 0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2jkp h ARG 551 Cb 0.00 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.40 2jkp h ARG 551 CO 0.00 0.54 0.00 1.28 2.80 0.00 0.00 179.97 184.59 2jkp n LEU 552 N -4.67 0.52 -4.60 3.80 4.77 -0.21 -4.52 117.00 112.08 2jkp n LEU 552 Ca 0.07 0.64 -0.43 0.00 -0.03 0.00 0.00 56.01 56.26 2jkp n LEU 552 Cb 0.08 -0.58 -0.02 0.00 -2.33 0.00 0.00 43.42 40.57 2jkp n LEU 552 CO 0.33 -0.52 1.39 -0.69 -1.33 0.00 0.00 177.39 176.57 2jkp s VAL 553 N -3.26 3.67 0.00 4.08 1.01 -0.51 -2.01 120.40 123.37 2jkp s VAL 553 Ca 0.04 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.70 2jkp s VAL 553 Cb 0.09 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2jkp s VAL 553 CO 0.35 -0.58 0.00 0.61 0.00 0.00 0.00 175.10 175.48 2jkp n GLY 554 N 5.27 1.49 0.00 4.51 0.00 -1.26 -4.72 105.19 110.48 2jkp n GLY 554 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.88 3.43 3.74 -0.02 0.00 -0.85 0.13 105.19 110.73 2jkp n GLY 555 Ca 0.00 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.00 1.74 -0.01 1.61 0.04 -1.26 -4.36 135.00 130.76 2jkp s PRO 556 Ca 0.00 1.11 0.08 0.00 0.04 0.00 0.00 61.00 62.23 2jkp s PRO 556 Cb 0.00 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.68 2jkp s PRO 556 CO 0.00 -1.99 -0.25 1.41 0.04 0.00 0.00 177.00 176.21 2jkp s MET 557 N -4.87 1.98 -1.06 4.56 1.75 -1.25 -3.57 119.30 116.85 2jkp s MET 557 Ca 0.63 -0.94 -0.15 0.00 -1.25 0.00 0.00 55.69 53.98 2jkp s MET 557 Cb -0.18 -1.96 0.17 0.00 2.84 0.00 0.00 34.83 35.69 2jkp s MET 557 CO 0.57 0.53 1.23 0.34 -0.65 0.00 0.00 175.02 177.04 2jkp s ASP 558 N -0.72 6.90 0.17 1.11 2.15 0.43 -4.76 116.67 121.95 2jkp s ASP 558 Ca 0.10 -2.66 0.25 0.00 0.43 0.00 0.00 52.55 50.67 2jkp s ASP 558 Cb -0.10 -2.36 0.64 0.00 -0.30 0.00 0.00 42.92 40.80 2jkp s ASP 558 CO -0.00 -0.81 1.60 0.00 -0.17 0.00 0.00 175.17 175.79 2jkp n TYR 559 N 5.56 0.76 -3.74 -5.34 9.36 -1.26 -4.70 117.16 117.79 2jkp n TYR 559 Ca 0.29 0.22 -0.26 0.00 3.32 0.00 0.00 57.90 61.47 2jkp n TYR 559 Cb 0.45 -0.82 0.02 0.00 -0.63 0.00 0.00 39.34 38.37 2jkp n TYR 559 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 2jkp n THR 560 N -2.18 -4.84 -0.70 2.97 -2.24 -1.26 -2.42 114.28 103.61 2jkp n THR 560 Ca 0.05 -0.72 -0.10 0.00 -2.27 0.00 0.00 64.05 61.01 2jkp n THR 560 Cb 0.43 -3.81 0.08 0.00 -2.10 0.00 0.00 70.33 64.94 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 -4.23 -1.66 -0.79 -0.78 -0.04 -1.26 -4.51 135.00 121.74 2jkp n PRO 561 Ca -0.21 -0.58 0.00 0.00 -0.04 0.00 0.00 63.50 62.67 2jkp n PRO 561 Cb 0.64 -0.53 0.00 0.00 -0.04 0.00 0.00 33.50 33.57 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 0.19 1.35 3.64 0.55 0.00 -1.26 -2.35 105.19 107.31 2jkp n GLY 562 Ca 0.05 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 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 4.93 -0.24 -0.61 -1.09 -1.26 -3.69 121.20 117.24 2jkp s ILE 563 Ca 0.00 1.34 -0.17 0.00 -2.23 0.00 0.00 60.65 59.59 2jkp s ILE 563 Cb 0.00 -4.02 -0.14 0.00 -1.58 0.00 0.00 42.46 36.72 2jkp s ILE 563 CO 0.00 0.01 -0.13 0.49 -1.23 0.00 0.00 174.94 174.08 2jkp n PHE 564 N 5.63 0.43 -2.54 3.97 3.01 -1.26 -4.68 117.46 122.02 2jkp n PHE 564 Ca 0.02 0.18 -0.41 0.00 1.01 0.00 0.00 57.45 58.25 2jkp n PHE 564 Cb 0.49 -1.01 -0.03 0.00 -0.01 0.00 0.00 39.48 38.91 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 -2.46 3.22 0.00 -1.08 2.56 -1.26 -4.86 118.70 114.82 2jkp s GLU 565 Ca -0.34 -0.32 0.28 0.00 0.00 0.00 0.00 54.97 54.59 2jkp s GLU 565 Cb 0.11 -4.31 1.05 0.00 2.00 0.00 0.00 34.13 32.97 2jkp s GLU 565 CO 0.52 -2.17 1.74 0.25 -0.56 0.00 0.00 175.26 175.04 2jkp n THR 566 N 6.45 0.00 -3.49 -1.70 -2.24 -1.26 -4.66 114.28 107.37 2jkp n THR 566 Ca 0.07 -0.13 -0.40 0.00 -2.27 0.00 0.00 64.05 61.31 2jkp n THR 566 Cb 0.49 0.23 -0.10 0.00 -2.10 0.00 0.00 70.33 68.85 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 -2.32 3.22 -0.03 4.78 3.76 -1.26 -0.33 115.29 123.11 2jkp s HIS 567 Ca 0.31 -0.12 0.30 0.00 -0.15 0.00 0.00 55.06 55.41 2jkp s HIS 567 Cb 0.20 -2.53 1.08 0.00 1.11 0.00 0.00 32.58 32.45 2jkp s HIS 567 CO 0.45 -0.36 1.88 0.00 -0.85 0.00 0.00 174.74 175.85 2jkp h ASN 569 N 0.00 0.00 1.44 0.00 7.08 -1.35 0.28 115.58 123.02 2jkp h ASN 569 Ca -0.00 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.19 2jkp h ASN 569 Cb 0.65 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.89 2jkp h ASN 569 CO 0.00 0.00 -0.12 0.11 -2.08 0.00 0.00 177.43 175.34 2jkp h LYS 570 N 0.00 0.00 0.11 4.14 1.57 -1.81 -2.94 116.57 117.63 2jkp h LYS 570 Ca -0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 2jkp h LYS 570 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2jkp h LYS 570 CO 0.00 0.12 -1.55 0.52 -0.57 0.00 0.00 179.45 177.97 2jkp h MET 571 N 0.00 0.23 -2.89 3.15 2.86 -0.73 -3.46 114.93 114.08 2jkp h MET 571 Ca -0.00 -0.39 -0.31 0.00 -2.06 0.00 0.00 59.70 56.95 2jkp h MET 571 Cb 0.87 0.14 -0.36 0.00 0.06 0.00 0.00 31.60 32.32 2jkp h MET 571 CO 0.02 1.18 -0.63 1.21 1.06 0.00 0.00 176.91 179.75 2jkp s ASN 572 N -7.03 1.02 0.57 1.22 2.47 -0.22 -4.52 114.94 108.45 2jkp s ASN 572 Ca -0.21 0.12 0.38 0.00 0.42 0.00 0.00 52.86 53.57 2jkp s ASN 572 Cb 0.05 0.32 2.05 0.00 -1.45 0.00 0.00 41.25 42.21 2jkp s ASN 572 CO 0.75 -0.28 2.17 -0.65 -3.72 0.00 0.00 177.10 175.37 2jkp h PRO 573 N 8.34 0.00 -0.00 0.43 0.11 -1.79 -1.45 132.00 137.64 2jkp h PRO 573 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 2jkp h PRO 573 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2jkp h PRO 573 CO 0.19 0.00 -0.29 0.00 -0.21 0.00 0.00 178.00 177.69 2jkp n ALA 574 N -2.00 3.08 -2.61 -0.75 0.00 -1.26 -4.72 120.51 112.25 2jkp n ALA 574 Ca -0.02 -0.28 -0.42 0.00 0.00 0.00 0.00 53.44 52.72 2jkp n ALA 574 Cb 0.08 -1.24 -0.11 0.00 0.00 0.00 0.00 19.45 18.19 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 -2.86 5.95 -0.18 0.00 3.84 -0.55 -4.93 114.94 116.21 2jkp s ASN 575 Ca 0.16 -0.91 0.16 0.00 0.21 0.00 0.00 52.86 52.48 2jkp s ASN 575 Cb 0.18 -2.10 0.78 0.00 -0.55 0.00 0.00 41.25 39.57 2jkp s ASN 575 CO 0.60 -0.41 1.70 0.59 -2.79 0.00 0.00 177.10 176.80 2jkp n ASN 576 N 5.09 5.33 -4.77 -4.21 4.13 -1.26 -1.43 115.26 118.14 2jkp n ASN 576 Ca -0.11 -2.70 -0.39 0.00 1.68 0.00 0.00 54.58 53.05 2jkp n ASN 576 Cb 0.47 -0.64 -0.01 0.00 -1.54 0.00 0.00 39.78 38.06 2jkp n ASN 576 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2jkp s SER 577 N -0.84 6.35 -0.10 6.41 0.15 -1.26 -4.86 113.70 119.54 2jkp s SER 577 Ca 0.54 2.65 0.02 0.00 0.70 0.00 0.00 55.95 59.85 2jkp s SER 577 Cb 0.38 -2.64 0.01 0.00 -1.71 0.00 0.00 66.02 62.07 2jkp s SER 577 CO 0.20 -0.82 -0.15 -1.58 1.20 0.00 0.00 173.24 172.10 2jkp s GLN 578 N -2.21 2.10 0.09 5.44 0.74 -1.26 -1.29 119.66 123.28 2jkp s GLN 578 Ca 0.56 -0.52 -0.31 0.00 0.05 0.00 0.00 55.36 55.14 2jkp s GLN 578 Cb -0.38 -1.79 -0.09 0.00 1.10 0.00 0.00 33.01 31.85 2jkp s GLN 578 CO 0.49 -0.05 1.77 0.08 -0.55 0.00 0.00 175.29 177.03 2jkp s VAL 579 N 0.94 2.78 -1.44 1.34 1.01 0.55 -4.61 120.40 120.97 2jkp s VAL 579 Ca -0.08 0.22 -0.13 0.00 0.00 0.00 0.00 61.98 61.99 2jkp s VAL 579 Cb -0.15 -3.14 0.06 0.00 0.00 0.00 0.00 36.38 33.14 2jkp s VAL 579 CO -0.01 -0.00 2.20 0.54 0.00 0.00 0.00 175.10 177.83 2jkp n ARG 580 N 5.81 2.99 -3.47 2.72 5.12 -1.26 -4.81 116.66 123.75 2jkp n ARG 580 Ca 0.17 -2.73 -0.14 0.00 -1.93 0.00 0.00 57.85 53.23 2jkp n ARG 580 Cb 0.39 -3.22 -0.04 0.00 -1.16 0.00 0.00 32.46 28.43 2jkp n ARG 580 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2jkp s SER 581 N 2.83 -0.58 0.60 0.55 0.15 -1.26 -4.71 113.70 111.28 2jkp s SER 581 Ca 0.46 0.23 -0.04 0.00 0.70 0.00 0.00 55.95 57.30 2jkp s SER 581 Cb 0.13 0.57 0.03 0.00 -1.71 0.00 0.00 66.02 65.04 2jkp s SER 581 CO -0.08 -0.83 0.88 0.42 1.20 0.00 0.00 173.24 174.84 2jkp s THR 582 N -2.84 3.17 0.18 6.45 -4.23 -0.75 -4.64 115.64 112.98 2jkp s THR 582 Ca -0.03 -0.23 -0.12 0.00 -1.18 0.00 0.00 61.69 60.13 2jkp s THR 582 Cb -0.01 -3.27 0.09 0.00 1.34 0.00 0.00 72.50 70.65 2jkp s THR 582 CO -0.05 -0.25 1.76 0.40 -0.54 0.00 0.00 174.62 175.94 2jkp h ILE 583 N -0.18 1.22 -0.46 2.99 2.04 -1.44 -2.48 117.51 119.19 2jkp h ILE 583 Ca -0.45 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 64.75 2jkp h ILE 583 Cb 1.28 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 2jkp h ILE 583 CO 0.59 0.25 0.10 0.00 0.00 0.00 0.00 178.15 179.09 2jkp h ALA 584 N 1.12 1.33 -0.20 1.87 0.00 -1.85 -1.63 119.26 119.89 2jkp h ALA 584 Ca 0.21 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2jkp h ALA 584 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2jkp h ALA 584 CO -0.03 0.48 -0.37 -0.09 0.00 0.00 0.00 179.25 179.24 2jkp h ARG 585 N 0.67 0.44 -0.90 0.00 2.43 -1.64 -2.03 114.38 113.35 2jkp h ARG 585 Ca 0.15 -0.21 0.08 0.00 -0.81 0.00 0.00 59.98 59.20 2jkp h ARG 585 Cb 0.26 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.74 2jkp h ARG 585 CO -0.00 0.75 0.55 1.96 -1.51 0.00 0.00 179.97 181.72 2jkp h GLN 586 N 0.37 0.93 -0.70 0.20 1.08 -0.89 -1.70 115.11 114.40 2jkp h GLN 586 Ca 0.04 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2jkp h GLN 586 Cb 0.82 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 28.01 2jkp h GLN 586 CO 0.07 0.61 0.38 -0.07 -0.95 0.00 0.00 178.83 178.87 2jkp h LEU 587 N 0.95 0.87 -2.12 1.46 3.38 -0.84 -2.70 115.31 116.32 2jkp h LEU 587 Ca 0.41 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.32 2jkp h LEU 587 Cb 0.28 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2jkp h LEU 587 CO -0.21 0.72 0.11 0.00 0.09 0.00 0.00 178.44 179.15 2jkp h ALA 588 N 1.19 1.98 0.00 1.53 0.00 -0.62 -2.52 119.26 120.81 2jkp h ALA 588 Ca 0.24 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2jkp h ALA 588 Cb 0.05 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2jkp h ALA 588 CO -0.04 -0.17 -0.00 -0.07 0.00 0.00 0.00 179.25 178.97 2jkp h LEU 589 N 0.00 0.00 -0.98 0.00 3.38 -1.13 0.91 115.31 117.49 2jkp h LEU 589 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2jkp h LEU 589 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2jkp h LEU 589 CO -0.00 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.31 2jkp n TYR 590 N -3.10 0.82 -0.05 1.13 4.01 -0.95 -1.22 117.16 117.81 2jkp n TYR 590 Ca 0.00 0.35 -0.06 0.00 -0.16 0.00 0.00 57.90 58.04 2jkp n TYR 590 Cb 0.29 -1.07 -0.05 0.00 -0.31 0.00 0.00 39.34 38.20 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 -2.28 0.55 0.35 -0.72 0.31 -0.16 -4.72 118.33 111.66 2jkp n VAL 591 Ca 0.01 -0.25 0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2jkp n VAL 591 Cb 0.17 -0.83 0.12 0.00 -0.91 0.00 0.00 33.84 32.39 2jkp n VAL 591 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2jkp h THR 592 N 0.00 0.00 -3.47 2.52 1.35 -0.89 -3.38 112.91 109.05 2jkp h THR 592 Ca -0.22 -0.76 -0.72 0.00 -0.55 0.00 0.00 66.41 64.17 2jkp h THR 592 Cb 1.38 1.40 -0.34 0.00 -1.73 0.00 0.00 68.15 68.87 2jkp h THR 592 CO -0.02 0.00 -0.11 -0.04 -0.25 0.00 0.00 175.52 175.10 2jkp s MET 593 N -3.24 3.16 0.20 4.72 1.00 -0.35 -4.82 119.30 119.97 2jkp s MET 593 Ca 0.04 -2.95 -0.32 0.00 0.00 0.00 0.00 55.69 52.46 2jkp s MET 593 Cb 0.11 -3.99 -0.14 0.00 0.00 0.00 0.00 34.83 30.81 2jkp s MET 593 CO 0.73 -1.24 1.44 0.98 0.00 0.00 0.00 175.02 176.94 2jkp n TYR 594 N 2.91 2.11 -3.64 -0.03 9.36 -1.26 -4.78 117.16 121.83 2jkp n TYR 594 Ca 0.16 0.41 -0.08 0.00 3.32 0.00 0.00 57.90 61.72 2jkp n TYR 594 Cb 0.39 -2.47 -0.07 0.00 -0.63 0.00 0.00 39.34 36.56 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 0.48 -0.42 0.00 2.98 0.15 -1.26 -3.81 113.70 111.82 2jkp s SER 595 Ca 0.73 0.79 0.24 0.00 0.70 0.00 0.00 55.95 58.41 2jkp s SER 595 Cb -0.69 0.85 1.10 0.00 -1.71 0.00 0.00 66.02 65.57 2jkp s SER 