#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjp s THR 7 N 0.00 2.98 -0.28 0.00 2.01 -1.26 -5.06 115.64 114.03 3kjp s THR 7 Ca 0.00 -0.70 -0.01 0.00 0.31 0.00 0.00 61.69 61.29 3kjp s THR 7 Cb 0.00 -2.37 0.12 0.00 0.01 0.00 0.00 72.50 70.27 3kjp s THR 7 CO 0.00 0.40 0.26 0.21 -0.69 0.00 0.00 174.62 174.81 3kjp s ASN 8 N 1.41 1.89 0.15 3.53 3.04 -1.26 -5.13 114.94 118.57 3kjp s ASN 8 Ca 0.05 -0.75 -0.30 0.00 0.04 0.00 0.00 52.86 51.89 3kjp s ASN 8 Cb -0.14 0.37 -0.07 0.00 -1.54 0.00 0.00 41.25 39.87 3kjp s ASN 8 CO -0.06 -0.39 1.16 -0.31 -3.04 0.00 0.00 177.10 174.47 3kjp s TYR 9 N 2.32 3.49 -0.19 0.43 2.02 -1.26 -5.03 117.35 119.14 3kjp s TYR 9 Ca 0.09 1.46 -0.05 0.00 -0.37 0.00 0.00 57.07 58.20 3kjp s TYR 9 Cb -0.14 -3.37 -0.03 0.00 -0.40 0.00 0.00 41.96 38.02 3kjp s TYR 9 CO -0.31 -0.99 -0.01 0.42 -1.57 0.00 0.00 175.55 173.09 3kjp s ILE 10 N 0.17 3.95 -0.20 2.71 -1.09 -1.26 -5.09 121.20 120.39 3kjp s ILE 10 Ca 0.53 -0.32 -0.08 0.00 -2.23 0.00 0.00 60.65 58.55 3kjp s ILE 10 Cb -0.30 -2.77 -0.04 0.00 -1.58 0.00 0.00 42.46 37.77 3kjp s ILE 10 CO 0.34 0.45 0.07 -0.31 -1.23 0.00 0.00 174.94 174.26 3kjp s TYR 11 N 0.80 3.24 -0.19 3.97 2.02 -1.26 -4.13 117.35 121.79 3kjp s TYR 11 Ca -0.00 0.04 -0.16 0.00 -0.37 0.00 0.00 57.07 56.58 3kjp s TYR 11 Cb -0.14 -2.12 -0.04 0.00 -0.40 0.00 0.00 41.96 39.26 3kjp s TYR 11 CO 0.02 0.10 0.42 0.99 -1.57 0.00 0.00 175.55 175.51 3kjp s THR 12 N 0.57 5.18 0.51 -0.71 2.01 -0.49 -5.00 115.64 117.70 3kjp s THR 12 Ca 0.04 0.77 -0.22 0.00 0.31 0.00 0.00 61.69 62.58 3kjp s THR 12 Cb -0.13 -3.75 -0.07 0.00 0.01 0.00 0.00 72.50 68.56 3kjp s THR 12 CO 0.01 0.24 1.24 -2.65 -0.69 0.00 0.00 174.62 172.77 3kjp n PRO 13 N 4.46 1.61 0.29 4.92 -0.02 -1.26 -4.74 135.00 140.26 3kjp n PRO 13 Ca -0.08 0.59 0.19 0.00 -2.02 0.00 0.00 63.50 62.18 3kjp n PRO 13 Cb 0.51 -2.41 0.97 0.00 -0.02 0.00 0.00 33.50 32.55 3kjp n PRO 13 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3kjp h LEU 14 N 1.48 0.00 0.00 2.45 3.38 -1.90 -1.76 115.31 118.95 3kjp h LEU 14 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3kjp h LEU 14 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3kjp h LEU 14 CO 0.57 0.00 -0.63 -0.55 0.09 0.00 0.00 178.44 177.92 3kjp h ASN 15 N 0.00 0.00 -0.45 -0.43 -1.07 -1.89 -3.32 115.58 108.42 3kjp h ASN 15 Ca 0.00 -0.13 0.00 0.00 0.07 0.00 0.00 56.30 56.24 3kjp h ASN 15 Cb 0.15 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.40 3kjp h ASN 15 CO 0.00 0.06 0.00 0.00 0.07 0.00 0.00 177.43 177.56 3kjp n GLN 16 N -2.35 3.73 -2.71 4.14 6.02 -0.66 -4.97 117.38 120.58 3kjp n GLN 16 Ca 0.03 -2.32 -0.36 0.00 -0.01 0.00 0.00 57.00 54.34 3kjp n GLN 16 Cb 0.47 -2.00 -0.06 0.00 1.02 0.00 0.00 30.24 29.68 3kjp n GLN 16 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3kjp s LEU 17 N -1.93 4.15 -0.01 1.08 1.43 -1.25 -4.91 118.68 117.24 3kjp s LEU 17 Ca 0.40 1.86 0.02 0.00 -1.03 0.00 0.00 54.13 55.39 3kjp s LEU 17 Cb 0.30 -4.23 -0.00 0.00 0.03 0.00 0.00 46.19 42.28 3kjp s LEU 17 CO 0.14 -0.31 -0.07 -0.54 0.23 0.00 0.00 176.35 175.80 3kjp s LYS 18 N -2.55 0.55 0.63 1.70 -0.14 -1.26 -5.14 119.74 113.54 3kjp s LYS 18 Ca 0.56 -0.24 -0.18 0.00 -1.36 0.00 0.00 55.97 54.76 3kjp s LYS 18 Cb -0.17 -0.53 -0.02 0.00 -1.68 0.00 0.00 37.83 35.43 3kjp s LYS 18 CO 0.22 0.14 1.23 0.20 -0.76 0.00 0.00 175.35 176.38 3kjp s GLY 19 N -0.15 2.69 -0.15 -3.33 0.00 -1.26 -3.48 107.32 101.64 3kjp s GLY 19 Ca 0.02 1.03 0.00 0.00 0.00 0.00 0.00 44.72 45.77 3kjp s GLY 19 CO -0.00 1.43 0.00 0.61 0.00 0.00 0.00 173.10 175.14 3kjp n GLY 20 N 0.55 0.44 3.23 0.20 0.00 0.95 -4.95 105.19 105.62 3kjp n GLY 20 Ca 0.14 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 3kjp n GLY 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kjp s THR 21 N -2.06 1.06 -0.17 2.61 -4.23 -1.21 -4.99 115.64 106.64 3kjp s THR 21 Ca 0.00 -2.02 -0.01 0.00 -1.18 0.00 0.00 61.69 58.49 3kjp s THR 21 Cb 0.00 -1.79 -0.00 0.00 1.34 0.00 0.00 72.50 72.05 3kjp s THR 21 CO 0.00 -0.77 -0.13 -0.63 -0.54 0.00 0.00 174.62 172.55 3kjp s ILE 22 N -3.35 2.81 0.41 2.99 1.01 -1.26 -0.09 121.20 123.71 3kjp s ILE 22 Ca 0.15 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 60.13 3kjp s ILE 22 Cb 0.03 -2.21 -0.02 0.00 0.01 0.00 0.00 42.46 40.27 3kjp s ILE 22 CO -0.01 0.50 0.16 1.33 0.00 0.00 0.00 174.94 176.92 3kjp n VAL 23 N 4.23 0.00 -5.06 2.92 0.24 0.12 -4.89 118.33 115.89 3kjp n VAL 23 Ca -0.19 -2.41 -0.29 0.00 -2.04 0.00 0.00 64.34 59.42 3kjp n VAL 23 Cb 0.51 0.90 -0.16 0.00 -1.47 0.00 0.00 33.84 33.62 3kjp n VAL 23 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3kjp s ASN 24 N -3.51 2.61 0.06 -1.34 0.02 -1.26 -0.78 114.94 110.73 3kjp s ASN 24 Ca 0.23 -0.42 -0.04 0.00 -1.02 0.00 0.00 52.86 51.60 3kjp s ASN 24 Cb 0.01 -0.59 -0.02 0.00 0.02 0.00 0.00 41.25 40.67 3kjp s ASN 24 CO 0.16 0.22 0.07 0.68 0.02 0.00 0.00 177.10 178.25 3kjp s VAL 25 N -0.21 0.18 0.04 1.60 -7.23 -0.16 -1.40 120.40 113.22 3kjp s VAL 25 Ca 0.00 -1.48 0.07 0.00 -1.81 0.00 0.00 61.98 58.76 3kjp s VAL 25 Cb -0.11 -1.37 -0.02 0.00 0.56 0.00 0.00 36.38 35.44 3kjp s VAL 25 CO 0.02 -0.82 -0.19 -0.31 -0.31 0.00 0.00 175.10 173.49 3kjp s TYR 26 N -3.72 1.70 0.12 2.82 1.51 -1.26 0.10 117.35 118.61 3kjp s TYR 26 Ca 0.05 -0.36 -0.26 0.00 -1.01 0.00 0.00 57.07 55.49 3kjp s TYR 26 Cb 0.06 -1.02 0.08 0.00 -0.11 0.00 0.00 41.96 40.97 3kjp s TYR 26 CO -0.10 0.07 1.06 0.20 -1.11 0.00 0.00 175.55 175.67 3kjp s GLY 27 N -1.09 -0.20 -0.11 0.71 0.00 -0.67 -4.76 107.32 101.20 3kjp s GLY 27 Ca 0.06 0.15 -0.04 0.00 0.00 0.00 0.00 44.72 44.90 3kjp s GLY 27 CO 0.01 0.70 0.04 0.14 0.00 0.00 0.00 173.10 173.99 3kjp s VAL 28 N -2.82 4.60 -0.22 1.40 1.01 0.42 -1.01 120.40 123.79 3kjp s VAL 28 Ca 0.15 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.71 3kjp s VAL 28 Cb -0.00 -2.97 -0.00 0.00 0.00 0.00 0.00 36.38 33.40 3kjp s VAL 28 CO 0.01 0.58 1.20 -0.69 0.00 0.00 0.00 175.10 176.21 3kjp s VAL 29 N -0.69 4.38 -0.14 2.92 1.01 0.62 -1.55 120.40 126.95 3kjp s VAL 29 Ca 0.11 1.64 0.07 0.00 0.00 0.00 0.00 61.98 63.81 3kjp s VAL 29 Cb -0.12 -4.14 -0.23 0.00 0.00 0.00 0.00 36.38 31.89 3kjp s VAL 29 CO 0.02 -0.23 0.29 1.17 0.00 0.00 0.00 175.10 176.35 3kjp n LYS 30 N 6.68 0.68 -3.63 2.72 4.81 0.12 -0.37 118.16 129.16 3kjp n LYS 30 Ca 0.13 0.19 -0.16 0.00 -0.87 0.00 0.00 58.31 57.61 3kjp n LYS 30 Cb 0.46 -1.66 -0.07 0.00 0.02 0.00 0.00 35.03 33.77 3kjp n LYS 30 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 3kjp s PHE 31 N -2.55 -0.46 -0.11 5.64 5.36 -1.15 -4.87 117.98 119.85 3kjp s PHE 31 Ca -0.16 0.81 -0.30 0.00 -0.96 0.00 0.00 56.93 56.33 3kjp s PHE 31 Cb 0.07 0.26 0.07 0.00 -0.34 0.00 0.00 43.02 43.09 3kjp s PHE 31 CO 0.77 -0.49 0.71 -0.59 -1.46 0.00 0.00 175.22 174.16 3kjp s PHE 32 N -1.11 -0.67 -0.22 10.12 -0.12 -1.26 -0.56 117.98 124.16 3kjp s PHE 32 Ca -0.11 1.29 -0.05 0.00 -0.05 0.00 0.00 56.93 58.00 3kjp s PHE 32 Cb -0.02 0.38 -0.02 0.00 -0.63 0.00 0.00 43.02 42.72 3kjp s PHE 32 CO 0.07 -0.54 0.00 0.15 -0.05 0.00 0.00 175.22 174.85 3kjp s LYS 33 N -0.82 3.55 0.76 1.99 1.02 0.47 -4.37 119.74 122.34 3kjp s LYS 33 Ca -0.08 -0.54 -0.13 0.00 0.02 0.00 0.00 55.97 55.23 3kjp s LYS 33 Cb -0.01 -3.11 0.06 0.00 -0.52 0.00 0.00 37.83 34.24 3kjp s LYS 33 CO 0.07 -0.10 1.16 -1.25 -0.92 0.00 0.00 175.35 174.32 3kjp s PRO 34 N 1.28 2.01 0.11 -1.68 0.04 -1.26 -3.17 135.00 132.33 3kjp s PRO 34 Ca 0.04 1.58 -0.35 0.00 0.04 0.00 0.00 61.00 62.30 3kjp s PRO 34 Cb -0.15 -1.84 -0.17 0.00 0.04 0.00 0.00 34.50 32.39 3kjp s PRO 34 CO 0.01 -1.89 1.16 -2.30 0.04 0.00 0.00 177.00 174.01 3kjp n PRO 35 N -3.11 0.84 -3.84 0.56 -0.02 -1.26 -4.74 135.00 123.43 3kjp n PRO 35 Ca 0.12 0.30 -0.12 0.00 -2.02 0.00 0.00 63.50 61.78 3kjp n PRO 35 Cb 0.51 -1.81 -0.10 0.00 -0.02 0.00 0.00 33.50 32.08 3kjp n PRO 35 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3kjp s TYR 36 N 0.01 -0.05 0.01 6.00 -0.85 -0.31 -4.90 117.35 117.26 3kjp s TYR 36 Ca 0.80 0.06 -0.30 0.00 -0.52 0.00 0.00 57.07 57.11 3kjp s TYR 36 Cb -0.98 0.00 -0.06 0.00 0.38 0.00 0.00 41.96 41.31 3kjp s TYR 36 CO 0.52 -0.28 1.42 -1.17 -1.52 0.00 0.00 175.55 174.52 3kjp s LEU 37 N -1.12 4.32 0.86 -3.49 2.96 -1.26 0.53 118.68 121.48 3kjp s LEU 37 Ca -0.12 2.14 -0.08 0.00 -0.22 0.00 0.00 54.13 55.85 3kjp s LEU 37 Cb -0.06 -3.56 0.18 0.00 0.50 0.00 0.00 46.19 43.24 3kjp s LEU 37 CO 0.02 -0.73 1.17 -0.94 -1.32 0.00 0.00 176.35 174.55 3kjp s SER 38 N 1.90 3.61 0.49 3.68 1.04 -0.52 -4.88 113.70 119.02 3kjp s SER 38 Ca 0.65 -0.13 0.32 0.00 0.48 0.00 0.00 55.95 57.26 3kjp s SER 38 Cb -0.32 -0.03 1.28 0.00 0.10 0.00 0.00 66.02 67.05 3kjp s SER 38 CO 0.27 -2.38 1.93 0.11 0.98 0.00 0.00 173.24 174.15 3kjp h LYS 39 N -1.13 0.00 0.00 4.02 6.56 -1.95 -3.44 116.57 120.63 3kjp h LYS 39 Ca -0.40 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.19 3kjp h LYS 39 Cb 1.24 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.90 3kjp h LYS 39 CO 0.36 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 178.16 3kjp n GLY 40 N 0.05 1.31 0.12 3.86 0.00 -1.26 -5.00 105.19 