595 CO 0.46 -0.14 1.79 -0.81 1.20 0.00 0.00 173.24 175.74 2jkp n PRO 596 N 2.34 0.12 -4.06 5.44 -0.04 -1.26 -4.56 135.00 132.98 2jkp n PRO 596 Ca -0.13 0.08 -0.32 0.00 -0.04 0.00 0.00 63.50 63.08 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 -2.86 3.40 -0.13 1.53 2.96 -1.26 -0.97 118.68 121.36 2jkp s LEU 597 Ca 0.15 -1.33 0.00 0.00 -0.22 0.00 0.00 54.13 52.73 2jkp s LEU 597 Cb 0.16 -1.56 0.02 0.00 0.50 0.00 0.00 46.19 45.31 2jkp s LEU 597 CO 0.42 -0.18 -0.11 -1.10 -1.32 0.00 0.00 176.35 174.06 2jkp s GLN 598 N 1.13 1.86 0.13 1.98 -1.52 -0.64 -4.75 119.66 117.85 2jkp s GLN 598 Ca -0.08 -0.39 -0.05 0.00 -1.95 0.00 0.00 55.36 52.90 2jkp s GLN 598 Cb -0.19 -1.80 -0.05 0.00 -0.22 0.00 0.00 33.01 30.75 2jkp s GLN 598 CO -0.05 -0.24 0.36 1.41 -0.25 0.00 0.00 175.29 176.52 2jkp s MET 599 N 1.56 3.61 -0.45 2.91 -2.45 -1.26 -1.23 119.30 121.99 2jkp s MET 599 Ca 0.04 -0.10 -0.12 0.00 -1.25 0.00 0.00 55.69 54.25 2jkp s MET 599 Cb -0.13 -2.88 0.08 0.00 1.25 0.00 0.00 34.83 33.15 2jkp s MET 599 CO -0.09 0.49 0.34 0.00 1.05 0.00 0.00 175.02 176.82 2jkp s ALA 600 N -1.61 3.44 -0.50 4.11 0.00 0.35 -4.03 121.76 123.51 2jkp s ALA 600 Ca 0.39 -2.19 0.24 0.00 0.00 0.00 0.00 51.96 50.40 2jkp s ALA 600 Cb -0.12 -2.88 0.25 0.00 0.00 0.00 0.00 23.12 20.37 2jkp s ALA 600 CO 0.24 -1.72 1.28 0.00 0.00 0.00 0.00 175.76 175.56 2jkp h ALA 601 N 8.59 0.61 -2.35 0.00 0.00 -1.63 -3.40 119.26 121.09 2jkp h ALA 601 Ca -0.26 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.19 2jkp h ALA 601 Cb 1.10 0.00 0.15 0.00 0.00 0.00 0.00 17.79 19.04 2jkp h ALA 601 CO 0.83 0.00 0.22 0.34 0.00 0.00 0.00 179.25 180.65 2jkp s ASP 602 N -4.79 3.05 0.49 0.00 -1.08 -1.24 -4.38 116.67 108.72 2jkp s ASP 602 Ca 0.04 1.33 -0.14 0.00 -0.52 0.00 0.00 52.55 53.26 2jkp s ASP 602 Cb 0.11 -2.00 -0.07 0.00 -1.46 0.00 0.00 42.92 39.50 2jkp s ASP 602 CO 0.73 -2.89 0.92 0.27 0.52 0.00 0.00 175.17 174.72 2jkp s ILE 603 N -2.95 4.63 0.25 4.11 -4.36 -1.26 -4.84 121.20 116.77 2jkp s ILE 603 Ca 0.64 0.99 -0.03 0.00 -0.26 0.00 0.00 60.65 61.99 2jkp s ILE 603 Cb -0.18 -3.74 0.23 0.00 1.25 0.00 0.00 42.46 40.02 2jkp s ILE 603 CO 0.57 -0.67 1.75 -0.65 0.24 0.00 0.00 174.94 176.19 2jkp h PRO 604 N 0.94 0.54 -0.69 0.37 0.11 -1.96 -1.73 132.00 129.59 2jkp h PRO 604 Ca -0.47 -0.03 0.14 0.00 0.11 0.00 0.00 66.00 65.75 2jkp h PRO 604 Cb 1.19 -0.12 -0.13 0.00 0.11 0.00 0.00 31.00 32.05 2jkp h PRO 604 CO 0.62 0.36 -0.14 0.93 -0.21 0.00 0.00 178.00 179.56 2jkp h GLU 605 N 0.56 0.02 0.00 1.05 5.08 -1.99 -0.58 114.58 118.72 2jkp h GLU 605 Ca 0.43 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.71 2jkp h GLU 605 Cb 0.61 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2jkp h GLU 605 CO -0.37 0.01 -0.40 -0.91 -1.00 0.00 0.00 179.01 176.34 2jkp h ASN 606 N 0.02 0.00 0.39 1.42 2.35 -1.70 -2.50 115.58 115.56 2jkp h ASN 606 Ca 0.34 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.95 2jkp h ASN 606 Cb 0.53 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 2jkp h ASN 606 CO -0.69 0.40 -0.59 1.88 -1.65 0.00 0.00 177.43 176.78 2jkp h TYR 607 N 0.00 0.25 0.00 1.19 0.05 -1.05 -2.90 116.97 114.51 2jkp h TYR 607 Ca -0.00 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.68 2jkp h TYR 607 Cb 0.72 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.41 2jkp h TYR 607 CO 0.00 0.74 0.00 0.39 -1.05 0.00 0.00 178.16 178.24 2jkp n GLU 608 N -3.87 0.18 0.00 4.88 -0.58 -0.36 -1.62 120.64 119.27 2jkp n GLU 608 Ca -0.02 0.32 0.13 0.00 -0.42 0.00 0.00 57.16 57.17 2jkp n GLU 608 Cb 0.61 -1.79 0.50 0.00 -0.57 0.00 0.00 31.44 30.19 2jkp n GLU 608 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2jkp n ARG 609 N -2.12 0.08 -2.70 3.49 0.63 -1.08 -4.21 116.66 110.75 2jkp n ARG 609 Ca 0.04 -0.02 -0.06 0.00 -0.92 0.00 0.00 57.85 56.88 2jkp n ARG 609 Cb 0.29 -1.50 0.07 0.00 0.45 0.00 0.00 32.46 31.76 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 -1.44 -0.06 0.28 -0.14 3.72 -0.64 -4.96 117.46 114.22 2jkp n PHE 610 Ca 0.07 -2.37 0.14 0.00 -0.05 0.00 0.00 57.45 55.25 2jkp n PHE 610 Cb 0.33 0.33 0.81 0.00 -0.94 0.00 0.00 39.48 40.01 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 2.51 0.00 -0.32 -1.08 2.86 -1.62 0.11 114.93 117.39 2jkp h MET 611 Ca -0.18 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.31 2jkp h MET 611 Cb 1.24 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.89 2jkp h MET 611 CO 0.24 0.08 -0.38 0.38 1.06 0.00 0.00 176.91 178.28 2jkp h ASP 612 N 0.00 0.89 -0.52 1.22 2.03 -1.93 -2.19 116.42 115.92 2jkp h ASP 612 Ca -0.00 -0.49 -0.11 0.00 -0.73 0.00 0.00 57.03 55.70 2jkp h ASP 612 Cb 0.22 -0.25 -0.02 0.00 -0.83 0.00 0.00 39.33 38.45 2jkp h ASP 612 CO 0.01 1.20 -0.09 0.00 -1.03 0.00 0.00 179.24 179.33 2jkp h ALA 613 N 0.71 0.81 -0.37 4.15 0.00 -1.73 -3.08 119.26 119.75 2jkp h ALA 613 Ca 0.04 -0.34 0.11 0.00 0.00 0.00 0.00 54.91 54.72 2jkp h ALA 613 Cb 0.98 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2jkp h ALA 613 CO 0.09 0.66 0.29 0.35 0.00 0.00 0.00 179.25 180.64 2jkp h PHE 614 N 0.90 0.00 -0.87 0.00 3.57 -0.62 -2.50 116.94 117.42 2jkp h PHE 614 Ca 0.14 0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.86 2jkp h PHE 614 Cb 0.65 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 2jkp h PHE 614 CO 0.04 0.00 0.59 0.37 -2.23 0.00 0.00 178.31 177.08 2jkp h GLN 615 N 0.00 0.26 -0.44 1.11 5.75 -1.31 0.74 115.11 121.22 2jkp h GLN 615 Ca 0.17 -0.02 -0.09 0.00 -0.15 0.00 0.00 58.65 58.57 2jkp h GLN 615 Cb 0.75 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.22 2jkp h GLN 615 CO -0.00 0.17 -0.09 0.35 -2.65 0.00 0.00 178.83 176.60 2jkp h PHE 616 N 0.27 0.85 -0.17 3.99 3.57 -1.66 -1.68 116.94 122.10 2jkp h PHE 616 Ca 0.44 -0.15 -0.12 0.00 3.53 0.00 0.00 57.97 61.67 2jkp h PHE 616 Cb 1.30 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 2jkp h PHE 616 CO -0.00 0.83 -0.41 0.82 -2.23 0.00 0.00 178.31 177.32 2jkp h ILE 617 N 0.70 1.31 -0.20 1.41 2.04 -1.05 -0.51 117.51 121.22 2jkp h ILE 617 Ca 0.12 -1.55 -0.14 0.00 1.00 0.00 0.00 64.86 64.29 2jkp h ILE 617 Cb 0.57 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 2jkp h ILE 617 CO 0.04 0.48 -0.47 0.11 0.00 0.00 0.00 178.15 178.30 2jkp h LYS 618 N 0.33 0.52 0.12 2.37 1.57 -1.12 -3.29 116.57 117.06 2jkp h LYS 618 Ca 0.03 -0.29 -0.31 0.00 -1.87 0.00 0.00 60.65 58.21 2jkp h LYS 618 Cb 0.86 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 2jkp h LYS 618 CO 0.07 0.88 -1.55 -0.44 -0.57 0.00 0.00 179.45 177.84 2jkp h ASP 619 N 0.42 0.38 -3.26 0.86 3.32 -0.83 -3.48 116.42 113.84 2jkp h ASP 619 Ca 0.02 -0.55 -0.57 0.00 0.02 0.00 0.00 57.03 55.96 2jkp h ASP 619 Cb 0.99 -0.12 0.10 0.00 0.22 0.00 0.00 39.33 40.51 2jkp h ASP 619 CO 0.09 1.46 0.58 0.55 -1.72 0.00 0.00 179.24 180.19 2jkp n VAL 620 N -3.44 1.74 -2.28 -1.35 3.14 -0.24 -4.98 118.33 110.91 2jkp n VAL 620 Ca -0.17 -0.43 -0.26 0.00 -2.96 0.00 0.00 64.34 60.51 2jkp n VAL 620 Cb 1.04 -1.62 0.14 0.00 -1.06 0.00 0.00 33.84 32.34 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 -0.83 3.02 0.00 1.55 0.00 -1.26 -5.03 121.76 119.22 2jkp s ALA 621 Ca 0.58 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2jkp s ALA 621 Cb -0.57 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.18 2jkp s ALA 621 CO 0.59 -1.91 0.24 1.28 0.00 0.00 0.00 175.76 175.96 2jkp n LEU 622 N -3.26 0.47 -3.87 0.00 4.77 -1.26 -5.01 117.00 108.83 2jkp n LEU 622 Ca 0.15 -0.65 -0.10 0.00 -0.03 0.00 0.00 56.01 55.38 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 -0.14 -0.62 -1.33 0.00 0.00 177.39 175.85 2jkp s ASP 623 N -0.35 0.06 -0.04 -1.43 2.15 -1.26 -4.15 116.67 111.64 2jkp s ASP 623 Ca 0.00 -0.35 -0.04 0.00 0.43 0.00 0.00 52.55 52.59 2jkp s ASP 623 Cb 0.00 0.25 0.01 0.00 -0.30 0.00 0.00 42.92 42.88 2jkp s ASP 623 CO 0.00 -0.49 0.12 0.26 -0.17 0.00 0.00 175.17 174.89 2jkp s TRP 624 N -2.19 -0.13 -0.08 -5.34 0.52 -1.18 -1.59 118.94 108.95 2jkp s TRP 624 Ca -0.08 0.32 0.14 0.00 0.02 0.00 0.00 56.10 56.50 2jkp s TRP 624 Cb -0.03 0.02 -0.18 0.00 -1.15 0.00 0.00 33.47 32.13 2jkp s TRP 624 CO -0.02 -0.07 0.76 -0.44 0.02 0.00 0.00 176.95 177.20 2jkp h ASP 625 N 6.14 0.00 -4.49 2.95 3.32 -0.78 -3.17 116.42 120.39 2jkp h ASP 625 Ca -0.27 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.62 2jkp h ASP 625 Cb 1.19 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.51 2jkp h ASP 625 CO 0.44 0.80 -0.50 -1.61 -1.72 0.00 0.00 179.24 176.65 2jkp s GLU 626 N -2.75 0.37 -0.04 3.56 2.02 -1.21 -1.51 118.70 119.15 2jkp s GLU 626 Ca -0.04 -0.14 0.03 0.00 0.02 0.00 0.00 54.97 54.84 2jkp s GLU 626 Cb 0.08 0.16 0.01 0.00 0.10 0.00 0.00 34.13 34.48 2jkp s GLU 626 CO 0.82 -0.08 -0.10 0.99 0.02 0.00 0.00 175.26 176.91 2jkp s THR 627 N -0.78 0.91 -0.24 3.63 2.01 -1.08 -0.37 115.64 119.71 2jkp s THR 627 Ca -0.09 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.50 2jkp s THR 627 Cb -0.05 -0.81 0.03 0.00 0.01 0.00 0.00 72.50 71.68 2jkp s THR 627 CO 0.01 0.28 -0.10 0.21 -0.69 0.00 0.00 174.62 174.33 2jkp s ASN 628 N 0.30 4.08 -0.52 3.53 3.84 0.17 -5.00 114.94 121.33 2jkp s ASN 628 Ca -0.06 -0.94 -0.29 0.00 0.21 0.00 0.00 52.86 51.78 2jkp s ASN 628 Cb -0.11 -1.60 0.03 0.00 -0.55 0.00 0.00 41.25 39.03 2jkp s ASN 628 CO 0.01 -0.11 1.16 -0.31 -2.79 0.00 0.00 177.10 175.06 2jkp s TYR 629 N 1.27 2.72 -0.13 0.43 2.02 -1.26 -1.55 117.35 120.84 2jkp s TYR 629 Ca -0.01 0.58 -0.16 0.00 -0.37 0.00 0.00 57.07 57.12 2jkp s TYR 629 Cb -0.17 -4.48 -0.13 0.00 -0.40 0.00 0.00 41.96 36.78 2jkp s TYR 629 CO -0.07 -1.42 0.33 -0.07 -1.57 0.00 0.00 175.55 172.76 2jkp h LEU 630 N 11.54 0.00 -8.17 -1.29 3.38 -0.88 -3.47 115.31 116.43 2jkp h LEU 630 Ca -0.24 -0.48 -0.26 0.00 0.09 0.00 0.00 57.88 56.99 2jkp h LEU 630 Cb 1.06 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.60 2jkp h LEU 630 CO 1.16 0.85 -0.73 -1.61 0.09 0.00 0.00 178.44 178.19 2jkp s GLU 631 N -1.99 0.53 -0.26 1.13 2.02 -0.88 -4.97 118.70 114.29 2jkp s GLU 631 Ca -0.13 -0.79 -0.16 0.00 0.02 0.00 0.00 54.97 53.92 2jkp s GLU 631 Cb -0.00 -0.24 0.07 0.00 0.10 0.00 0.00 34.13 34.07 2jkp s GLU 631 CO 0.38 0.03 0.64 0.00 0.02 0.00 0.00 175.26 176.33 2jkp s ALA 632 N -1.58 -1.72 -0.18 5.21 0.00 -1.26 0.44 121.76 122.67 2jkp s ALA 632 Ca -0.09 2.21 -0.06 0.00 0.00 0.00 0.00 51.96 54.03 2jkp s ALA 632 Cb -0.09 -1.30 0.09 0.00 0.00 0.00 0.00 23.12 21.82 2jkp s ALA 632 CO -0.00 -0.35 0.36 -2.00 0.00 0.00 0.00 175.76 173.77 2jkp s GLU 633 N 1.41 0.27 0.32 0.00 2.56 0.16 -4.57 118.70 118.86 2jkp s GLU 633 Ca -0.08 0.86 -0.29 0.00 0.00 0.00 0.00 54.97 55.46 2jkp s GLU 633 Cb -0.05 0.08 -0.11 0.00 2.00 0.00 0.00 34.13 36.04 2jkp s GLU 633 CO -0.16 -0.32 1.51 -1.25 -0.56 0.00 0.00 175.26 174.48 2jkp s PRO 634 N 2.54 4.15 0.00 4.30 0.04 -1.26 -0.67 135.00 144.10 2jkp s PRO 634 Ca 0.01 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.57 2jkp s PRO 634 Cb -0.13 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.40 2jkp s PRO 634 CO -0.12 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 176.80 2jkp n GLY 635 N 1.39 2.44 1.01 0.56 0.00 -0.90 -4.80 105.19 104.89 2jkp n GLY 635 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.49 1.61 1.02 0.15 -4.52 120.64 113.42 2jkp n GLU 636 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 2jkp n GLU 636 Cb 0.00 -0.51 -0.04 0.00 -0.02 0.00 0.00 31.44 30.88 2jkp n GLU 636 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 2jkp s TYR 637 N -2.00 -0.52 -0.11 -0.32 -0.85 -0.82 -0.82 117.35 111.91 2jkp s TYR 637 Ca -0.00 0.61 -0.06 0.00 -0.52 0.00 0.00 57.07 57.10 2jkp s TYR 637 Cb 0.00 0.49 0.05 0.00 0.38 0.00 0.00 41.96 42.88 2jkp s TYR 637 CO 0.00 -0.65 0.26 0.42 -1.52 0.00 0.00 175.55 174.06 2jkp s ILE 638 N -2.46 -0.04 -0.06 -3.49 1.01 -0.71 0.41 121.20 115.86 2jkp s ILE 638 Ca -0.03 0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.78 2jkp s ILE 638 Cb -0.01 -0.40 0.02 0.00 0.01 0.00 0.00 42.46 42.08 2jkp s ILE 638 CO -0.03 0.05 -0.10 -0.89 0.00 0.00 0.00 174.94 173.98 2jkp s THR 639 N 1.20 0.94 -0.02 2.92 2.01 0.17 -1.28 115.64 121.59 2jkp s THR 639 Ca -0.09 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 61.55 2jkp s THR 639 Cb -0.10 -0.88 0.02 0.00 0.01 0.00 0.00 72.50 71.55 2jkp s THR 639 CO -0.08 0.31 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.53 2jkp s ILE 640 N 0.73 0.13 -0.11 1.82 1.01 -0.66 -0.12 121.20 124.01 2jkp s ILE 640 Ca -0.14 0.03 -0.00 0.00 0.00 0.00 0.00 60.65 60.54 2jkp s ILE 640 Cb -0.15 -0.19 -0.02 0.00 0.01 0.00 0.00 42.46 42.11 2jkp s ILE 640 CO 0.03 0.09 -0.11 0.00 0.00 0.00 0.00 174.94 174.95 2jkp s ALA 641 N 0.57 2.75 -0.01 9.38 0.00 -0.59 -1.37 121.76 132.49 2jkp s ALA 641 Ca -0.05 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.05 2jkp s ALA 641 Cb -0.08 -1.24 -0.01 0.00 0.00 0.00 0.00 23.12 21.79 2jkp s ALA 641 CO -0.01 0.34 -0.11 1.03 0.00 0.00 0.00 175.76 177.01 2jkp s ARG 642 N 0.00 0.97 -0.30 0.00 0.52 -0.47 0.41 118.95 120.08 2jkp s ARG 642 Ca -0.03 -0.40 -0.16 0.00 -0.52 0.00 0.00 55.73 54.62 2jkp s ARG 642 Cb -0.14 -0.92 -0.02 0.00 0.52 0.00 0.00 34.95 34.38 2jkp s ARG 642 CO 0.04 0.23 0.41 0.21 0.02 0.00 0.00 175.30 176.20 2jkp s LYS 643 N -0.19 3.83 0.22 3.54 2.20 0.50 -1.22 119.74 128.61 2jkp s LYS 643 Ca 0.03 -0.09 -0.31 0.00 -0.36 0.00 0.00 55.97 55.24 2jkp s LYS 643 Cb -0.05 -3.72 -0.11 0.00 -1.51 0.00 0.00 37.83 32.43 2jkp s LYS 643 CO -0.00 -0.41 1.65 0.00 -0.36 0.00 0.00 175.35 176.22 2jkp s ALA 644 N 2.14 3.85 0.05 3.13 0.00 -0.37 -0.16 121.76 130.41 2jkp s ALA 644 Ca 0.15 1.53 -0.37 0.00 0.00 0.00 0.00 51.96 53.27 2jkp s ALA 644 Cb -0.16 -3.66 -0.17 0.00 0.00 0.00 0.00 23.12 19.13 2jkp s ALA 644 CO 0.11 -0.90 1.38 1.17 0.00 0.00 0.00 175.76 177.52 2jkp n LYS 645 N 3.53 1.16 -2.22 0.00 4.81 -0.62 -1.59 118.16 123.22 2jkp n LYS 645 Ca 0.13 0.42 -0.19 0.00 -0.87 0.00 0.00 58.31 57.80 2jkp n LYS 645 Cb 0.37 -2.07 -0.02 0.00 0.02 0.00 0.00 35.03 33.33 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 2.81 -5.53 -3.93 3.14 8.00 -1.26 -4.93 116.55 114.84 2jkp n ASP 646 Ca 0.19 0.07 -0.18 0.00 0.71 0.00 0.00 54.79 55.59 2jkp n ASP 646 Cb 0.19 -4.60 -0.09 0.00 -0.02 0.00 0.00 41.12 36.59 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 -2.92 0.23 -0.34 -3.53 -4.23 -0.62 -5.04 115.64 99.20 2jkp s THR 647 Ca 0.00 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 2jkp s THR 647 Cb 0.00 -2.51 0.48 0.00 1.34 0.00 0.00 72.50 71.81 2jkp s THR 647 CO 0.00 0.00 1.43 -0.67 -0.54 0.00 0.00 174.62 174.84 2jkp n ASP 648 N -0.92 3.84 -4.81 3.99 2.03 -1.26 -4.73 116.55 114.69 2jkp n ASP 648 Ca 0.02 -3.79 -0.38 0.00 0.52 0.00 0.00 54.79 51.16 2jkp n ASP 648 Cb 0.65 -0.58 -0.06 0.00 -0.72 0.00 0.00 41.12 40.40 2jkp n ASP 648 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2jkp s ASP 649 N -2.84 7.10 0.14 1.67 1.01 -1.26 -4.05 116.67 118.44 2jkp s ASP 649 Ca 0.49 1.33 0.09 0.00 0.71 0.00 0.00 52.55 55.17 2jkp s ASP 649 Cb 0.42 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 41.92 2jkp s ASP 649 CO 0.00 0.21 -0.21 0.26 0.21 0.00 0.00 175.17 175.65 2jkp s TRP 650 N -1.21 1.92 -0.05 4.23 0.52 0.44 -1.24 118.94 123.56 2jkp s TRP 650 Ca 0.33 -0.43 0.01 0.00 0.02 0.00 0.00 56.10 56.04 2jkp s TRP 650 Cb -0.19 -1.00 0.02 0.00 -1.15 0.00 0.00 33.47 31.15 2jkp s TRP 650 CO 0.21 0.31 -0.06 0.71 0.02 0.00 0.00 176.95 178.13 2jkp s TYR 651 N -1.56 0.87 0.07 -1.98 2.02 -0.36 -0.67 117.35 115.74 2jkp s TYR 651 Ca 0.13 -0.26 0.08 0.00 -0.37 0.00 0.00 57.07 56.64 2jkp s TYR 651 Cb -0.08 -0.73 -0.03 0.00 -0.40 0.00 0.00 41.96 40.71 2jkp s TYR 651 CO 0.06 -0.20 -0.18 0.08 -1.57 0.00 0.00 175.55 173.74 2jkp s VAL 652 N 0.86 2.84 -0.02 0.71 1.01 0.19 -1.37 120.40 124.61 2jkp s VAL 652 Ca -0.12 -1.28 -0.05 0.00 0.00 0.00 0.00 61.98 60.53 2jkp s VAL 652 Cb -0.15 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.01 2jkp s VAL 652 CO 0.01 0.26 0.11 -0.83 0.00 0.00 0.00 175.10 174.64 2jkp s GLY 653 N -1.69 -0.00 -0.05 4.51 0.00 -0.47 -1.13 107.32 108.49 2jkp s GLY 653 Ca 0.16 0.07 0.01 0.00 0.00 0.00 0.00 44.72 44.96 2jkp s GLY 653 CO 0.07 -0.01 -0.06 0.00 0.00 0.00 0.00 173.10 173.10 2jkp s THR 655 N 0.83 1.26 0.06 0.00 -1.32 -0.40 -2.17 115.64 113.90 2jkp s THR 655 Ca -0.12 -0.78 0.01 0.00 -1.21 0.00 0.00 61.69 59.58 2jkp s THR 655 Cb -0.15 -1.07 -0.04 0.00 -1.51 0.00 0.00 72.50 69.74 2jkp s THR 655 CO 0.01 0.27 -0.05 0.00 -2.21 0.00 0.00 174.62 172.64 2jkp s ALA 656 N -0.50 0.65 0.39 11.08 0.00 -0.81 -1.75 121.76 130.82 2jkp s ALA 656 Ca 0.05 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.88 2jkp s ALA 656 Cb -0.07 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.24 2jkp s ALA 656 CO -0.00 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.92 2jkp n GLY 657 N 0.39 1.31 0.18 0.00 0.00 0.00 -3.92 105.19 103.16 2jkp n GLY 657 Ca -0.16 -1.61 0.04 0.00 0.00 0.00 0.00 46.02 44.30 2jkp n GLY 657 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jkp h GLU 658 N 0.00 0.00 -0.21 1.61 5.08 -1.87 -0.29 114.58 118.90 2jkp h GLU 658 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jkp h GLU 658 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2jkp h GLU 658 CO 0.00 0.41 0.00 0.09 -1.00 0.00 0.00 179.01 178.51 2jkp n ASN 659 N -3.73 2.05 -0.37 1.42 3.02 -1.26 -4.55 115.26 111.84 2jkp n ASN 659 Ca -0.01 -1.78 0.00 0.00 -0.03 0.00 0.00 54.58 52.76 2jkp n ASN 659 Cb 0.49 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 2jkp n ASN 659 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jkp n GLY 660 N 1.21 -0.37 3.60 7.41 0.00 -1.01 -4.76 105.19 111.27 2jkp n GLY 660 Ca 0.17 