104.26 3kjp n GLY 40 Ca 0.01 -1.71 -0.01 0.00 0.00 0.00 0.00 46.02 44.31 3kjp n GLY 40 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kjp h THR 41 N 0.00 1.28 -1.80 2.61 2.02 -2.01 -3.48 112.91 111.54 3kjp h THR 41 Ca 0.00 -2.56 -0.52 0.00 0.77 0.00 0.00 66.41 64.10 3kjp h THR 41 Cb 0.00 2.47 -0.06 0.00 -1.74 0.00 0.00 68.15 68.82 3kjp h THR 41 CO 0.00 0.68 -0.48 -1.81 0.37 0.00 0.00 175.52 174.28 3kjp s ASP 42 N -6.61 4.94 0.56 4.18 1.01 -1.26 -4.84 116.67 114.65 3kjp s ASP 42 Ca 0.01 -0.69 -0.16 0.00 0.71 0.00 0.00 52.55 52.43 3kjp s ASP 42 Cb 0.10 -0.78 -0.06 0.00 1.01 0.00 0.00 42.92 43.19 3kjp s ASP 42 CO 0.77 -0.38 1.02 -0.31 0.21 0.00 0.00 175.17 176.47 3kjp s TYR 43 N -2.40 3.28 0.01 4.23 2.02 0.05 -1.44 117.35 123.10 3kjp s TYR 43 Ca 0.41 1.47 0.02 0.00 -0.37 0.00 0.00 57.07 58.59 3kjp s TYR 43 Cb -0.03 -2.87 -0.01 0.00 -0.40 0.00 0.00 41.96 38.64 3kjp s TYR 43 CO 0.25 -0.70 -0.06 0.00 -1.57 0.00 0.00 175.55 173.47 3kjp s SER 45 N -0.70 0.08 -0.16 0.00 0.15 -0.08 -1.16 113.70 111.84 3kjp s SER 45 Ca -0.03 0.04 -0.05 0.00 0.70 0.00 0.00 55.95 56.61 3kjp s SER 45 Cb -0.05 -0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.15 3kjp s SER 45 CO 0.00 -0.12 -0.00 -0.69 1.20 0.00 0.00 173.24 173.63 3kjp s VAL 46 N 1.03 4.23 -0.05 4.45 1.01 -1.19 -1.17 120.40 128.72 3kjp s VAL 46 Ca -0.09 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 61.65 3kjp s VAL 46 Cb -0.13 -2.86 0.03 0.00 0.00 0.00 0.00 36.38 33.42 3kjp s VAL 46 CO -0.03 0.50 -0.01 -0.69 0.00 0.00 0.00 175.10 174.87 3kjp s VAL 47 N 0.21 0.31 -0.23 2.92 1.01 -0.42 -0.39 120.40 123.79 3kjp s VAL 47 Ca 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 61.98 61.99 3kjp s VAL 47 Cb -0.13 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 3kjp s VAL 47 CO 0.02 0.21 0.04 -0.89 0.00 0.00 0.00 175.10 174.47 3kjp s THR 48 N 1.41 4.09 0.29 3.92 2.01 0.28 0.33 115.64 127.96 3kjp s THR 48 Ca -0.04 -0.25 0.10 0.00 0.31 0.00 0.00 61.69 61.81 3kjp s THR 48 Cb -0.13 -2.89 -0.05 0.00 0.01 0.00 0.00 72.50 69.44 3kjp s THR 48 CO -0.03 0.37 -0.06 0.27 -0.69 0.00 0.00 174.62 174.48 3kjp s ILE 49 N 1.45 2.95 0.03 1.82 -4.36 -0.26 -0.70 121.20 122.13 3kjp s ILE 49 Ca 0.05 -2.08 -0.03 0.00 -0.26 0.00 0.00 60.65 58.33 3kjp s ILE 49 Cb -0.15 -2.66 -0.02 0.00 1.25 0.00 0.00 42.46 40.89 3kjp s ILE 49 CO 0.02 -0.34 0.04 0.54 0.24 0.00 0.00 174.94 175.43 3kjp s VAL 50 N -2.43 0.13 0.00 8.37 0.11 -0.59 -0.80 120.40 125.18 3kjp s VAL 50 Ca 0.32 -1.05 0.00 0.00 -2.93 0.00 0.00 61.98 58.31 3kjp s VAL 50 Cb -0.04 -0.65 0.00 0.00 -1.53 0.00 0.00 36.38 34.15 3kjp s VAL 50 CO 0.18 -0.58 0.00 -0.90 -3.33 0.00 0.00 175.10 170.47 3kjp n ASP 51 N 1.12 0.48 0.31 3.54 5.75 -1.24 -0.43 116.55 126.07 3kjp n ASP 51 Ca -0.21 -0.68 0.20 0.00 -0.01 0.00 0.00 54.79 54.08 3kjp n ASP 51 Cb 0.57 0.00 1.06 0.00 -1.03 0.00 0.00 41.12 41.72 3kjp n ASP 51 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 3kjp h GLN 52 N 0.00 0.00 0.00 0.11 7.50 -1.94 -0.28 115.11 120.50 3kjp h GLN 52 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3kjp h GLN 52 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 3kjp h GLN 52 CO 0.00 0.00 0.00 0.25 -1.50 0.00 0.00 178.83 177.58 3kjp n THR 53 N -3.28 0.09 -1.07 -0.54 -2.24 -1.26 -4.89 114.28 101.09 3kjp n THR 53 Ca -0.02 0.02 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 3kjp n THR 53 Cb 0.16 -0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 67.83 3kjp n THR 53 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3kjp n ASN 54 N -1.40 -4.58 -4.80 3.42 5.15 -0.12 -4.96 115.26 107.97 3kjp n ASN 54 Ca 0.10 0.06 -0.39 0.00 -0.60 0.00 0.00 54.58 53.75 3kjp n ASN 54 Cb 0.28 -2.28 -0.06 0.00 -0.53 0.00 0.00 39.78 37.19 3kjp n ASN 54 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3kjp s VAL 55 N -1.65 4.76 0.01 3.44 1.01 -1.26 -4.90 120.40 121.80 3kjp s VAL 55 Ca 0.00 1.24 -0.02 0.00 0.00 0.00 0.00 61.98 63.20 3kjp s VAL 55 Cb 0.00 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 3kjp s VAL 55 CO 0.00 0.53 0.19 -0.54 0.00 0.00 0.00 175.10 175.27 3kjp s LYS 56 N -0.92 3.44 -0.06 2.72 -0.14 -1.26 -3.71 119.74 119.81 3kjp s LYS 56 Ca 0.30 -0.35 -0.00 0.00 -1.36 0.00 0.00 55.97 54.55 3kjp s LYS 56 Cb -0.19 -3.08 0.03 0.00 -1.68 0.00 0.00 37.83 32.90 3kjp s LYS 56 CO 0.19 0.66 -0.01 -1.17 -0.76 0.00 0.00 175.35 174.26 3kjp s LEU 57 N -2.06 0.85 -0.20 3.17 2.96 0.02 -4.97 118.68 118.45 3kjp s LEU 57 Ca 0.29 -0.08 -0.17 0.00 -0.22 0.00 0.00 54.13 53.95 3kjp s LEU 57 Cb -0.13 -0.39 -0.04 0.00 0.50 0.00 0.00 46.19 46.14 3kjp s LEU 57 CO 0.21 -0.15 0.46 -0.89 -1.32 0.00 0.00 176.35 174.66 3kjp s THR 58 N 1.56 5.16 -0.14 3.68 2.01 -1.26 -1.10 115.64 125.54 3kjp s THR 58 Ca -0.01 0.83 -0.02 0.00 0.31 0.00 0.00 61.69 62.80 3kjp s THR 58 Cb -0.13 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 3kjp s THR 58 CO -0.03 0.22 -0.09 0.00 -0.69 0.00 0.00 174.62 174.03 3kjp s LEU 60 N 0.36 4.98 -0.20 0.00 1.43 0.13 -1.30 118.68 124.07 3kjp s LEU 60 Ca -0.08 -1.22 -0.04 0.00 -1.03 0.00 0.00 54.13 51.76 3kjp s LEU 60 Cb -0.15 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 3kjp s LEU 60 CO 0.04 -0.47 -0.04 -0.76 0.23 0.00 0.00 176.35 175.35 3kjp s LEU 61 N 1.51 2.99 0.00 1.79 1.43 -0.32 -2.18 118.68 123.91 3kjp s LEU 61 Ca 0.02 -0.31 0.08 0.00 -1.03 0.00 0.00 54.13 52.89 3kjp s LEU 61 Cb -0.21 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 3kjp s LEU 61 CO 0.05 0.04 -0.24 -0.36 0.23 0.00 0.00 176.35 176.07 3kjp s PHE 62 N 1.12 2.12 -0.11 0.29 0.08 -1.26 -0.90 117.98 119.31 3kjp s PHE 62 Ca 0.02 -0.40 -0.28 0.00 0.12 0.00 0.00 56.93 56.38 3kjp s PHE 62 Cb -0.15 -1.33 0.07 0.00 -0.57 0.00 0.00 43.02 41.04 3kjp s PHE 62 CO -0.00 0.01 0.67 0.45 -0.10 0.00 0.00 175.22 176.24 3kjp s SER 63 N -0.75 -0.66 0.32 1.36 0.15 -1.01 -4.89 113.70 108.22 3kjp s SER 63 Ca 0.09 0.88 0.26 0.00 0.70 0.00 0.00 55.95 57.89 3kjp s SER 63 Cb -0.09 0.78 0.81 0.00 -1.71 0.00 0.00 66.02 65.80 3kjp s SER 63 CO -0.00 -0.50 1.75 1.23 1.20 0.00 0.00 173.24 176.92 3kjp h GLY 64 N 3.61 0.00 -6.75 9.45 0.00 -1.88 0.19 103.07 107.69 3kjp h GLY 64 Ca -0.28 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.40 3kjp h GLY 64 CO 0.30 0.00 -0.72 -1.31 0.00 0.00 0.00 176.54 174.81 3kjp s ASN 65 N -5.04 4.30 0.22 0.19 -0.87 -1.26 -4.78 114.94 107.70 3kjp s ASN 65 Ca 0.07 -0.38 -0.10 0.00 -1.57 0.00 0.00 52.86 50.88 3kjp s ASN 65 Cb 0.09 -1.74 0.32 0.00 -0.02 0.00 0.00 41.25 39.91 3kjp s ASN 65 CO 0.56 -0.01 1.66 0.22 -2.57 0.00 0.00 177.10 176.96 3kjp h TYR 66 N 8.05 -0.04 0.00 2.20 3.20 -1.98 -1.35 116.97 127.04 3kjp h TYR 66 Ca -0.41 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.51 3kjp h TYR 66 Cb 1.16 0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.55 3kjp h TYR 66 CO 0.58 -0.18 0.00 1.05 -1.64 0.00 0.00 178.16 177.97 3kjp h GLU 67 N 0.12 0.00 0.00 1.82 9.09 -1.97 -2.87 114.58 120.77 3kjp h GLU 67 Ca 0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.75 3kjp h GLU 67 Cb 0.56 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.66 3kjp h GLU 67 CO -0.56 0.00 0.00 0.00 0.05 0.00 0.00 179.01 178.50 3kjp n ALA 68 N -1.88 2.03 -2.18 1.06 0.00 -0.51 -4.28 120.51 114.76 3kjp n ALA 68 Ca 0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 53.44 53.12 3kjp n ALA 68 Cb 0.19 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 3kjp n ALA 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kjp s LEU 69 N -3.71 3.70 0.16 0.00 1.43 -1.08 -4.72 118.68 114.46 3kjp s LEU 69 Ca 0.10 1.09 -0.33 0.00 -1.03 0.00 0.00 54.13 53.96 3kjp s LEU 69 Cb 0.13 -4.02 -0.16 0.00 0.03 0.00 0.00 46.19 42.17 3kjp s LEU 69 CO 0.46 -0.51 1.22 -2.65 0.23 0.00 0.00 176.35 175.09 3kjp n PRO 70 N -1.79 1.24 -2.76 1.29 -0.02 -1.26 -4.87 135.00 126.83 3kjp n PRO 70 Ca 0.02 0.44 -0.43 0.00 -2.02 0.00 0.00 63.50 61.51 3kjp n PRO 70 Cb 0.54 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 3kjp n PRO 70 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3kjp n ILE 71 N 1.73 4.36 -3.75 4.25 5.41 -1.26 -4.91 119.36 125.19 3kjp n ILE 71 Ca 0.15 -4.72 -0.35 0.00 1.00 0.00 0.00 62.75 58.84 3kjp n ILE 71 Cb 0.24 -2.42 -0.08 0.00 -0.71 0.00 0.00 39.64 36.67 3kjp n ILE 71 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3kjp s ILE 72 N 0.75 5.34 -0.05 1.39 1.01 -1.26 -4.76 121.20 123.62 3kjp s ILE 72 Ca 0.40 0.16 0.15 0.00 0.00 0.00 0.00 60.65 61.36 3kjp s ILE 72 Cb 0.01 -3.44 -0.22 0.00 0.01 0.00 0.00 42.46 38.82 3kjp s ILE 72 CO 0.00 0.43 0.26 -1.22 0.00 0.00 0.00 174.94 174.42 3kjp n TYR 73 N 3.60 0.00 -3.47 3.97 4.01 -1.26 -5.00 117.16 119.02 3kjp n TYR 73 Ca -0.16 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.48 3kjp n TYR 73 Cb 0.52 -0.44 -0.02 0.00 -0.31 0.00 0.00 39.34 39.09 3kjp n TYR 73 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 3kjp s LYS 74 N -2.88 1.03 0.60 -0.72 -2.85 -1.26 -5.10 119.74 108.56 3kjp s LYS 74 Ca -0.06 -0.35 -0.20 0.00 -1.00 0.00 0.00 55.97 54.37 3kjp s LYS 74 Cb 0.08 0.48 -0.03 0.00 -2.06 0.00 0.00 37.83 36.30 3kjp s LYS 