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.52 -0.19 1.61 2.46 0.52 -4.60 115.29 114.57 2jkp s HIS 661 Ca 0.00 1.11 -0.07 0.00 0.47 0.00 0.00 55.06 56.58 2jkp s HIS 661 Cb 0.00 0.38 -0.04 0.00 -0.13 0.00 0.00 32.58 32.80 2jkp s HIS 661 CO 0.00 -0.35 0.04 0.95 -2.47 0.00 0.00 174.74 172.91 2jkp s THR 662 N -0.39 4.50 -0.17 0.89 -4.23 -1.26 -0.27 115.64 114.71 2jkp s THR 662 Ca -0.01 -0.13 -0.06 0.00 -1.18 0.00 0.00 61.69 60.31 2jkp s THR 662 Cb -0.03 -3.03 -0.04 0.00 1.34 0.00 0.00 72.50 70.74 2jkp s THR 662 CO 0.00 0.44 0.03 -0.44 -0.54 0.00 0.00 174.62 174.10 2jkp s SER 663 N 0.66 5.33 -0.75 3.99 0.01 0.14 -4.97 113.70 118.12 2jkp s SER 663 Ca 0.02 0.01 -0.06 0.00 1.31 0.00 0.00 55.95 57.24 2jkp s SER 663 Cb -0.13 -1.89 0.19 0.00 0.21 0.00 0.00 66.02 64.40 2jkp s SER 663 CO 0.02 0.18 0.61 -0.54 0.41 0.00 0.00 173.24 173.92 2jkp s LYS 664 N 0.32 3.02 0.05 12.44 1.02 -1.26 -1.41 119.74 133.91 2jkp s LYS 664 Ca 0.01 -2.69 -0.26 0.00 0.02 0.00 0.00 55.97 53.04 2jkp s LYS 664 Cb -0.13 -3.98 -0.05 0.00 -0.52 0.00 0.00 37.83 33.15 2jkp s LYS 664 CO 0.01 -1.22 0.81 -0.51 -0.92 0.00 0.00 175.35 173.52 2jkp s LEU 665 N -0.32 4.45 -0.09 3.17 1.43 0.17 -4.92 118.68 122.58 2jkp s LEU 665 Ca 0.20 1.51 0.01 0.00 -1.03 0.00 0.00 54.13 54.82 2jkp s LEU 665 Cb -0.15 -3.31 -0.02 0.00 0.03 0.00 0.00 46.19 42.74 2jkp s LEU 665 CO -0.06 -0.02 -0.11 -0.69 0.23 0.00 0.00 176.35 175.70 2jkp s VAL 666 N 0.04 3.34 -0.62 -1.59 1.01 -1.26 -1.64 120.40 119.68 2jkp s VAL 666 Ca 0.41 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.81 2jkp s VAL 666 Cb -0.21 -2.37 0.39 0.00 0.00 0.00 0.00 36.38 34.19 2jkp s VAL 666 CO 0.24 0.57 1.52 0.49 0.00 0.00 0.00 175.10 177.92 2jkp n PHE 667 N 2.72 3.22 -0.85 5.22 3.72 -1.17 -4.69 117.46 125.63 2jkp n PHE 667 Ca -0.18 -2.76 0.08 0.00 -0.05 0.00 0.00 57.45 54.54 2jkp n PHE 667 Cb 0.53 -0.58 0.37 0.00 -0.94 0.00 0.00 39.48 38.86 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 -0.51 5.23 -0.04 4.37 5.75 -1.25 -2.90 116.55 127.20 2jkp n ASP 668 Ca 0.46 -2.83 0.13 0.00 -0.01 0.00 0.00 54.79 52.54 2jkp n ASP 668 Cb 0.47 -0.64 0.48 0.00 -1.03 0.00 0.00 41.12 40.40 2jkp n ASP 668 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 2jkp n PHE 669 N 0.55 0.00 -2.24 2.11 1.16 -1.26 -4.88 117.46 112.90 2jkp n PHE 669 Ca 0.26 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.52 2jkp n PHE 669 Cb 1.08 -0.30 -0.01 0.00 -1.61 0.00 0.00 39.48 38.63 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 -2.82 3.59 -0.18 5.98 1.43 -1.14 -5.01 118.68 120.52 2jkp s LEU 670 Ca 0.18 1.74 -0.28 0.00 -1.03 0.00 0.00 54.13 54.73 2jkp s LEU 670 Cb 0.19 -4.53 -0.00 0.00 0.03 0.00 0.00 46.19 41.88 2jkp s LEU 670 CO 0.57 -0.90 0.99 -0.89 0.23 0.00 0.00 176.35 176.36 2jkp s THR 671 N -2.46 4.75 0.29 5.49 2.01 -1.26 -4.66 115.64 119.80 2jkp s THR 671 Ca 0.62 1.96 -0.28 0.00 0.31 0.00 0.00 61.69 64.30 2jkp s THR 671 Cb -0.14 -4.28 -0.14 0.00 0.01 0.00 0.00 72.50 67.96 2jkp s THR 671 CO 0.32 -0.09 1.08 -2.65 -0.69 0.00 0.00 174.62 172.60 2jkp n PRO 672 N 5.73 1.51 0.00 4.92 -0.02 -1.26 -1.60 135.00 144.28 2jkp n PRO 672 Ca 0.10 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2jkp n PRO 672 Cb 0.47 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 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 1.19 2.87 3.92 -1.23 0.00 -1.26 -5.01 105.19 105.68 2jkp n GLY 673 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.11 3.48 0.08 1.61 1.02 -0.63 -5.10 119.74 120.10 2jkp s LYS 674 Ca 0.00 -0.03 0.07 0.00 0.02 0.00 0.00 55.97 56.03 2jkp s LYS 674 Cb 0.00 -2.48 -0.04 0.00 -0.52 0.00 0.00 37.83 34.79 2jkp s LYS 674 CO 0.00 -0.10 -0.14 -0.65 -0.92 0.00 0.00 175.35 173.54 2jkp s GLN 675 N -4.59 2.06 -0.01 1.68 -0.21 -1.26 -4.70 119.66 112.62 2jkp s GLN 675 Ca 0.45 -1.03 0.03 0.00 0.02 0.00 0.00 55.36 54.83 2jkp s GLN 675 Cb -0.10 -2.24 -0.01 0.00 1.00 0.00 0.00 33.01 31.66 2jkp s GLN 675 CO 0.41 0.52 -0.10 0.71 -2.12 0.00 0.00 175.29 174.71 2jkp s TYR 676 N -1.11 0.87 -0.32 0.91 2.02 -0.57 -1.01 117.35 118.14 2jkp s TYR 676 Ca 0.18 -0.17 -0.24 0.00 -0.37 0.00 0.00 57.07 56.47 2jkp s TYR 676 Cb -0.11 -0.56 0.01 0.00 -0.40 0.00 0.00 41.96 40.90 2jkp s TYR 676 CO 0.10 -0.02 0.84 0.42 -1.57 0.00 0.00 175.55 175.32 2jkp s ILE 677 N -0.20 4.73 -0.13 2.71 1.01 0.55 -0.63 121.20 129.23 2jkp s ILE 677 Ca 0.03 1.22 -0.00 0.00 0.00 0.00 0.00 60.65 61.90 2jkp s ILE 677 Cb -0.04 -4.21 -0.01 0.00 0.01 0.00 0.00 42.46 38.21 2jkp s ILE 677 CO -0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 174.94 174.48 2jkp s ALA 678 N 3.11 2.63 -0.22 9.38 0.00 0.12 -1.08 121.76 135.70 2jkp s ALA 678 Ca 0.34 -0.90 -0.00 0.00 0.00 0.00 0.00 51.96 51.40 2jkp s ALA 678 Cb -0.14 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 21.77 2jkp s ALA 678 CO 0.14 0.22 -0.12 0.99 0.00 0.00 0.00 175.76 176.99 2jkp s THR 679 N 0.39 2.54 -0.30 0.00 2.01 0.15 -1.18 115.64 119.25 2jkp s THR 679 Ca -0.10 -1.01 -0.12 0.00 0.31 0.00 0.00 61.69 60.77 2jkp s THR 679 Cb -0.16 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 2jkp s THR 679 CO 0.05 0.32 0.22 -0.69 -0.69 0.00 0.00 174.62 173.84 2jkp s VAL 680 N 1.30 5.29 -0.37 3.82 1.01 0.26 -1.78 120.40 129.93 2jkp s VAL 680 Ca 0.01 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 2jkp s VAL 680 Cb -0.15 -3.61 0.05 0.00 0.00 0.00 0.00 36.38 32.66 2jkp s VAL 680 CO -0.08 0.14 0.18 -0.31 0.00 0.00 0.00 175.10 175.03 2jkp s TYR 681 N 1.78 3.29 0.27 5.22 2.02 0.37 -1.63 117.35 128.68 2jkp s TYR 681 Ca 0.07 -1.43 0.06 0.00 -0.37 0.00 0.00 57.07 55.40 2jkp s TYR 681 Cb -0.16 -2.56 -0.06 0.00 -0.40 0.00 0.00 41.96 38.77 2jkp s TYR 681 CO 0.11 -0.77 -0.03 0.00 -1.57 0.00 0.00 175.55 173.29 2jkp s ALA 682 N 1.42 2.20 0.21 3.71 0.00 -0.72 -1.57 121.76 127.02 2jkp s ALA 682 Ca 0.01 -1.88 -0.30 0.00 0.00 0.00 0.00 51.96 49.79 2jkp s ALA 682 Cb -0.21 0.30 -0.09 0.00 0.00 0.00 0.00 23.12 23.13 2jkp s ALA 682 CO 0.03 -0.14 1.29 -0.51 0.00 0.00 0.00 175.76 176.43 2jkp s ASP 683 N -3.41 6.93 0.86 0.00 1.01 -1.23 -1.40 116.67 119.42 2jkp s ASP 683 Ca 0.30 2.40 -0.15 0.00 0.71 0.00 0.00 52.55 55.81 2jkp s ASP 683 Cb 0.05 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 2jkp s ASP 683 CO 0.11 -0.49 0.34 0.00 0.21 0.00 0.00 175.17 175.34 2jkp n ALA 684 N 2.39 -2.44 0.39 5.23 0.00 -0.55 -4.67 120.51 120.86 2jkp n ALA 684 Ca 0.05 -0.46 0.13 0.00 0.00 0.00 0.00 53.44 53.16 2jkp n ALA 684 Cb 0.43 -1.75 0.52 0.00 0.00 0.00 0.00 19.45 18.64 2jkp n ALA 684 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2jkp h LYS 685 N -1.02 0.00 -0.32 0.00 -0.00 -1.95 -1.60 116.57 111.69 2jkp h LYS 685 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.21 2jkp h LYS 685 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.54 2jkp h LYS 685 CO 0.37 0.00 0.00 -0.40 -0.00 0.00 0.00 179.45 179.42 2jkp n ASP 686 N -2.49 2.62 -4.74 7.07 5.75 -1.26 -5.00 116.55 118.50 2jkp n ASP 686 Ca 0.02 -1.88 -0.32 0.00 -0.01 0.00 0.00 54.79 52.60 2jkp n ASP 686 Cb 0.29 -0.20 0.09 0.00 -1.03 0.00 0.00 41.12 40.26 2jkp n ASP 686 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jkp s ALA 687 N -1.59 2.16 -0.28 2.12 0.00 -0.60 -4.71 121.76 118.85 2jkp s ALA 687 Ca 0.35 0.51 -0.23 0.00 0.00 0.00 0.00 51.96 52.60 2jkp s ALA 687 Cb 0.20 -3.35 0.12 0.00 0.00 0.00 0.00 23.12 20.09 2jkp s ALA 687 CO 0.28 -1.82 0.99 0.34 0.00 0.00 0.00 175.76 175.56 2jkp s ASP 688 N -2.79 -0.50 0.24 0.00 2.15 0.13 -4.65 116.67 111.26 2jkp s ASP 688 Ca 0.66 0.91 -0.04 0.00 0.43 0.00 0.00 52.55 54.50 2jkp s ASP 688 Cb -0.21 1.00 0.39 0.00 -0.30 0.00 0.00 42.92 43.80 2jkp s ASP 688 CO 0.50 -0.15 1.82 4.11 -0.17 0.00 0.00 175.17 181.28 2jkp h TRP 689 N 4.77 0.88 0.00 -5.34 5.08 -1.66 0.44 115.95 120.12 2jkp h TRP 689 Ca -0.28 0.03 -0.07 0.00 1.08 0.00 0.00 58.89 59.65 2jkp h TRP 689 Cb 1.18 -0.27 -0.01 0.00 -3.00 0.00 0.00 29.16 27.06 2jkp h TRP 689 CO 0.26 0.37 -0.52 -0.22 -1.28 0.00 0.00 178.44 177.06 2jkp h LYS 690 N 0.82 0.00 0.00 0.12 3.64 -1.87 -3.37 116.57 115.91 2jkp h LYS 690 Ca 0.40 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.70 2jkp h LYS 690 Cb 0.34 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2jkp h LYS 690 CO -0.24 0.45 -1.12 0.93 -2.27 0.00 0.00 179.45 177.21 2jkp h GLU 691 N -1.00 0.00 -0.64 1.90 4.39 -1.97 -3.42 114.58 113.84 2jkp h GLU 691 Ca -0.10 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.30 2jkp h GLU 691 Cb 0.71 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.15 2jkp h GLU 691 CO -0.06 0.16 -0.65 -1.71 -1.16 0.00 0.00 179.01 175.59 2jkp n ASN 692 N -2.82 -2.18 0.11 1.42 5.15 -0.44 -4.93 115.26 111.56 2jkp n ASN 692 Ca -0.04 -3.10 0.05 0.00 -0.60 0.00 0.00 54.58 50.90 2jkp n ASN 692 Cb 0.69 1.18 0.00 0.00 -0.53 0.00 0.00 39.78 41.13 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 4.16 0.00 -0.59 1.20 0.13 -1.13 0.37 132.00 136.15 2jkp h PRO 693 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2jkp h PRO 693 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2jkp h PRO 693 CO 0.33 0.24 0.00 1.04 -0.23 0.00 0.00 178.00 179.38 2jkp n GLN 694 N -2.97 2.63 -3.35 0.86 6.02 -1.26 -1.12 117.38 118.19 2jkp n GLN 694 Ca -0.02 -1.71 -0.42 0.00 -0.01 0.00 0.00 57.00 54.85 2jkp n GLN 694 Cb 0.70 -1.63 -0.09 0.00 1.02 0.00 0.00 30.24 30.23 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 -1.71 3.46 0.18 -1.58 0.00 -1.25 -4.95 121.76 115.90 2jkp s ALA 695 Ca 0.31 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.94 2jkp s ALA 695 Cb 0.20 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.33 2jkp s ALA 695 CO 0.15 -1.32 0.06 1.52 0.00 0.00 0.00 175.76 176.17 2jkp s TYR 696 N 2.11 1.12 0.17 0.00 -0.85 -1.26 -1.48 117.35 117.16 2jkp s TYR 696 Ca 0.12 -1.20 0.10 0.00 -0.52 0.00 0.00 57.07 55.58 2jkp s TYR 696 Cb -0.17 -0.62 -0.04 0.00 0.38 0.00 0.00 41.96 41.51 2jkp s TYR 696 CO 0.13 -0.43 -0.18 0.95 -1.52 0.00 0.00 175.55 174.49 2jkp s THR 697 N -3.92 2.70 -0.13 -3.49 -4.23 -0.49 -4.62 115.64 101.47 2jkp s THR 697 Ca 0.29 -1.81 0.01 0.00 -1.18 0.00 0.00 61.69 59.01 2jkp s THR 697 Cb 0.07 -2.30 0.02 0.00 1.34 0.00 0.00 72.50 71.63 2jkp s THR 697 CO 0.06 -0.07 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.29 2jkp s ILE 698 N -1.56 1.60 -0.05 2.99 1.01 -1.26 -1.75 121.20 122.18 2jkp s ILE 698 Ca 0.21 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 60.21 2jkp s ILE 698 Cb -0.09 -1.47 0.00 0.00 0.01 0.00 0.00 42.46 40.92 2jkp s ILE 698 CO 0.11 0.46 -0.16 -0.54 0.00 0.00 0.00 174.94 174.82 2jkp s LYS 699 N 1.13 1.73 -0.14 2.79 1.02 -0.64 -4.98 119.74 120.65 2jkp s LYS 699 Ca -0.03 -0.55 0.02 0.00 0.02 0.00 0.00 55.97 55.43 2jkp s LYS 699 Cb -0.14 -1.48 0.01 0.00 -0.52 0.00 0.00 37.83 35.70 2jkp s LYS 699 CO -0.05 0.18 -0.20 0.21 -0.92 0.00 0.00 175.35 174.58 2jkp s LYS 700 N 0.20 2.83 0.08 1.68 2.20 -1.26 -0.57 119.74 124.90 2jkp s LYS 700 Ca -0.07 -0.78 -0.02 0.00 -0.36 0.00 0.00 55.97 54.75 2jkp s LYS 700 Cb -0.12 -2.35 0.01 0.00 -1.51 0.00 0.00 37.83 33.86 2jkp s LYS 700 CO 0.03 -0.08 0.14 0.41 -0.36 0.00 0.00 175.35 175.49 2jkp n GLY 701 N 4.25 2.32 3.81 5.54 0.00 -0.33 -5.00 105.19 115.78 2jkp n GLY 701 Ca -0.20 -1.24 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.67 5.33 0.19 -0.61 1.01 -1.26 -0.70 121.20 122.49 2jkp s ILE 702 Ca 0.05 0.15 0.09 0.00 0.00 0.00 0.00 60.65 60.94 2jkp s ILE 702 Cb -0.01 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 2jkp s ILE 702 CO 0.04 0.57 -0.18 -0.76 0.00 0.00 0.00 174.94 174.60 2jkp s LEU 703 N -0.60 2.48 0.33 2.97 1.43 0.20 -4.90 118.68 120.59 2jkp s LEU 703 Ca 0.12 -0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 52.31 2jkp s LEU 703 Cb -0.12 -0.87 -0.01 0.00 0.03 0.00 0.00 