74 CO 0.62 -0.44 1.33 -0.80 0.10 0.00 0.00 175.35 176.16 3kjp s ASN 75 N -2.53 4.90 0.00 0.03 0.01 -1.26 -2.29 114.94 113.79 3kjp s ASN 75 Ca 0.02 2.70 0.00 0.00 -0.71 0.00 0.00 52.86 54.88 3kjp s ASN 75 Cb -0.01 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.02 3kjp s ASN 75 CO -0.10 -1.82 0.00 0.61 -1.51 0.00 0.00 177.10 174.28 3kjp n GLY 76 N 0.82 3.46 3.69 0.66 0.00 0.50 -4.95 105.19 109.37 3kjp n GLY 76 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 3kjp n GLY 76 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kjp n ASP 77 N 0.00 1.13 -4.55 1.61 8.00 -0.97 -3.54 116.55 118.22 3kjp n ASP 77 Ca 0.00 0.64 -0.34 0.00 0.71 0.00 0.00 54.79 55.80 3kjp n ASP 77 Cb 0.00 -1.50 -0.12 0.00 -0.02 0.00 0.00 41.12 39.48 3kjp n ASP 77 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kjp s ILE 78 N -1.96 3.68 0.14 0.53 1.01 0.08 -0.27 121.20 124.40 3kjp s ILE 78 Ca 0.75 -0.48 0.09 0.00 0.00 0.00 0.00 60.65 61.01 3kjp s ILE 78 Cb -0.31 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 3kjp s ILE 78 CO 0.49 0.58 -0.21 0.68 0.00 0.00 0.00 174.94 176.47 3kjp s VAL 79 N -0.55 1.89 -0.14 2.92 -7.23 -0.18 -0.13 120.40 116.99 3kjp s VAL 79 Ca 0.08 -1.74 0.01 0.00 -1.81 0.00 0.00 61.98 58.52 3kjp s VAL 79 Cb -0.12 -1.77 0.02 0.00 0.56 0.00 0.00 36.38 35.07 3kjp s VAL 79 CO 0.02 -0.12 -0.15 -0.60 -0.31 0.00 0.00 175.10 173.94 3kjp s ARG 80 N -2.28 2.35 -0.12 4.82 3.52 -0.20 -1.67 118.95 125.36 3kjp s ARG 80 Ca 0.12 -0.59 -0.00 0.00 -0.13 0.00 0.00 55.73 55.13 3kjp s ARG 80 Cb -0.08 -2.08 -0.02 0.00 -1.56 0.00 0.00 34.95 31.21 3kjp s ARG 80 CO 0.06 -0.17 -0.11 -0.06 -0.81 0.00 0.00 175.30 174.20 3kjp s PHE 81 N 1.29 2.84 -0.03 5.12 0.08 0.11 -1.51 117.98 125.88 3kjp s PHE 81 Ca 0.01 -0.51 0.04 0.00 0.12 0.00 0.00 56.93 56.59 3kjp s PHE 81 Cb -0.14 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.45 3kjp s PHE 81 CO -0.08 -0.12 -0.12 -1.01 -0.10 0.00 0.00 175.22 173.79 3kjp s HIS 82 N 0.18 2.75 -0.88 0.36 3.76 0.82 -0.99 115.29 121.29 3kjp s HIS 82 Ca -0.06 -0.12 -0.01 0.00 -0.15 0.00 0.00 55.06 54.71 3kjp s HIS 82 Cb -0.15 -1.62 -0.02 0.00 1.11 0.00 0.00 32.58 31.91 3kjp s HIS 82 CO 0.05 0.25 0.75 0.54 -0.85 0.00 0.00 174.74 175.47 3kjp n ARG 83 N 2.07 -4.02 -3.83 1.40 1.74 -0.99 -1.89 116.66 111.15 3kjp n ARG 83 Ca -0.17 0.65 -0.36 0.00 -0.77 0.00 0.00 57.85 57.21 3kjp n ARG 83 Cb 0.52 -5.00 -0.10 0.00 -1.02 0.00 0.00 32.46 26.86 3kjp n ARG 83 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3kjp s LEU 84 N -5.17 3.84 0.04 0.55 2.96 0.04 -2.84 118.68 118.10 3kjp s LEU 84 Ca 0.11 0.03 -0.21 0.00 -0.22 0.00 0.00 54.13 53.84 3kjp s LEU 84 Cb -0.01 -2.01 -0.06 0.00 0.50 0.00 0.00 46.19 44.61 3kjp s LEU 84 CO 0.56 0.09 0.62 -0.75 -1.32 0.00 0.00 176.35 175.55 3kjp s LYS 85 N 0.89 4.32 -0.22 1.98 2.20 -0.02 0.16 119.74 129.05 3kjp s LYS 85 Ca 0.05 0.80 -0.07 0.00 -0.36 0.00 0.00 55.97 56.39 3kjp s LYS 85 Cb -0.13 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 3kjp s LYS 85 CO 0.03 0.47 0.07 0.42 -0.36 0.00 0.00 175.35 175.97 3kjp s ILE 86 N -0.56 4.54 0.28 5.43 -1.09 0.87 -0.98 121.20 129.69 3kjp s ILE 86 Ca 0.31 -0.11 0.03 0.00 -2.23 0.00 0.00 60.65 58.66 3kjp s ILE 86 Cb -0.19 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.56 3kjp s ILE 86 CO 0.19 0.39 0.17 0.00 -1.23 0.00 0.00 174.94 174.47 3kjp s GLN 87 N 1.01 1.52 -0.14 2.79 -2.07 -0.48 -0.03 119.66 122.27 3kjp s GLN 87 Ca 0.04 -1.85 0.01 0.00 -1.82 0.00 0.00 55.36 51.73 3kjp s GLN 87 Cb -0.14 0.07 -0.01 0.00 -1.09 0.00 0.00 33.01 31.84 3kjp s GLN 87 CO 0.03 -0.47 -0.15 0.08 -1.32 0.00 0.00 175.29 173.46 3kjp s VAL 88 N -3.72 2.74 -0.15 3.63 1.01 -1.26 -0.24 120.40 122.41 3kjp s VAL 88 Ca 0.38 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.60 3kjp s VAL 88 Cb 0.05 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.32 3kjp s VAL 88 CO 0.18 0.52 -0.11 -0.47 0.00 0.00 0.00 175.10 175.22 3kjp s TYR 89 N 0.57 2.03 -1.17 5.22 5.04 0.39 -4.78 117.35 124.64 3kjp s TYR 89 Ca -0.09 -1.17 -0.21 0.00 -2.44 0.00 0.00 57.07 53.16 3kjp s TYR 89 Cb -0.16 -1.51 -0.00 0.00 0.35 0.00 0.00 41.96 40.64 3kjp s TYR 89 CO 0.04 -0.65 0.75 1.63 -1.34 0.00 0.00 175.55 175.98 3kjp n LYS 90 N 4.80 -1.30 -1.02 4.97 5.02 -1.26 -0.15 118.16 129.22 3kjp n LYS 90 Ca -0.15 0.40 -0.05 0.00 -2.02 0.00 0.00 58.31 56.49 3kjp n LYS 90 Cb 0.49 -3.96 -0.02 0.00 -0.02 0.00 0.00 35.03 31.53 3kjp n LYS 90 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3kjp n LYS 91 N -4.32 -1.84 -4.81 1.97 4.81 -1.26 -4.93 118.16 107.78 3kjp n LYS 91 Ca -0.12 0.59 -0.33 0.00 -0.87 0.00 0.00 58.31 57.59 3kjp n LYS 91 Cb 0.60 -4.81 -0.16 0.00 0.02 0.00 0.00 35.03 30.68 3kjp n LYS 91 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3kjp s GLU 92 N -2.17 3.19 0.08 1.64 0.41 0.79 -5.10 118.70 117.54 3kjp s GLU 92 Ca 0.00 -0.78 -0.30 0.00 -0.41 0.00 0.00 54.97 53.48 3kjp s GLU 92 Cb 0.00 -2.51 -0.06 0.00 -1.78 0.00 0.00 34.13 29.78 3kjp s GLU 92 CO 0.00 0.11 1.10 0.95 -0.49 0.00 0.00 175.26 176.94 3kjp s THR 93 N 0.55 4.22 0.05 3.63 -4.23 -1.26 0.15 115.64 118.76 3kjp s THR 93 Ca -0.11 1.68 0.01 0.00 -1.18 0.00 0.00 61.69 62.10 3kjp s THR 93 Cb -0.16 -4.08 -0.03 0.00 1.34 0.00 0.00 72.50 69.57 3kjp s THR 93 CO 0.04 0.18 -0.06 0.00 -0.54 0.00 0.00 174.62 174.24 3kjp s GLN 94 N 0.60 0.59 0.08 3.99 -2.07 0.66 -4.63 119.66 118.89 3kjp s GLN 94 Ca 0.54 -0.96 -0.01 0.00 -1.82 0.00 0.00 55.36 53.11 3kjp s GLN 94 Cb -0.27 -0.12 -0.04 0.00 -1.09 0.00 0.00 33.01 31.49 3kjp s GLN 94 CO 0.30 -0.01 0.25 0.20 -1.32 0.00 0.00 175.29 174.71 3kjp s GLY 95 N -2.17 2.14 0.00 2.60 0.00 -0.10 -1.38 107.32 108.42 3kjp s GLY 95 Ca -0.02 -0.82 -0.14 0.00 0.00 0.00 0.00 44.72 43.74 3kjp s GLY 95 CO -0.03 -0.79 0.29 -1.50 0.00 0.00 0.00 173.10 171.07 3kjp s ILE 96 N -1.56 0.07 0.38 0.90 2.07 -0.16 0.17 121.20 123.07 3kjp s ILE 96 Ca 0.36 -0.56 -0.28 0.00 -1.41 0.00 0.00 60.65 58.76 3kjp s ILE 96 Cb -0.13 -0.70 -0.11 0.00 0.13 0.00 0.00 42.46 41.65 3kjp s ILE 96 CO 0.28 -0.31 1.48 0.35 -1.91 0.00 0.00 174.94 174.83 3kjp n THR 97 N 1.07 2.07 -4.57 4.00 -2.24 -0.93 -0.84 114.28 112.85 3kjp n THR 97 Ca -0.21 -0.50 -0.26 0.00 -2.27 0.00 0.00 64.05 60.81 3kjp n THR 97 Cb 0.57 -1.96 -0.11 0.00 -2.10 0.00 0.00 70.33 66.73 3kjp n THR 97 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3kjp s SER 98 N -0.16 3.71 0.29 3.42 0.15 -1.13 -4.70 113.70 115.28 3kjp s SER 98 Ca 0.54 -1.28 -0.29 0.00 0.70 0.00 0.00 55.95 55.62 3kjp s SER 98 Cb -0.47 -0.36 -0.13 0.00 -1.71 0.00 0.00 66.02 63.35 3kjp s SER 98 CO 0.63 -0.33 1.35 -1.20 1.20 0.00 0.00 173.24 174.90 3kjp n SER 99 N -0.86 2.78 0.00 5.45 7.64 -1.26 -1.52 113.62 125.85 3kjp n SER 99 Ca -0.05 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.01 3kjp n SER 99 Cb 0.65 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 3kjp n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kjp n GLY 100 N 1.46 0.46 3.59 0.23 0.00 -1.26 -4.94 105.19 104.73 3kjp n GLY 100 Ca 0.08 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.64 3kjp n GLY 100 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3kjp n PHE 101 N -2.82 1.35 -3.82 1.61 7.35 -0.57 -4.78 117.46 115.77 3kjp n PHE 101 Ca 0.00 0.67 -0.12 0.00 -0.76 0.00 0.00 57.45 57.24 3kjp n PHE 101 Cb 0.06 -2.28 -0.10 0.00 0.35 0.00 0.00 39.48 37.51 3kjp n PHE 101 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kjp s ALA 102 N -0.73 -0.51 0.06 3.13 0.00 -0.79 -4.99 121.76 117.93 3kjp s ALA 102 Ca 0.63 0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.88 3kjp s ALA 102 Cb -0.74 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 3kjp s ALA 102 CO 0.57 -0.17 -0.06 -1.54 0.00 0.00 0.00 175.76 174.56 3kjp s SER 103 N -0.74 0.79 -0.04 0.00 1.04 -1.26 -0.13 113.70 113.36 3kjp s SER 103 Ca -0.08 -0.81 0.04 0.00 0.48 0.00 0.00 55.95 55.57 3kjp s SER 103 Cb -0.05 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.18 3kjp s SER 103 CO 0.02 -0.40 -0.15 -0.76 0.98 0.00 0.00 173.24 172.92 3kjp s LEU 104 N -2.40 1.86 0.05 2.42 1.43 -0.57 -4.59 118.68 116.88 3kjp s LEU 104 Ca 0.01 -0.32 0.09 0.00 -1.03 0.00 0.00 54.13 52.88 3kjp s LEU 104 Cb -0.00 -0.88 -0.03 0.00 0.03 0.00 0.00 46.19 45.30 3kjp s LEU 104 CO -0.04 0.12 -0.25 -0.89 0.23 0.00 0.00 176.35 175.52 3kjp s THR 105 N 0.16 2.06 0.09 5.49 2.01 -0.45 -1.04 115.64 123.97 3kjp s THR 105 Ca -0.05 -1.40 0.02 0.00 0.31 0.00 0.00 61.69 60.57 3kjp s THR 105 Cb -0.12 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 3kjp s THR 105 CO 0.02 0.30 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.82 3kjp s PHE 106 N -0.84 0.91 0.48 4.92 0.08 0.81 -0.58 117.98 123.77 3kjp s PHE 106 Ca 0.11 -0.79 -0.23 0.00 0.12 0.00 0.00 56.93 56.13 3kjp s PHE 106 Cb -0.10 -0.52 -0.07 0.00 -0.57 0.00 0.00 43.02 41.77 3kjp s PHE 106 CO 0.02 -0.10 1.27 -1.21 -0.10 0.00 0.00 175.22 175.11 3kjp s GLU 107 N -3.30 3.60 0.00 0.44 2.02 -1.26 -0.74 118.70 119.46 3kjp s GLU 107 Ca 0.08 2.05 0.23 0.00 0.02 0.00 0.00 54.97 57.34 3kjp s GLU 107 Cb 0.01 -2.45 0.38 0.00 0.10 0.00 0.00 