46.19 45.23 2jkp s LEU 703 CO 0.02 -0.03 0.42 0.42 0.23 0.00 0.00 176.35 177.41 2jkp s THR 704 N -2.23 0.00 -1.93 5.49 -4.23 -1.26 -1.51 115.64 109.97 2jkp s THR 704 Ca 0.19 -1.69 0.18 0.00 -1.18 0.00 0.00 61.69 59.19 2jkp s THR 704 Cb -0.05 -2.59 0.49 0.00 1.34 0.00 0.00 72.50 71.69 2jkp s THR 704 CO 0.08 0.00 1.49 -0.46 -0.54 0.00 0.00 174.62 175.19 2jkp n ASN 705 N -1.36 0.00 0.00 3.99 6.94 -1.24 -0.77 115.26 122.82 2jkp n ASN 705 Ca 0.02 -0.50 0.11 0.00 -0.02 0.00 0.00 54.58 54.19 2jkp n ASN 705 Cb 0.62 -0.03 -0.04 0.00 -2.36 0.00 0.00 39.78 37.97 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 -1.03 0.12 -1.46 -3.83 5.02 -1.26 -3.90 118.16 111.81 2jkp n LYS 706 Ca 0.13 -0.02 -0.33 0.00 -2.02 0.00 0.00 58.31 56.07 2jkp n LYS 706 Cb 0.07 -1.52 0.08 0.00 -0.02 0.00 0.00 35.03 33.64 2jkp n LYS 706 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2jkp s SER 707 N -3.32 4.53 0.04 4.39 0.01 0.05 -4.93 113.70 114.46 2jkp s SER 707 Ca 0.06 2.07 0.03 0.00 1.31 0.00 0.00 55.95 59.42 2jkp s SER 707 Cb 0.16 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.81 2jkp s SER 707 CO 0.83 -2.03 -0.10 -0.54 0.41 0.00 0.00 173.24 171.82 2jkp s LYS 708 N -4.27 0.66 -0.03 12.44 1.02 -1.26 -3.04 119.74 125.25 2jkp s LYS 708 Ca 0.68 -0.69 -0.01 0.00 0.02 0.00 0.00 55.97 55.96 2jkp s LYS 708 Cb -0.22 -0.56 0.03 0.00 -0.52 0.00 0.00 37.83 36.56 2jkp s LYS 708 CO 0.47 0.13 0.07 -0.51 -0.92 0.00 0.00 175.35 174.58 2jkp s LEU 709 N -1.25 0.95 -0.23 3.17 1.43 -0.65 -4.99 118.68 117.11 2jkp s LEU 709 Ca -0.04 0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.06 2jkp s LEU 709 Cb -0.08 0.06 -0.05 0.00 0.03 0.00 0.00 46.19 46.15 2jkp s LEU 709 CO 0.01 -0.14 0.22 0.20 0.23 0.00 0.00 176.35 176.87 2jkp s ASN 710 N 1.12 6.19 0.03 2.29 0.01 -1.26 0.45 114.94 123.78 2jkp s ASN 710 Ca -0.09 0.21 0.00 0.00 -0.71 0.00 0.00 52.86 52.27 2jkp s ASN 710 Cb -0.13 -2.14 -0.02 0.00 0.41 0.00 0.00 41.25 39.37 2jkp s ASN 710 CO -0.04 0.03 -0.04 -0.76 -1.51 0.00 0.00 177.10 174.78 2jkp s LEU 711 N 1.13 2.29 -0.13 0.60 1.43 -0.50 -4.99 118.68 118.51 2jkp s LEU 711 Ca 0.10 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 2jkp s LEU 711 Cb -0.14 0.06 0.02 0.00 0.03 0.00 0.00 46.19 46.17 2jkp s LEU 711 CO 0.05 -0.34 -0.11 -2.28 0.23 0.00 0.00 176.35 173.90 2jkp s HIS 712 N -1.91 1.88 -0.16 0.29 2.46 -1.26 0.29 115.29 116.87 2jkp s HIS 712 Ca -0.10 -1.01 -0.23 0.00 0.47 0.00 0.00 55.06 54.18 2jkp s HIS 712 Cb -0.07 -1.44 -0.02 0.00 -0.13 0.00 0.00 32.58 30.92 2jkp s HIS 712 CO -0.02 -0.60 0.74 0.00 -2.47 0.00 0.00 174.74 172.38 2jkp s ALA 713 N 1.56 3.49 1.15 1.58 0.00 0.63 -4.50 121.76 125.69 2jkp s ALA 713 Ca 0.05 -0.06 -0.16 0.00 0.00 0.00 0.00 51.96 51.79 2jkp s ALA 713 Cb -0.13 -3.09 0.26 0.00 0.00 0.00 0.00 23.12 20.16 2jkp s ALA 713 CO -0.09 -0.52 1.07 0.00 0.00 0.00 0.00 175.76 176.22 2jkp s ALA 714 N 1.83 0.39 -0.26 0.00 0.00 -1.26 -0.35 121.76 122.10 2jkp s ALA 714 Ca 0.35 -0.62 -0.36 0.00 0.00 0.00 0.00 51.96 51.33 2jkp s ALA 714 Cb -0.16 -3.02 -0.12 0.00 0.00 0.00 0.00 23.12 19.81 2jkp s ALA 714 CO 0.13 -3.49 1.99 -1.71 0.00 0.00 0.00 175.76 172.67 2jkp n ASN 715 N -4.69 2.57 -2.50 0.00 5.15 -1.26 -0.32 115.26 114.21 2jkp n ASN 715 Ca 0.08 0.73 -0.20 0.00 -0.60 0.00 0.00 54.58 54.60 2jkp n ASN 715 Cb 0.58 -1.26 0.01 0.00 -0.53 0.00 0.00 39.78 38.58 2jkp n ASN 715 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jkp n GLY 716 N 5.34 -0.44 0.00 8.20 0.00 -0.15 -2.10 105.19 116.04 2jkp n GLY 716 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.22 6.56 0.00 -0.02 0.00 0.56 -1.81 105.19 109.26 2jkp n GLY 717 Ca -0.18 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.75 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 4.95 -0.74 3.40 -0.02 0.00 -1.26 -1.93 105.19 109.59 2jkp n GLY 718 Ca 0.00 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.21 0.03 1.61 -0.85 -0.92 -3.58 117.35 110.42 2jkp s TYR 719 Ca 0.00 -0.10 0.02 0.00 -0.52 0.00 0.00 57.07 56.47 2jkp s TYR 719 Cb 0.00 0.34 -0.02 0.00 0.38 0.00 0.00 41.96 42.66 2jkp s TYR 719 CO 0.00 -0.79 -0.06 0.00 -1.52 0.00 0.00 175.55 173.17 2jkp s ALA 720 N -3.82 0.47 -0.03 9.51 0.00 -0.61 -0.81 121.76 126.47 2jkp s ALA 720 Ca 0.05 -0.59 -0.00 0.00 0.00 0.00 0.00 51.96 51.42 2jkp s ALA 720 Cb 0.01 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.17 2jkp s ALA 720 CO -0.09 -0.00 0.02 0.42 0.00 0.00 0.00 175.76 176.11 2jkp s ILE 721 N -1.03 0.07 -0.10 0.00 1.01 -0.28 -0.48 121.20 120.39 2jkp s ILE 721 Ca -0.07 0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.64 2jkp s ILE 721 Cb -0.08 -0.20 -0.05 0.00 0.01 0.00 0.00 42.46 42.15 2jkp s ILE 721 CO 0.00 0.13 0.25 -0.94 0.00 0.00 0.00 174.94 174.38 2jkp s SER 722 N 1.20 6.51 -0.35 3.58 1.04 -0.74 -0.64 113.70 124.30 2jkp s SER 722 Ca -0.07 0.60 -0.00 0.00 0.48 0.00 0.00 55.95 56.96 2jkp s SER 722 Cb -0.13 -2.15 0.12 0.00 0.10 0.00 0.00 66.02 63.96 2jkp s SER 722 CO -0.02 0.30 0.16 -0.63 0.98 0.00 0.00 173.24 174.03 2jkp s ILE 723 N -0.62 0.77 -0.21 -1.02 1.01 0.15 -0.67 121.20 120.61 2jkp s ILE 723 Ca 0.17 -1.68 -0.07 0.00 0.00 0.00 0.00 60.65 59.07 2jkp s ILE 723 Cb -0.13 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 2jkp s ILE 723 CO 0.06 -0.80 0.07 -0.54 0.00 0.00 0.00 174.94 173.73 2jkp s LYS 724 N 1.25 3.84 0.34 2.79 1.02 -0.24 -0.42 119.74 128.32 2jkp s LYS 724 Ca 0.13 -0.40 -0.29 0.00 0.02 0.00 0.00 55.97 55.43 2jkp s LYS 724 Cb -0.20 -3.26 -0.12 0.00 -0.52 0.00 0.00 37.83 33.74 2jkp s LYS 724 CO -0.15 0.08 1.44 -1.91 -0.92 0.00 0.00 175.35 173.89 2jkp n GLU 725 N 4.11 2.48 0.00 1.68 2.13 -1.26 -0.33 120.64 129.45 2jkp n GLU 725 Ca -0.16 0.87 0.04 0.00 0.66 0.00 0.00 57.16 58.57 2jkp n GLU 725 Cb 0.52 -2.56 0.24 0.00 0.27 0.00 0.00 31.44 29.91 2jkp n GLU 725 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00