34.13 32.17 3kjp s GLU 107 CO -0.03 -0.76 1.37 0.41 0.02 0.00 0.00 175.26 176.26 3kjp n GLY 108 N 0.60 1.62 3.81 -1.39 0.00 -1.23 -4.50 105.19 104.09 3kjp n GLY 108 Ca 0.07 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 3kjp n GLY 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kjp s THR 109 N -1.53 4.95 0.14 2.61 -4.23 -1.26 -4.67 115.64 111.65 3kjp s THR 109 Ca 0.36 1.01 -0.35 0.00 -1.18 0.00 0.00 61.69 61.54 3kjp s THR 109 Cb 0.22 -3.81 -0.15 0.00 1.34 0.00 0.00 72.50 70.11 3kjp s THR 109 CO 0.31 0.52 1.48 0.18 -0.54 0.00 0.00 174.62 176.57 3kjp n LEU 110 N 2.12 2.57 0.00 4.79 4.77 -1.26 -1.83 117.00 128.16 3kjp n LEU 110 Ca -0.11 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.97 3kjp n LEU 110 Cb 0.52 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.26 3kjp n LEU 110 CO 0.40 -0.58 0.00 0.61 -1.33 0.00 0.00 177.39 176.49 3kjp n GLY 111 N 3.01 1.73 3.78 -0.72 0.00 -1.26 -5.03 105.19 106.71 3kjp n GLY 111 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3kjp n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kjp s ALA 112 N -3.50 2.52 0.64 4.61 0.00 -0.76 -4.97 121.76 120.30 3kjp s ALA 112 Ca 0.00 0.39 -0.18 0.00 0.00 0.00 0.00 51.96 52.17 3kjp s ALA 112 Cb 0.00 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 3kjp s ALA 112 CO 0.00 -1.25 1.15 -2.30 0.00 0.00 0.00 175.76 173.36 3kjp n PRO 113 N -2.64 0.99 -3.63 0.00 -0.02 -1.26 -4.92 135.00 123.51 3kjp n PRO 113 Ca 0.09 0.39 -0.39 0.00 -2.02 0.00 0.00 63.50 61.58 3kjp n PRO 113 Cb 0.53 -2.38 -0.08 0.00 -0.02 0.00 0.00 33.50 31.55 3kjp n PRO 113 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kjp s ILE 114 N -1.45 4.16 -0.28 4.25 1.01 -1.26 -4.59 121.20 123.04 3kjp s ILE 114 Ca 0.80 -2.90 0.03 0.00 0.00 0.00 0.00 60.65 58.58 3kjp s ILE 114 Cb -0.39 -3.66 0.07 0.00 0.01 0.00 0.00 42.46 38.49 3kjp s ILE 114 CO 0.43 -0.92 -0.06 -0.63 0.00 0.00 0.00 174.94 173.75 3kjp s ILE 115 N -0.08 2.26 0.19 2.92 1.01 -1.26 -5.10 121.20 121.14 3kjp s ILE 115 Ca 0.18 -1.79 -0.31 0.00 0.00 0.00 0.00 60.65 58.73 3kjp s ILE 115 Cb -0.18 -2.41 -0.10 0.00 0.01 0.00 0.00 42.46 39.78 3kjp s ILE 115 CO -0.05 -0.17 1.51 -2.16 0.00 0.00 0.00 174.94 174.07 3kjp s PRO 116 N 1.07 4.24 -0.18 2.79 0.04 -1.26 -4.66 135.00 137.04 3kjp s PRO 116 Ca -0.04 2.32 -0.04 0.00 0.04 0.00 0.00 61.00 63.28 3kjp s PRO 116 Cb -0.20 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 3kjp s PRO 116 CO -0.05 -0.53 -0.02 1.03 0.04 0.00 0.00 177.00 177.47 3kjp s ARG 117 N 0.57 3.66 0.00 4.56 0.52 0.26 -4.89 118.95 123.63 3kjp s ARG 117 Ca 0.66 -0.51 -0.28 0.00 -0.52 0.00 0.00 55.73 55.07 3kjp s ARG 117 Cb -0.43 -3.00 0.10 0.00 0.52 0.00 0.00 34.95 32.14 3kjp s ARG 117 CO 0.36 0.14 0.87 -0.08 0.02 0.00 0.00 175.30 176.60 3kjp s THR 118 N 0.65 0.00 -1.05 0.02 -1.32 -1.26 -1.34 115.64 111.34 3kjp s THR 118 Ca -0.01 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.70 3kjp s THR 118 Cb -0.14 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.75 3kjp s THR 118 CO 0.02 0.00 1.18 -1.54 -2.21 0.00 0.00 174.62 172.07 3kjp n SER 119 N -0.22 0.79 -4.74 8.08 3.41 -1.26 -4.95 113.62 114.71 3kjp n SER 119 Ca -0.10 -0.65 -0.42 0.00 -0.26 0.00 0.00 58.87 57.45 3kjp n SER 119 Cb 0.62 0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 65.14 3kjp n SER 119 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3kjp s SER 120 N -2.97 6.44 0.06 4.04 0.01 -1.26 -4.92 113.70 115.10 3kjp s SER 120 Ca 0.10 2.87 -0.15 0.00 1.31 0.00 0.00 55.95 60.08 3kjp s SER 120 Cb 0.17 -2.63 -0.26 0.00 0.21 0.00 0.00 66.02 63.51 3kjp s SER 120 CO 0.77 -0.87 1.14 0.50 0.41 0.00 0.00 173.24 175.19 3kjp h LYS 121 N 5.15 0.64 -5.21 12.44 3.64 -2.03 -3.43 116.57 127.77 3kjp h LYS 121 Ca -0.46 -0.75 -0.67 0.00 -1.27 0.00 0.00 60.65 57.50 3kjp h LYS 121 Cb 1.22 0.23 -0.33 0.00 -0.41 0.00 0.00 32.23 32.94 3kjp h LYS 121 CO 0.81 1.32 -0.85 0.71 -2.27 0.00 0.00 179.45 179.17 3kjp s TYR 122 N -3.16 2.70 -0.07 1.91 2.02 -1.26 -5.12 117.35 114.37 3kjp s TYR 122 Ca -0.10 -1.25 -0.17 0.00 -0.37 0.00 0.00 57.07 55.18 3kjp s TYR 122 Cb 0.06 -1.83 0.04 0.00 -0.40 0.00 0.00 41.96 39.82 3kjp s TYR 122 CO 0.91 -0.56 0.40 -0.59 -1.57 0.00 0.00 175.55 174.14 3kjp s PHE 123 N 0.79 -0.34 0.10 2.71 -0.12 -1.26 -5.14 117.98 114.71 3kjp s PHE 123 Ca -0.07 0.68 -0.30 0.00 -0.05 0.00 0.00 56.93 57.19 3kjp s PHE 123 Cb -0.16 0.16 -0.06 0.00 -0.63 0.00 0.00 43.02 42.34 3kjp s PHE 123 CO -0.01 -0.37 1.00 1.21 -0.05 0.00 0.00 175.22 177.01 3kjp s ASN 124 N -0.79 7.42 -0.25 1.98 3.84 -1.26 -5.03 114.94 120.85 3kjp s ASN 124 Ca -0.09 1.83 -0.03 0.00 0.21 0.00 0.00 52.86 54.79 3kjp s ASN 124 Cb -0.04 -2.59 0.14 0.00 -0.55 0.00 0.00 41.25 38.21 3kjp s ASN 124 CO 0.04 -0.15 0.38 0.12 -2.79 0.00 0.00 177.10 174.71 3kjp s PHE 125 N 0.18 -0.85 0.48 0.43 5.36 -1.26 -5.10 117.98 117.22 3kjp s PHE 125 Ca 0.49 0.86 0.02 0.00 -0.96 0.00 0.00 56.93 57.34 3kjp s PHE 125 Cb -0.24 0.04 -0.02 0.00 -0.34 0.00 0.00 43.02 42.45 3kjp s PHE 125 CO 0.30 -0.73 0.02 0.95 -1.46 0.00 0.00 175.22 174.31 3kjp s THR 126 N 2.56 1.19 0.48 0.12 -4.23 -1.26 -5.00 115.64 109.50 3kjp s THR 126 Ca 0.13 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.80 3kjp s THR 126 Cb -0.15 -2.31 0.23 0.00 1.34 0.00 0.00 72.50 71.61 3kjp s THR 126 CO -0.16 0.00 2.07 0.00 -0.54 0.00 0.00 174.62 175.99 3kjp h THR 127 N 1.48 1.03 -0.44 3.99 1.03 -2.01 -0.29 112.91 117.70 3kjp h THR 127 Ca -0.43 -0.32 -0.02 0.00 -0.01 0.00 0.00 66.41 65.63 3kjp h THR 127 Cb 1.30 1.18 -0.02 0.00 -1.07 0.00 0.00 68.15 69.53 3kjp h THR 127 CO 0.73 0.09 0.17 -0.08 -0.01 0.00 0.00 175.52 176.42 3kjp h GLU 128 N 0.00 0.62 -0.40 0.00 4.57 -2.00 -1.81 114.58 115.56 3kjp h GLU 128 Ca -0.00 -0.08 -0.12 0.00 -1.18 0.00 0.00 59.36 57.97 3kjp h GLU 128 Cb 0.17 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 3kjp h GLU 128 CO 0.01 0.51 -0.23 -0.44 -1.18 0.00 0.00 179.01 177.69 3kjp h ASP 129 N 0.62 0.90 -0.01 1.04 3.32 -1.44 -2.12 116.42 118.72 3kjp h ASP 129 Ca 0.15 -0.42 0.03 0.00 0.02 0.00 0.00 57.03 56.81 3kjp h ASP 129 Cb 0.13 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 3kjp h ASP 129 CO -0.01 1.12 -0.20 0.45 -1.72 0.00 0.00 179.24 178.87 3kjp h HIS 130 N 0.68 -0.52 -0.86 4.55 3.86 -1.15 0.07 115.15 121.77 3kjp h HIS 130 Ca 0.09 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.38 3kjp h HIS 130 Cb 0.80 0.23 -0.06 0.00 1.06 0.00 0.00 27.41 29.44 3kjp h HIS 130 CO 0.06 -0.28 0.53 0.87 0.86 0.00 0.00 177.93 179.96 3kjp h LYS 131 N -0.31 0.91 -0.45 2.45 1.57 -1.29 -0.34 116.57 119.11 3kjp h LYS 131 Ca 0.06 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3kjp h LYS 131 Cb 0.40 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3kjp h LYS 131 CO -0.19 0.60 0.13 0.52 -0.57 0.00 0.00 179.45 179.94 3kjp h MET 132 N 0.94 0.71 0.17 3.15 2.86 -0.76 -0.59 114.93 121.42 3kjp h MET 132 Ca 0.38 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 3kjp h MET 132 Cb 0.22 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.78 3kjp h MET 132 CO -0.19 0.69 -0.08 0.28 1.06 0.00 0.00 176.91 178.67 3kjp h VAL 133 N 0.60 0.93 -0.97 -2.22 2.07 -0.48 -2.36 116.25 113.81 3kjp h VAL 133 Ca 0.14 -0.51 0.13 0.00 0.82 0.00 0.00 66.70 67.28 3kjp h VAL 133 Cb 0.28 1.24 -0.09 0.00 -1.52 0.00 0.00 31.29 31.20 3kjp h VAL 133 CO -0.00 0.12 0.60 -0.33 0.02 0.00 0.00 177.57 177.97 3kjp h GLU 134 N -0.48 0.90 -0.79 1.57 5.08 -1.01 -1.10 114.58 118.75 3kjp h GLU 134 Ca -0.02 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3kjp h GLU 134 Cb 0.37 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 3kjp h GLU 134 CO 0.04 0.60 0.35 0.00 -1.00 0.00 0.00 179.01 179.00 3kjp h ALA 135 N 1.54 1.12 -0.10 3.43 0.00 -0.98 -0.10 119.26 124.17 3kjp h ALA 135 Ca 0.49 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 55.09 3kjp h ALA 135 Cb 0.52 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3kjp h ALA 135 CO -0.28 0.65 -0.55 -0.07 0.00 0.00 0.00 179.25 178.99 3kjp h LEU 136 N 1.14 0.34 -0.41 0.00 3.38 -0.77 -0.96 115.31 118.03 3kjp h LEU 136 Ca 0.27 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 3kjp h LEU 136 Cb 0.16 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3kjp h LEU 136 CO -0.03 0.83 -0.24 0.03 0.09 0.00 0.00 178.44 179.12 3kjp h ARG 137 N 0.24 0.89 0.05 1.13 3.08 -0.79 0.22 114.38 119.19 3kjp h ARG 137 Ca 0.00 -0.41 -0.00 0.00 0.07 0.00 0.00 59.98 59.64 3kjp h ARG 137 Cb 1.05 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.08 3kjp h ARG 137 CO 0.09 1.06 -0.02 0.28 -1.07 0.00 0.00 179.97 180.30 3kjp h VAL 138 N 0.71 0.99 -0.35 2.04 2.07 -0.89 -1.08 116.25 119.75 3kjp h VAL 138 Ca 0.09 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.52 3kjp h VAL 138 Cb 0.81 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 3kjp h VAL 138 CO 0.07 0.03 0.14 -0.25 0.02 0.00 0.00 177.57 177.58 3kjp h TRP 139 N -0.12 0.26 -0.48 1.57 7.01 -1.00 -2.97 115.95 120.22 3kjp h TRP 139 Ca -0.01 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.97 3kjp h TRP 139 Cb 0.10 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.07 3kjp h TRP 139 CO -0.06 0.12 0.12 0.00 -2.79 0.00 0.00 178.44 175.84 3kjp h ALA 140 N 1.21 1.32 -0.48 2.65 0.00 -0.36 -2.40 119.26 121.20 3kjp h ALA 140 Ca 0.15 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.03 3kjp h ALA 140 Cb 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3kjp h ALA 140 CO -0.14 0.48 0.36 0.66 0.00 0.00 0.00 179.25 180.62 3kjp h SER 141 N 0.69 0.00 0.03 0.00 4.64 -1.02 0.47 113.55 118.35 3kjp h SER 141 Ca 0.16 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.11 3kjp h SER 141 Cb 0.25 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.27 3kjp h SER 141 CO -0.00 0.00 -2.37 1.07 -0.87 0.00 0.00 176.83 174.65 3kjp n THR 142 N -4.29 1.44 -0.63 2.95 5.66 -1.12 -4.51 114.28 113.78 3kjp n THR 142 Ca 0.09 -0.77 0.09 0.00 -3.05 0.00 0.00 64.05 60.41 3kjp n THR 142 Cb 0.57 -0.80 0.36 0.00 -1.55 0.00 0.00 70.33 68.91 3kjp n THR 142 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3kjp n HIS 143 N -2.93 1.48 -3.98 1.09 -0.00 -0.92 -4.99 115.22 104.97 3kjp n HIS 143 Ca -0.36 -0.61 -0.10 0.00 -0.00 0.00 0.00 57.72 56.64 3kjp n HIS 143 Cb 1.10 -0.24 -0.03 0.00 -0.00 0.00 0.00 29.99 30.82 3kjp n HIS 143 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 3kjp s MET 144 N -1.85 1.78 -0.04 -0.41 -1.94 0.12 -4.98 119.30 111.99 3kjp s MET 144 Ca 0.51 -1.40 -0.03 0.00 -1.71 0.00 0.00 55.69 53.06 3kjp s MET 144 Cb 0.33 0.50 -0.04 0.00 2.01 0.00 0.00 34.83 37.63 3kjp s MET 144 CO 0.25 -0.77 0.15 -1.12 -0.01 0.00 0.00 175.02 173.52 3kjp s SER 145 N -3.08 6.25 1.16 3.03 0.01 -1.26 -4.75 113.70 115.06 3kjp s SER 145 Ca 0.22 0.35 -0.13 0.00 1.31 0.00 0.00 55.95 57.70 3kjp s SER 145 Cb -0.02 -1.96 0.28 0.00 0.21 0.00 0.00 66.02 64.54 3kjp s SER 145 CO 0.12 0.30 1.03 -2.16 0.41 0.00 0.00 173.24 172.95 3kjp s PRO 146 N -1.66 -0.90 -0.30 12.44 0.04 -1.26 -4.96 135.00 138.40 3kjp s PRO 146 Ca 0.23 0.80 -0.07 0.00 0.04 0.00 0.00 61.00 62.00 3kjp s PRO 146 Cb -0.12 -1.56 0.18 0.00 0.04 0.00 0.00 34.50 33.04 3kjp s PRO 146 CO 0.14 -3.70 0.86 -1.54 0.04 0.00 0.00 177.00 172.79 3kjp s SER 147 N -2.58 -0.87 0.01 6.66 1.04 -1.26 -5.06 113.70 111.63 3kjp s SER 147 Ca 0.68 0.50 0.00 0.00 0.48 0.00 0.00 55.95 57.61 3kjp s SER 147 Cb -0.25 1.71 0.00 0.00 0.10 0.00 0.00 66.02 67.58 3kjp s SER 147 CO 0.64 -0.16 0.00 0.41 0.98 0.00 0.00 173.24 175.11 3kjp n THR 149 N 5.44 -0.63 -3.57 2.02 -1.04 -1.26 -5.16 114.28 110.08 3kjp n THR 149 Ca -0.03 0.16 -0.24 0.00 -2.04 0.00 0.00 64.05 61.90 3kjp n THR 149 Cb 0.53 -0.71 -0.16 0.00 -1.82 0.00 0.00 70.33 68.17 3kjp n THR 149 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3kjp s LEU 150 N -0.07 0.24 -0.01 -4.42 0.20 -1.26 -5.13 118.68 108.22 3kjp s LEU 150 Ca 0.00 -0.59 -0.30 0.00 0.69 0.00 0.00 54.13 53.93 3kjp s LEU 150 Cb 0.00 -0.09 -0.04 0.00 -0.43 0.00 0.00 46.19 45.63 3kjp s LEU 150 CO 0.00 -0.35 1.21 -0.22 -0.29 0.00 0.00 176.35 176.69 3kjp s LEU 151 N 2.18 4.31 0.38 -0.68 2.96 -1.26 -5.04 118.68 121.53 3kjp s LEU 151 Ca 0.04 1.89 -0.03 0.00 -0.22 0.00 0.00 54.13 55.81 3kjp s LEU 151 Cb -0.16 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 3kjp s LEU 151 CO -0.13 -0.55 0.64 -0.54 -1.32 0.00 0.00 176.35 174.45 3kjp s LYS 152 N 1.84 3.55 0.47 1.98 -0.14 -1.26 -4.71 119.74 121.48 3kjp s LYS 152 Ca 0.57 -0.05 0.14 0.00 -1.36 0.00 0.00 55.97 55.28 3kjp s LYS 152 Cb -0.27 -2.55 1.12 0.00 -1.68 0.00 0.00 37.83 34.45 3kjp s LYS 152 CO 0.25 0.04 2.07 -0.07 -0.76 0.00 0.00 175.35 176.88 3kjp h LEU 153 N 0.82 0.21 -0.66 3.17 3.38 -1.91 -0.76 115.31 119.56 3kjp h LEU 153 Ca -0.48 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3kjp h LEU 153 Cb 1.21 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3kjp h LEU 153 CO 0.63 0.14 0.00 0.00 0.09 0.00 0.00 178.44 179.30 3kjp n ASP 155 N -2.05 2.40 -4.76 0.00 8.00 -0.29 -4.46 116.55 115.38 3kjp n ASP 155 Ca 0.02 -1.68 -0.37 0.00 0.71 0.00 0.00 54.79 53.46 3kjp n ASP 155 Cb 0.16 -0.08 0.01 0.00 -0.02 0.00 0.00 41.12 41.19 3kjp n ASP 155 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3kjp s VAL 156 N -1.07 2.77 0.27 2.53 -7.23 -1.11 -4.98 120.40 111.59 3kjp s VAL 156 Ca 0.19 0.55 0.04 0.00 -1.81 0.00 0.00 61.98 60.94 3kjp s VAL 156 Cb 0.12 -3.26 -0.03 0.00 0.56 0.00 0.00 36.38 33.77 3kjp s VAL 156 CO 0.17 -0.04 0.41 -1.10 -0.31 0.00 0.00 175.10 174.24 3kjp s GLN 157 N -2.94 3.45 0.30 4.82 -0.21 -1.26 -4.78 119.66 119.04 3kjp s GLN 157 Ca 0.69 -0.65 0.01 0.00 0.02 0.00 0.00 55.36 55.43 3kjp s GLN 157 Cb -0.31 -2.83 0.71 0.00 1.00 0.00 0.00 33.01 31.59 3kjp s GLN 157 CO 0.37 0.35 1.59 -1.35 -2.12 0.00 0.00 175.29 174.12 3kjp h PRO 158 N 1.05 0.04 -2.72 2.91 0.11 -1.96 -3.35 132.00 128.08 3kjp h PRO 158 Ca -0.51 -0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.15 3kjp h PRO 158 Cb 1.23 -0.01 -0.39 0.00 0.11 0.00 0.00 31.00 31.94 3kjp h PRO 158 CO 0.61 0.03 -0.72 1.41 -0.21 0.00 0.00 178.00 179.11 3kjp s MET 159 N -6.01 0.17 0.15 1.05 1.75 -1.26 -1.48 119.30 113.67 3kjp s MET 159 Ca -0.13 -0.22 -0.24 0.00 -1.25 0.00 0.00 55.69 53.85 3kjp s MET 159 Cb 0.28 -1.28 0.06 0.00 2.84 0.00 0.00 34.83 36.73 3kjp s MET 159 CO 0.77 -0.86 0.75 1.14 -0.65 0.00 0.00 175.02 176.17 3kjp s GLN 160 N 2.19 1.29 -0.04 4.11 -2.07 -1.21 -4.97 119.66 118.95 3kjp s GLN 160 Ca 0.07 -0.58 -0.02 0.00 -1.82 0.00 0.00 55.36 53.01 3kjp s GLN 160 Cb -0.16 0.52 -0.04 0.00 -1.09 0.00 0.00 33.01 32.25 3kjp s GLN 160 CO -0.24 -0.58 0.07 0.71 -1.32 0.00 0.00 175.29 173.93 3kjp s TYR 161 N -3.58 3.29 0.23 9.60 2.02 -1.26 -1.10 117.35 126.55 3kjp s TYR 161 Ca 0.06 0.25 -0.21 0.00 -0.37 0.00 0.00 57.07 56.80 3kjp s TYR 161 Cb -0.02 -1.78 0.04 0.00 -0.40 0.00 0.00 41.96 39.80 3kjp s TYR 161 CO -0.05 0.55 0.65 -0.59 -1.57 0.00 0.00 175.55 174.55 3kjp s PHE 162 N -1.08 -0.30 -0.24 2.71 -0.12 -0.31 -4.92 117.98 113.71 3kjp s PHE 162 Ca 0.19 -0.06 -0.10 0.00 -0.05 0.00 0.00 56.93 56.91 3kjp s PHE 162 Cb -0.12 0.62 -0.05 0.00 -0.63 0.00 0.00 43.02 42.84 3kjp s PHE 162 CO 0.09 -1.07 0.15 -0.51 -0.05 0.00 0.00 175.22 173.84 3kjp s ASP 163 N -2.86 6.01 -0.24 1.98 1.01 -1.26 -0.48 116.67 120.84 3kjp s ASP 163 Ca 0.07 0.07 -0.08 0.00 0.71 0.00 0.00 52.55 53.32 3kjp s ASP 163 Cb -0.04 -2.09 -0.04 0.00 1.01 0.00 0.00 42.92 41.77 3kjp s ASP 163 CO -0.01 0.05 0.09 -0.22 0.21 0.00 0.00 175.17 175.28 3kjp s LEU 164 N 1.17 3.65 -0.20 1.23 2.96 0.11 -4.62 118.68 122.99 3kjp s LEU 164 Ca 0.07 -0.09 -0.15 0.00 -0.22 0.00 0.00 54.13 53.74 3kjp s LEU 164 Cb -0.14 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 3kjp s LEU 164 CO 0.05 0.02 0.34 -0.89 -1.32 0.00 0.00 176.35 174.55 3kjp s THR 165 N 1.29 5.25 0.38 3.68 2.01 -1.26 -0.92 115.64 126.07 3kjp s THR 165 Ca 0.05 0.59 -0.14 0.00 0.31 0.00 0.00 61.69 62.51 3kjp s THR 165 Cb -0.15 -3.67 0.05 0.00 0.01 0.00 0.00 72.50 68.74 3kjp s THR 165 CO 0.04 0.30 0.75 0.00 -0.69 0.00 0.00 174.62 175.02 3kjp s GLN 167 N -2.38 2.75 -0.12 0.00 0.74 -0.28 -0.79 119.66 119.58 3kjp s GLN 167 Ca 0.18 -0.67 -0.27 0.00 0.05 0.00 0.00 55.36 54.65 3kjp s GLN 167 Cb -0.04 -2.47 -0.02 0.00 1.10 0.00 0.00 33.01 31.57 3kjp s GLN 167 CO 0.13 0.53 0.88 -1.17 -0.55 0.00 0.00 175.29 175.11 3kjp s LEU 168 N -0.48 4.23 -0.11 3.68 2.96 -0.26 -1.98 118.68 126.72 3kjp s LEU 168 Ca 0.06 1.32 0.09 0.00 -0.22 0.00 0.00 54.13 55.38 3kjp s LEU 168 Cb -0.12 -3.34 -0.13 0.00 0.50 0.00 0.00 46.19 43.10 3kjp s LEU 168 CO 0.02 -0.37 0.02 0.18 -1.32 0.00 0.00 176.35 174.88 3kjp n LEU 169 N 4.88 0.27 -3.72 -0.68 4.77 0.14 -0.04 117.00 122.63 3kjp n LEU 169 Ca 0.05 -0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.92 3kjp n LEU 169 Cb 0.49 0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.72 3kjp n LEU 169 CO 0.49 0.31 0.06 -0.83 -1.33 0.00 0.00 177.39 176.09 3kjp s GLY 170 N -4.40 -0.14 0.01 -0.72 0.00 -0.83 -4.09 107.32 97.15 3kjp s GLY 170 Ca -0.06 -0.13 0.01 0.00 0.00 0.00 0.00 44.72 44.54 3kjp s GLY 170 CO 0.42 -0.36 -0.04 0.54 0.00 0.00 0.00 173.10 173.67 3kjp s LYS 171 N -3.31 0.32 -0.18 2.90 1.02 -0.73 -0.81 119.74 118.94 3kjp s LYS 171 Ca 0.00 -0.37 -0.11 0.00 0.02 0.00 0.00 55.97 55.51 3kjp s LYS 171 Cb 0.02 -0.17 0.06 0.00 -0.52 0.00 0.00 37.83 37.21 3kjp s LYS 171 CO -0.08 0.03 0.44 0.00 -0.92 0.00 0.00 175.35 174.83 3kjp s ALA 172 N -0.69 -1.14 0.65 5.17 0.00 -0.57 -0.73 121.76 124.44 3kjp s ALA 172 Ca -0.05 1.58 -0.17 0.00 0.00 0.00 0.00 51.96 53.32 3kjp s ALA 172 Cb -0.05 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.11 3kjp s ALA 172 CO -0.00 -0.27 1.16 -1.21 0.00 0.00 0.00 175.76 175.44 3kjp s GLU 173 N 1.24 2.74 0.00 0.00 0.41 -1.26 -1.32 118.70 120.51 3kjp s GLU 173 Ca -0.08 1.63 0.00 0.00 -0.41 0.00 0.00 54.97 56.11 3kjp s GLU 173 Cb -0.07 -1.92 0.00 0.00 -1.78 0.00 0.00 34.13 30.36 3kjp s GLU 173 CO -0.11 -1.34 0.00 0.28 -0.49 0.00 0.00 175.26 173.60 3kjp n VAL 174 N -2.13 0.00 -2.17 2.63 0.31 -1.24 -4.80 118.33 110.93 3kjp n VAL 174 Ca 0.12 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.45 3kjp n VAL 174 Cb 0.51 -0.68 -0.01 0.00 -0.91 0.00 0.00 33.84 32.74 3kjp n VAL 174 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3kjp n ASP 175 N -2.23 0.10 0.00 4.52 5.68 -1.23 -5.03 116.55 118.36 3kjp n ASP 175 Ca 0.00 -1.83 0.00 0.00 -0.50 0.00 0.00 54.79 52.46 3kjp n ASP 175 Cb 0.00 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 3kjp n ASP 175 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kjp n GLY 176 N 0.17 1.44 0.10 6.12 0.00 -1.26 -4.50 105.19 107.26 3kjp n GLY 176 Ca -0.05 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.09 3kjp n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kjp n ALA 177 N 0.00 2.20 -2.27 4.61 0.00 -1.26 -4.84 120.51 118.95 3kjp n ALA 177 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 53.44 53.35 3kjp n ALA 177 Cb 0.00 -1.46 -0.09 0.00 0.00 0.00 0.00 19.45 17.90 3kjp n ALA 177 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3kjp s SER 178 N -4.44 0.32 -0.13 0.00 1.04 -1.26 -1.33 113.70 107.91 3kjp s SER 178 Ca 0.10 -0.97 -0.12 0.00 0.48 0.00 0.00 55.95 55.45 3kjp s SER 178 Cb 0.12 0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.55 3kjp s SER 178 CO 0.57 -0.69 0.35 0.12 0.98 0.00 0.00 173.24 174.56 3kjp s PHE 179 N -3.94 -0.39 -0.10 5.02 5.36 -0.26 -3.51 117.98 120.15 3kjp s PHE 179 Ca 0.12 0.95 -0.14 0.00 -0.96 0.00 0.00 56.93 56.90 3kjp s PHE 179 Cb 0.07 0.14 -0.05 0.00 -0.34 0.00 0.00 43.02 42.83 3kjp s PHE 179 CO -0.06 -0.19 0.33 -1.17 -1.46 0.00 0.00 175.22 172.67 3kjp s LEU 180 N 0.28 4.35 -0.12 6.12 2.96 -0.44 -0.81 118.68 131.02 3kjp s LEU 180 Ca -0.01 0.69 0.02 0.00 -0.22 0.00 0.00 54.13 54.62 3kjp s LEU 180 Cb -0.03 -2.44 0.01 0.00 0.50 0.00 0.00 46.19 44.23 3kjp s LEU 180 CO -0.00 0.20 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.27 3kjp s LEU 181 N -0.23 1.95 -0.25 -0.68 1.43 -0.02 -1.52 118.68 119.36 3kjp s LEU 181 Ca 0.20 -0.52 -0.08 0.00 -1.03 0.00 0.00 54.13 52.70 3kjp s LEU 181 Cb -0.14 -1.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.75 3kjp s LEU 181 CO 0.08 0.07 0.08 -0.54 0.23 0.00 0.00 176.35 176.27 3kjp s LYS 182 N 0.80 3.70 0.33 1.70 1.02 0.01 -0.57 119.74 126.72 3kjp s LYS 182 Ca -0.09 -0.46 0.03 0.00 0.02 0.00 0.00 55.97 55.48 3kjp s LYS 182 Cb -0.16 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 3kjp s LYS 182 CO 0.00 -0.18 0.13 0.14 -0.92 0.00 0.00 175.35 174.52 3kjp s VAL 183 N 1.62 0.55 0.19 3.17 -7.23 -0.86 -0.68 120.40 117.15 3kjp s VAL 183 Ca 0.06 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.04 3kjp s VAL 183 Cb -0.15 -2.53 0.04 0.00 0.56 0.00 0.00 36.38 34.29 3kjp s VAL 183 CO 0.05 0.00 0.55 -1.66 -0.31 0.00 0.00 175.10 173.72 3kjp s TRP 184 N -3.48 -0.23 0.00 2.82 1.48 -0.84 -1.41 118.94 117.29 3kjp s TRP 184 Ca 0.33 -0.09 0.00 0.00 -1.06 0.00 0.00 56.10 55.28 3kjp s TRP 184 Cb 0.05 0.45 0.00 0.00 -1.16 0.00 0.00 33.47 32.81 3kjp s TRP 184 CO 0.16 -0.91 0.48 -0.40 -4.06 0.00 0.00 176.95 172.22 3kjp n ASP 185 N -0.35 0.34 0.00 -2.66 5.75 -1.26 -1.13 116.55 117.24 3kjp n ASP 185 Ca -0.12 -1.15 0.00 0.00 -0.01 0.00 0.00 54.79 53.52 3kjp n ASP 185 Cb 0.63 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 3kjp n ASP 185 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kjp n GLY 186 N -0.07 0.68 3.39 6.12 0.00 -1.26 -4.52 105.19 109.52 3kjp n GLY 186 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3kjp n GLY 186 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kjp s THR 187 N -2.34 2.01 -0.13 2.61 -4.23 -1.26 -4.67 115.64 107.62 3kjp s THR 187 Ca 0.00 -2.24 -0.06 0.00 -1.18 0.00 0.00 61.69 58.20 3kjp s THR 187 Cb 0.00 -2.11 -0.04 0.00 1.34 0.00 0.00 72.50 71.69 3kjp s THR 187 CO 0.00 -0.49 0.10 -0.13 -0.54 0.00 0.00 174.62 173.56 3kjp s ARG 188 N -3.48 3.54 0.79 3.99 0.52 -1.26 -4.56 118.95 118.49 3kjp s ARG 188 Ca 0.24 -0.23 -0.13 0.00 -0.52 0.00 0.00 55.73 55.09 3kjp s ARG 188 Cb -0.03 -3.15 0.07 0.00 0.52 0.00 0.00 34.95 32.36 3kjp s ARG 188 CO 0.10 0.62 1.17 0.95 0.02 0.00 0.00 175.30 178.15 3kjp s THR 189 N -0.59 2.45 0.39 0.02 -4.23 -1.26 -3.42 115.64 109.00 3kjp s THR 189 Ca 0.12 0.19 0.23 0.00 -1.18 0.00 0.00 61.69 61.04 3kjp s THR 189 Cb -0.12 -2.58 0.24 0.00 1.34 0.00 0.00 72.50 71.38 3kjp s THR 189 CO 0.02 -0.15 2.00 1.55 -0.54 0.00 0.00 174.62 177.50 3kjp h PRO 190 N -0.86 0.00 -5.65 3.99 0.13 -1.78 -3.43 132.00 124.41 3kjp h PRO 190 Ca -0.46 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.21 3kjp h PRO 190 Cb 1.27 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.20 3kjp h PRO 190 CO 0.48 0.18 -0.79 -0.06 -0.23 0.00 0.00 178.00 177.58 3kjp s PHE 191 N -4.22 1.47 0.44 1.56 0.08 -1.26 -5.12 117.98 110.92 3kjp s PHE 191 Ca -0.03 -0.47 -0.25 0.00 0.12 0.00 0.00 56.93 56.30 3kjp s PHE 191 Cb 0.14 -0.80 -0.08 0.00 -0.57 0.00 0.00 43.02 41.70 3kjp s PHE 191 CO 0.63 0.14 1.39 -2.14 -0.10 0.00 0.00 175.22 175.13 3kjp s PRO 192 N -2.05 3.77 0.53 0.24 0.02 -1.26 -4.56 135.00 131.68 3kjp s PRO 192 Ca 0.04 2.33 -0.22 0.00 0.02 0.00 0.00 61.00 63.17 3kjp s PRO 192 Cb -0.09 -2.68 -0.05 0.00 0.02 0.00 0.00 34.50 31.70 3kjp s PRO 192 CO 0.03 -0.72 1.32 0.45 -0.33 0.00 0.00 177.00 177.75 3kjp s SER 193 N -0.59 5.46 0.95 2.53 0.15 -1.26 -0.95 113.70 119.99 3kjp s SER 193 Ca 0.60 2.68 -0.12 0.00 0.70 0.00 0.00 55.95 59.81 3kjp s SER 193 Cb -0.42 -2.63 0.16 0.00 -1.71 0.00 0.00 66.02 61.42 3kjp s SER 193 CO 0.54 -1.43 1.09 -1.66 1.20 0.00 0.00 173.24 172.97 3kjp s TRP 194 N -1.35 2.06 -0.13 3.44 1.48 0.16 -4.69 118.94 119.91 3kjp s TRP 194 Ca 0.70 1.27 -0.01 0.00 -1.06 0.00 0.00 56.10 57.00 3kjp s TRP 194 Cb -0.38 -3.18 0.04 0.00 -1.16 0.00 0.00 33.47 28.79 3kjp s TRP 194 CO 0.45 -2.73 -0.02 1.03 -4.06 0.00 0.00 176.95 171.62 3kjp s ARG 195 N -4.83 1.03 0.13 3.25 1.81 -1.26 -4.26 118.95 114.83 3kjp s ARG 195 Ca 0.65 -0.27 -0.31 0.00 -1.72 0.00 0.00 55.73 54.09 3kjp s ARG 195 Cb -0.20 -1.65 -0.08 0.00 -0.45 0.00 0.00 34.95 32.58 3kjp s ARG 195 CO 0.58 -0.41 1.29 0.08 -0.68 0.00 0.00 175.30 176.16 3kjp s VAL 196 N 1.80 3.52 -0.02 3.52 1.01 -1.26 -4.95 120.40 124.02 3kjp s VAL 196 Ca 0.02 1.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.86 3kjp s VAL 196 Cb -0.14 -3.74 -0.06 0.00 0.00 0.00 0.00 36.38 32.44 3kjp s VAL 196 CO -0.07 0.12 1.65 -0.22 0.00 0.00 0.00 175.10 176.59 3kjp s LEU 197 N 0.59 4.34 0.23 3.92 2.96 -1.26 -4.98 118.68 124.47 3kjp s LEU 197 Ca 0.59 2.31 0.10 0.00 -0.22 0.00 0.00 54.13 56.91 3kjp s LEU 197 Cb -0.34 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.76 3kjp s LEU 197 CO 0.33 -0.91 -0.14 -0.63 -1.32 0.00 0.00 176.35 173.68 3kjp s ILE 198 N 3.64 2.87 0.84 6.68 -1.09 -1.26 -5.03 121.20 127.85 3kjp s ILE 198 Ca 0.74 -1.99 -0.13 0.00 -2.23 0.00 0.00 60.65 57.04 3kjp s ILE 198 Cb -0.35 -2.46 0.11 0.00 -1.58 0.00 0.00 42.46 38.18 3kjp s ILE 198 CO 0.31 -0.24 1.21 -1.10 -1.23 0.00 0.00 174.94 173.88 3kjp s GLN 199 N -3.14 1.61 0.00 2.79 -0.21 -1.26 -5.05 119.66 114.39 3kjp s GLN 199 Ca 0.27 -0.08 0.00 0.00 0.02 0.00 0.00 55.36 55.57 3kjp s GLN 199 Cb -0.07 -1.94 0.00 0.00 1.00 0.00 0.00 33.01 32.00 3kjp s GLN 199 CO 0.15 -1.80 0.00 -3.47 -2.12 0.00 0.00 175.29 168.05 3kjp n ASP 200 N -3.41 0.00 0.00 5.90 -0.08 -1.26 -3.82 116.55 113.88 3kjp n ASP 200 Ca 0.10 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.43 3kjp n ASP 200 Cb 0.61 0.00 0.27 0.00 2.34 0.00 0.00 41.12 44.34 3kjp n ASP 200 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 3kjp n LEU 201 N 0.00 0.00 -0.14 -2.67 0.00 -1.26 -3.80 117.00 109.13 3kjp n LEU 201 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 56.01 55.92 3kjp n LEU 201 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 43.42 43.47 3kjp n LEU 201 CO 0.00 0.00 0.73 0.58 0.00 0.00 0.00 177.39 178.70 3kjp h VAL 202 N 0.00 1.27 -2.74 1.96 2.07 -1.97 -3.43 116.25 113.41 3kjp h VAL 202 Ca 0.00 -1.29 -0.55 0.00 0.82 0.00 0.00 66.70 65.68 3kjp h VAL 202 Cb 0.00 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3kjp h VAL 202 CO 0.00 0.45 0.99 -0.22 0.02 0.00 0.00 177.57 178.80 3kjp s LEU 203 N -9.08 4.31 -0.13 2.57 2.96 -1.25 -4.47 118.68 113.58 3kjp s LEU 203 Ca -0.11 2.16 -0.05 0.00 -0.22 0.00 0.00 54.13 55.91 3kjp s LEU 203 Cb 0.13 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.24 3kjp s LEU 203 CO 0.85 -0.84 0.03 -1.83 -1.32 0.00 0.00 176.35 173.24 3kjp s GLU 204 N 3.38 3.49 0.00 1.98 -1.05 0.09 -4.94 118.70 121.65 3kjp s GLU 204 Ca 0.68 -0.37 0.00 0.00 -0.15 0.00 0.00 54.97 55.13 3kjp s GLU 204 Cb -0.32 -3.00 0.00 0.00 -0.44 0.00 0.00 34.13 30.37 3kjp s GLU 204 CO 0.27 0.49 0.00 0.41 0.95 0.00 0.00 175.26 177.38 3kjp n GLY 205 N 2.84 1.04 3.56 -3.83 0.00 -1.26 -1.78 105.19 105.76 3kjp n GLY 205 Ca -0.18 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.52 3kjp n GLY 205 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kjp s ASP 206 N 0.00 6.17 0.22 1.61 -1.08 -1.26 -4.86 116.67 117.47 3kjp s ASP 206 Ca 0.00 -1.33 -0.07 0.00 -0.52 0.00 0.00 52.55 50.62 3kjp s ASP 206 Cb 0.00 -2.57 0.36 0.00 -1.46 0.00 0.00 42.92 39.26 3kjp s ASP 206 CO 0.00 -1.82 1.72 -0.07 0.52 0.00 0.00 175.17 175.52 3kjp h LEU 207 N 14.09 0.14 -0.90 -1.34 3.38 -1.94 -0.85 115.31 127.89 3kjp h LEU 207 Ca 0.19 0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.19 3kjp h LEU 207 Cb 1.00 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 3kjp h LEU 207 CO 1.38 0.06 -0.01 0.77 0.09 0.00 0.00 178.44 180.73 3kjp h SER 208 N 0.35 0.77 -0.02 -0.43 4.64 -1.99 0.54 113.55 117.42 3kjp h SER 208 Ca 0.36 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3kjp h SER 208 Cb 0.53 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3kjp h SER 208 CO -0.40 0.84 0.01 -0.74 -0.87 0.00 0.00 176.83 175.67 3kjp h HIS 209 N 0.74 0.03 -0.46 4.77 -0.00 -1.72 -0.53 115.15 117.98 3kjp h HIS 209 Ca 0.14 -0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.58 3kjp h HIS 209 Cb 0.46 -0.01 -0.06 0.00 -0.00 0.00 0.00 27.41 27.81 3kjp h HIS 209 CO 0.02 0.21 0.15 0.82 -0.00 0.00 0.00 177.93 179.13 3kjp h ILE 210 N -0.15 0.82 -0.44 6.26 2.04 -0.91 -1.32 117.51 123.81 3kjp h ILE 210 Ca 0.01 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.77 3kjp h ILE 210 Cb 0.19 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3kjp h ILE 210 CO -0.00 0.06 0.27 0.45 0.00 0.00 0.00 178.15 178.93 3kjp h HIS 211 N 0.31 0.52 -0.32 1.37 3.86 -0.70 -2.48 115.15 117.71 3kjp h HIS 211 Ca 0.22 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 3kjp h HIS 211 Cb 0.24 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 3kjp h HIS 211 CO -0.17 0.31 0.11 0.00 0.86 0.00 0.00 177.93 179.04 3kjp h ARG 212 N 0.56 0.45 0.00 2.45 3.08 -0.50 -2.45 114.38 117.96 3kjp h ARG 212 Ca 0.17 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 3kjp h ARG 212 Cb -0.03 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 3kjp h ARG 212 CO -0.06 0.39 -0.16 -0.07 -1.07 0.00 0.00 179.97 179.00 3kjp h LEU 213 N 0.45 0.00 0.00 3.04 3.38 -0.80 -3.47 115.31 117.90 3kjp h LEU 213 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3kjp h LEU 213 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3kjp h LEU 213 CO -0.01 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.68 3kjp n GLN 214 N -3.30 0.00 0.00 1.13 6.02 -0.92 -1.55 117.38 118.76 3kjp n GLN 214 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.03 3kjp n GLN 214 Cb 0.41 0.00 0.23 0.00 1.02 0.00 0.00 30.24 31.89 3kjp n GLN 214 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kjp n ASN 215 N 3.93 0.00 0.16 1.08 5.03 -1.26 -2.23 115.26 121.96 3kjp n ASN 215 Ca 0.00 -1.25 0.02 0.00 0.87 0.00 0.00 54.58 54.22 3kjp n ASN 215 Cb 0.00 0.00 0.25 0.00 -1.02 0.00 0.00 39.78 39.01 3kjp n ASN 215 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3kjp h LEU 216 N 0.00 0.00-10.13 3.41 3.38 -1.60 -3.41 115.31 106.96 3kjp h LEU 216 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 3kjp h LEU 216 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kjp h LEU 216 CO 0.00 0.51 -0.10 0.42 0.09 0.00 0.00 178.44 179.36 3kjp s THR 217 N -3.66 5.00 0.19 0.22 -4.23 -0.95 -4.51 115.64 107.70 3kjp s THR 217 Ca -0.01 0.09 0.08 0.00 -1.18 0.00 0.00 61.69 60.66 3kjp s THR 217 Cb 0.12 -3.75 -0.04 0.00 1.34 0.00 0.00 72.50 70.17 3kjp s THR 217 CO 0.73 -0.39 -0.15 0.27 -0.54 0.00 0.00 174.62 174.54 3kjp s ILE 218 N -2.17 1.68 -0.21 2.99 -0.00 -0.50 -4.78 121.20 118.21 3kjp s ILE 218 Ca 0.45 -2.10 -0.08 0.00 -0.00 0.00 0.00 60.65 58.91 3kjp s ILE 218 Cb -0.11 -1.95 -0.04 0.00 -0.00 0.00 0.00 42.46 40.37 3kjp s ILE 218 CO 0.31 -0.54 0.09 -1.81 -0.00 0.00 0.00 174.94 173.00 3kjp s ASP 219 N -3.11 5.68 -0.13 4.36 1.11 -1.26 -2.03 116.67 121.30 3kjp s ASP 219 Ca 0.20 0.04 0.02 0.00 0.18 0.00 0.00 52.55 52.99 3kjp s ASP 219 Cb -0.02 -2.00 -0.00 0.00 1.07 0.00 0.00 42.92 41.97 3kjp s ASP 219 CO 0.06 0.11 -0.19 -0.63 1.18 0.00 0.00 175.17 175.70 3kjp s ILE 220 N 0.77 2.41 -0.23 0.77 1.01 0.26 -4.12 121.20 122.08 3kjp s ILE 220 Ca 0.05 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 59.75 3kjp s ILE 220 Cb -0.13 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 3kjp s ILE 220 CO 0.02 0.54 0.08 -0.22 0.00 0.00 0.00 174.94 175.36 3kjp s LEU 221 N 0.60 3.62 0.08 2.97 2.96 -0.79 -0.84 118.68 127.29 3kjp s LEU 221 Ca -0.11 -0.09 0.04 0.00 -0.22 0.00 0.00 54.13 53.75 3kjp s LEU 221 Cb -0.16 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 3kjp s LEU 221 CO 0.03 0.03 0.04 0.68 -1.32 0.00 0.00 176.35 175.81 3kjp s VAL 222 N 1.22 4.26 0.26 1.68 -7.23 0.01 -1.39 120.40 119.21 3kjp s VAL 222 Ca 0.05 -0.87 0.09 0.00 -1.81 0.00 0.00 61.98 59.44 3kjp s VAL 222 Cb -0.14 -3.03 -0.05 0.00 0.56 0.00 0.00 36.38 33.71 3kjp s VAL 222 CO 0.04 0.14 -0.13 -0.31 -0.31 0.00 0.00 175.10 174.53 3kjp s TYR 223 N -1.33 1.99 0.00 2.82 1.51 -0.88 -1.11 117.35 120.35 3kjp s TYR 223 Ca 0.27 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 3kjp s TYR 223 Cb -0.12 -1.00 0.00 0.00 -0.11 0.00 0.00 41.96 40.73 3kjp s TYR 223 CO 0.20 0.44 0.00 -0.25 -1.11 0.00 0.00 175.55 174.83 3kjp n ASP 224 N -0.54 0.00 0.32 2.29 8.00 -0.44 -1.25 116.55 124.93 3kjp n ASP 224 Ca -0.06 0.00 0.20 0.00 0.71 0.00 0.00 54.79 55.64 3kjp n ASP 224 Cb 0.62 0.00 1.11 0.00 -0.02 0.00 0.00 41.12 42.82 3kjp n ASP 224 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3kjp h ASN 225 N 0.00 0.00 1.45 -2.24 -1.07 -1.94 -1.74 115.58 110.04 3kjp h ASN 225 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3kjp h ASN 225 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 3kjp h ASN 225 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.43 177.95 3kjp h HIS 226 N 0.00 0.00 -0.28 4.14 3.86 -1.54 -3.35 115.15 117.97 3kjp h HIS 226 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3kjp h HIS 226 Cb 0.03 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 3kjp h HIS 226 CO 0.00 0.00 0.18 0.28 0.86 0.00 0.00 177.93 179.25 3kjp h VAL 227 N 0.00 1.09 -0.15 2.45 2.07 -1.45 -0.91 116.25 119.35 3kjp h VAL 227 Ca 0.00 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 3kjp h VAL 227 Cb 0.73 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3kjp h VAL 227 CO 0.00 0.08 -0.24 1.12 0.02 0.00 0.00 177.57 178.55 3kjp h HIS 228 N 0.37 0.30 -0.07 1.57 2.07 -1.78 0.17 115.15 117.79 3kjp h HIS 228 Ca 0.10 -0.05 -0.01 0.00 -2.85 0.00 0.00 60.37 57.56 3kjp h HIS 228 Cb -0.02 -0.08 -0.00 0.00 2.57 0.00 0.00 27.41 29.88 3kjp h HIS 228 CO -0.05 0.50 -0.00 0.28 -3.07 0.00 0.00 177.93 175.59 3kjp h VAL 229 N 0.25 1.25 -0.69 6.12 2.07 -1.72 -2.72 116.25 120.82 3kjp h VAL 229 Ca 0.04 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 66.81 3kjp h VAL 229 Cb 0.57 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 3kjp h VAL 229 CO 0.04 0.22 0.43 0.00 0.02 0.00 0.00 177.57 178.28 3kjp h ALA 230 N 0.72 0.90 -0.12 1.67 0.00 -0.73 -1.90 119.26 119.79 3kjp h ALA 230 Ca 0.02 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3kjp h ALA 230 Cb 0.34 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3kjp h ALA 230 CO 0.00 0.20 0.10 -0.09 0.00 0.00 0.00 179.25 179.47 3kjp h ARG 231 N 0.84 0.00 0.00 0.00 2.43 -0.57 -2.31 114.38 114.77 3kjp h ARG 231 Ca 0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3kjp h ARG 231 Cb 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3kjp h ARG 231 CO -0.11 0.00 -0.42 -1.13 -1.51 0.00 0.00 179.97 176.81 3kjp n SER 232 N -4.21 0.45 -4.76 -3.80 3.41 -0.73 -4.95 113.62 99.03 3kjp n SER 232 Ca -0.00 -0.01 -0.38 0.00 -0.26 0.00 0.00 58.87 58.21 3kjp n SER 232 Cb 0.22 0.06 0.01 0.00 -0.26 0.00 0.00 64.21 64.24 3kjp n SER 232 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3kjp s LEU 233 N -3.27 3.99 -0.19 1.04 1.43 -0.87 -4.99 118.68 115.83 3kjp s LEU 233 Ca 0.11 2.55 -0.19 0.00 -1.03 0.00 0.00 54.13 55.57 3kjp s LEU 233 Cb 0.17 -4.19 -0.03 0.00 0.03 0.00 0.00 46.19 42.17 3kjp s LEU 233 CO 0.67 -1.15 0.53 -0.75 0.23 0.00 0.00 176.35 175.88 3kjp s LYS 234 N -2.69 4.22 0.32 1.70 2.20 -1.26 -5.03 119.74 119.20 3kjp s LYS 234 Ca 0.65 0.45 -0.29 0.00 -0.36 0.00 0.00 55.97 56.42 3kjp s LYS 234 Cb -0.35 -3.54 -0.11 0.00 -1.51 0.00 0.00 37.83 32.31 3kjp s LYS 234 CO 0.42 -0.11 1.57 0.08 -0.36 0.00 0.00 175.35 176.95 3kjp s VAL 235 N 1.51 2.03 0.00 4.02 1.01 -1.26 -1.95 120.40 125.76 3kjp s VAL 235 Ca 0.25 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.25 3kjp s VAL 235 Cb -0.15 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.21 3kjp s VAL 235 CO 0.10 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.81 3kjp n GLY 236 N 1.66 1.91 3.80 4.51 0.00 0.95 -5.02 105.19 113.00 3kjp n GLY 236 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 3kjp n GLY 236 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kjp s SER 237 N -1.48 4.22 -0.10 1.61 1.04 -0.82 -4.68 113.70 113.49 3kjp s SER 237 Ca 0.00 1.18 -0.03 0.00 0.48 0.00 0.00 55.95 57.58 3kjp s SER 237 Cb 0.00 -1.86 -0.03 0.00 0.10 0.00 0.00 66.02 64.22 3kjp s SER 237 CO 0.00 -2.12 0.03 -0.36 0.98 0.00 0.00 173.24 171.77 3kjp s PHE 238 N -3.21 3.26 0.15 5.02 0.08 -1.26 -1.11 117.98 120.91 3kjp s PHE 238 Ca 0.62 0.25 0.05 0.00 0.12 0.00 0.00 56.93 57.96 3kjp s PHE 238 Cb -0.14 -1.84 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 3kjp s PHE 238 CO 0.54 0.49 -0.12 -0.51 -0.10 0.00 0.00 175.22 175.52 3kjp s LEU 239 N -0.80 2.50 -0.14 -0.37 1.43 0.03 0.09 118.68 121.42 3kjp s LEU 239 Ca 0.12 -0.95 0.01 0.00 -1.03 0.00 0.00 54.13 52.28 3kjp s LEU 239 Cb -0.12 -0.44 0.02 0.00 0.03 0.00 0.00 46.19 45.68 3kjp s LEU 239 CO 0.03 -0.26 -0.16 -0.60 0.23 0.00 0.00 176.35 175.59 3kjp s ARG 240 N -3.42 2.45 -0.33 1.70 3.52 -0.12 -1.35 118.95 121.39 3kjp s ARG 240 Ca 0.15 -0.62 -0.06 0.00 -0.13 0.00 0.00 55.73 55.06 3kjp s ARG 240 Cb -0.00 -2.15 0.03 0.00 -1.56 0.00 0.00 34.95 31.27 3kjp s ARG 240 CO 0.02 -0.18 0.10 0.42 -0.81 0.00 0.00 175.30 174.85 3kjp s ILE 241 N 1.29 3.82 0.05 4.11 1.01 -0.09 -1.56 121.20 129.82 3kjp s ILE 241 Ca 0.01 -1.01 -0.24 0.00 0.00 0.00 0.00 60.65 59.42 3kjp s ILE 241 Cb -0.14 -3.11 -0.06 0.00 0.01 0.00 0.00 42.46 39.17 3kjp s ILE 241 CO -0.08 -0.10 0.71 -0.31 0.00 0.00 0.00 174.94 175.16 3kjp s TYR 242 N 1.43 3.75 -1.37 3.97 2.02 0.12 -0.71 117.35 126.56 3kjp s TYR 242 Ca -0.00 1.42 -0.07 0.00 -0.37 0.00 0.00 57.07 58.04 3kjp s TYR 242 Cb -0.19 -2.74 0.03 0.00 -0.40 0.00 0.00 41.96 38.65 3kjp s TYR 242 CO 0.03 0.34 1.05 0.45 -1.57 0.00 0.00 175.55 175.85 3kjp n SER 243 N 2.58 -4.61 -4.77 2.29 2.88 -1.03 -2.96 113.62 107.99 3kjp n SER 243 Ca -0.04 -0.64 -0.36 0.00 -1.33 0.00 0.00 58.87 56.49 3kjp n SER 243 Cb 0.50 -4.67 -0.00 0.00 -0.75 0.00 0.00 64.21 59.30 3kjp n SER 243 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3kjp s LEU 244 N -7.06 3.89 -0.13 2.46 2.96 0.37 -4.69 118.68 116.48 3kjp s LEU 244 Ca 0.43 2.28 0.02 0.00 -0.22 0.00 0.00 54.13 56.64 3kjp s LEU 244 Cb -0.20 -4.39 -0.00 0.00 0.50 0.00 0.00 46.19 42.10 3kjp s LEU 244 CO 0.76 -1.08 -0.20 -2.28 -1.32 0.00 0.00 176.35 172.23 3kjp s HIS 245 N -1.62 2.68 0.04 5.38 5.65 0.04 -1.17 115.29 126.28 3kjp s HIS 245 Ca 0.68 -1.04 -0.04 0.00 0.25 0.00 0.00 55.06 54.91 3kjp s HIS 245 Cb -0.27 -1.80 -0.05 0.00 -1.18 0.00 0.00 32.58 29.29 3kjp s HIS 245 CO 0.32 -0.44 0.25 0.95 -0.65 0.00 0.00 174.74 175.17 3kjp s THR 246 N 0.55 5.33 -0.13 0.89 -4.23 -0.25 -0.96 115.64 116.84 3kjp s THR 246 Ca -0.12 -0.05 -0.05 0.00 -1.18 0.00 0.00 61.69 60.29 3kjp s THR 246 Cb -0.17 -3.58 0.06 0.00 1.34 0.00 0.00 72.50 70.16 3kjp s THR 246 CO 0.04 0.26 0.27 -0.75 -0.54 0.00 0.00 174.62 173.89 3kjp s LYS 247 N -2.10 0.15 -0.02 3.99 2.20 -0.52 -3.32 119.74 120.12 3kjp s LYS 247 Ca 0.31 0.75 -0.30 0.00 -0.36 0.00 0.00 55.97 56.37 3kjp s LYS 247 Cb -0.13 -0.02 -0.03 0.00 -1.51 0.00 0.00 37.83 36.14 3kjp s LYS 247 CO 0.21 -0.28 1.03 -1.17 -0.36 0.00 0.00 175.35 174.77 3kjp s LEU 248 N 2.39 4.33 -0.17 5.43 2.96 -0.55 -0.45 118.68 132.63 3kjp s LEU 248 Ca 0.01 1.68 -0.06 0.00 -0.22 0.00 0.00 54.13 55.54 3kjp s LEU 248 Cb -0.12 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 3kjp s LEU 248 CO -0.09 -0.35 0.03 -1.58 -1.32 0.00 0.00 176.35 173.05 3kjp s GLN 249 N 1.34 3.83 0.00 1.98 2.00 0.69 -4.95 119.66 124.54 3kjp s GLN 249 Ca 0.52 -0.39 0.00 0.00 -2.00 0.00 0.00 55.36 53.49 3kjp s GLN 249 Cb -0.22 -3.11 0.00 0.00 0.80 0.00 0.00 33.01 30.49 3kjp s GLN 249 CO 0.25 0.31 0.65 -1.13 -0.50 0.00 0.00 175.29 174.87 3kjp n SER 250 N 3.40 1.29 -3.67 6.67 3.41 -1.25 -1.91 113.62 121.57 3kjp n SER 250 Ca -0.17 -1.29 -0.18 0.00 -0.26 0.00 0.00 58.87 56.96 3kjp n SER 250 Cb 0.52 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.31 3kjp n SER 250 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3kjp s MET 251 N -0.29 -0.02 0.89 4.33 -2.45 -1.26 -1.58 119.30 118.91 3kjp s MET 251 Ca 0.00 0.48 -0.11 0.00 -1.25 0.00 0.00 55.69 54.80 3kjp s MET 251 Cb 0.00 -0.39 0.18 0.00 1.25 0.00 0.00 34.83 35.87 3kjp s MET 251 CO 0.00 -0.32 1.22 0.54 1.05 0.00 0.00 175.02 177.51 3kjp s ASN 252 N 2.24 3.52 0.50 1.11 2.20 -0.23 -4.91 114.94 119.37 3kjp s ASN 252 Ca 0.04 0.10 0.34 0.00 -0.94 0.00 0.00 52.86 52.39 3kjp s ASN 252 Cb -0.12 -0.25 1.78 0.00 -2.00 0.00 0.00 41.25 40.66 3kjp s ASN 252 CO -0.05 -2.45 2.03 0.77 -2.94 0.00 0.00 177.10 174.46 3kjp h SER 253 N -1.30 0.00 -0.62 3.54 4.64 -2.02 -0.71 113.55 117.08 3kjp h SER 253 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3kjp h SER 253 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3kjp h SER 253 CO 0.39 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.73 3kjp n GLU 254 N -2.72 4.23 -2.74 4.77 1.02 -1.26 -4.94 120.64 119.01 3kjp n GLU 254 Ca -0.02 -3.02 -0.20 0.00 -0.02 0.00 0.00 57.16 53.90 3kjp n GLU 254 Cb 0.09 -2.06 0.02 0.00 -0.02 0.00 0.00 31.44 29.47 3kjp n GLU 254 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3kjp n ASN 255 N 0.89 -5.72 -4.81 1.62 5.03 -0.27 -5.01 115.26 106.98 3kjp n ASN 255 Ca 0.27 -0.17 -0.33 0.00 0.87 0.00 0.00 54.58 55.22 3kjp n ASN 255 Cb 1.03 -4.63 -0.06 0.00 -1.02 0.00 0.00 39.78 35.09 3kjp n ASN 255 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3kjp s GLN 256 N -5.37 3.14 0.11 3.52 -0.21 -1.26 -4.87 119.66 114.72 3kjp s GLN 256 Ca 0.17 -0.46 -0.30 0.00 0.02 0.00 0.00 55.36 54.79 3kjp s GLN 256 Cb -0.08 -2.91 -0.06 0.00 1.00 0.00 0.00 33.01 30.97 3kjp s GLN 256 CO 0.22 0.65 0.95 0.99 -2.12 0.00 0.00 175.29 175.97 3kjp s THR 257 N -1.25 4.51 0.00 -0.19 2.01 -1.26 -1.06 115.64 118.40 3kjp s THR 257 Ca 0.25 2.05 0.00 0.00 0.31 0.00 0.00 61.69 64.30 3kjp s THR 257 Cb -0.12 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.07 3kjp s THR 257 CO 0.16 0.32 0.00 1.15 -0.69 0.00 0.00 174.62 175.56 3kjp n MET 258 N 2.79 0.00 -3.67 4.92 0.00 -0.61 -4.94 117.12 115.61 3kjp n MET 258 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 57.70 57.56 3kjp n MET 258 Cb 0.49 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.56 3kjp n MET 258 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3kjp s LEU 259 N 0.00 -0.09 0.02 3.17 1.43 -1.25 -3.97 118.68 117.98 3kjp s LEU 259 Ca 0.00 0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 53.34 3kjp s LEU 259 Cb 0.00 0.32 0.02 0.00 0.03 0.00 0.00 46.19 46.56 3kjp s LEU 259 CO 0.00 -0.24 0.26 -0.94 0.23 0.00 0.00 176.35 175.66 3kjp s SER 260 N 2.29 -0.09 -0.24 2.29 1.04 -0.80 -4.63 113.70 113.56 3kjp s SER 260 Ca 0.03 -0.14 -0.08 0.00 0.48 0.00 0.00 55.95 56.23 3kjp s SER 260 Cb -0.12 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 3kjp s SER 260 CO -0.06 -0.52 0.10 -0.22 0.98 0.00 0.00 173.24 173.53 3kjp s LEU 261 N -1.74 3.70 0.18 2.42 2.96 -0.13 -0.22 118.68 125.85 3kjp s LEU 261 Ca -0.09 -0.08 -0.04 0.00 -0.22 0.00 0.00 54.13 53.70 3kjp s LEU 261 Cb -0.03 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 3kjp s LEU 261 CO -0.00 0.01 0.40 -1.61 -1.32 0.00 0.00 176.35 173.83 3kjp s GLU 262 N 1.36 3.59 -0.10 1.98 2.02 0.41 -0.67 118.70 127.29 3kjp s GLU 262 Ca 0.06 -0.15 -0.01 0.00 0.02 0.00 0.00 54.97 54.90 3kjp s GLU 262 Cb -0.15 -2.82 0.03 0.00 0.10 0.00 0.00 34.13 31.29 3kjp s GLU 262 CO 0.05 0.42 -0.06 -0.06 0.02 0.00 0.00 175.26 175.63 3kjp s PHE 263 N -1.77 1.27 -0.02 1.61 0.08 -1.26 -1.44 117.98 116.45 3kjp s PHE 263 Ca 0.41 -0.58 0.06 0.00 0.12 0.00 0.00 56.93 56.93 3kjp s PHE 263 Cb -0.12 -1.11 -0.01 0.00 -0.57 0.00 0.00 43.02 41.21 3kjp s PHE 263 CO 0.26 -0.46 -0.18 -1.01 -0.10 0.00 0.00 175.22 173.73 3kjp s HIS 264 N 1.75 1.65 -0.54 0.36 3.76 -0.13 -1.89 115.29 120.25 3kjp s HIS 264 Ca 0.04 -0.33 -0.00 0.00 -0.15 0.00 0.00 55.06 54.62 3kjp s HIS 264 Cb -0.13 -1.07 0.14 0.00 1.11 0.00 0.00 32.58 32.63 3kjp s HIS 264 CO -0.07 -0.04 0.32 -1.17 -0.85 0.00 0.00 174.74 172.93 3kjp s LEU 265 N -0.38 4.93 0.61 0.89 2.96 -0.49 -0.78 118.68 126.43 3kjp s LEU 265 Ca 0.06 -2.73 -0.18 0.00 -0.22 0.00 0.00 54.13 51.06 3kjp s LEU 265 Cb -0.08 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 3kjp s LEU 265 CO -0.00 -0.35 1.22 -1.00 -1.32 0.00 0.00 176.35 174.89 3kjp s HIS 266 N 0.12 2.32 0.85 5.38 3.76 -1.26 -2.07 115.29 124.39 3kjp s HIS 266 Ca 0.15 1.52 -0.13 0.00 -0.15 0.00 0.00 55.06 56.45 3kjp s HIS 266 Cb -0.22 -3.51 0.06 0.00 1.11 0.00 0.00 32.58 30.02 3kjp s HIS 266 CO -0.03 -2.35 0.84 0.41 -0.85 0.00 0.00 174.74 172.76 3kjp n GLY 267 N 0.54 -0.93 0.00 -2.22 0.00 -1.26 -4.79 105.19 96.52 3kjp n GLY 267 Ca 0.14 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3kjp n GLY 267 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kjp n GLY 268 N 0.98 0.43 0.00 -0.02 0.00 -1.26 -4.84 105.19 100.48 3kjp n GLY 268 Ca 0.11 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.15 3kjp n GLY 268 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kjp n THR 269 N 0.45 0.53 -1.65 2.61 -2.24 -1.26 -4.77 114.28 107.95 3kjp n THR 269 Ca 0.00 -0.63 -0.39 0.00 -2.27 0.00 0.00 64.05 60.76 3kjp n THR 269 Cb 0.00 0.81 0.04 0.00 -2.10 0.00 0.00 70.33 69.09 3kjp n THR 269 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3kjp n SER 270 N -0.26 1.37 -0.86 3.42 7.64 -1.26 -2.03 113.62 121.63 3kjp n SER 270 Ca 0.00 0.89 -0.11 0.00 1.01 0.00 0.00 58.87 60.66 3kjp n SER 270 Cb 0.24 -1.43 -0.05 0.00 -1.01 0.00 0.00 64.21 61.96 3kjp n SER 270 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3kjp n TYR 271 N -1.32 -0.04 -0.68 1.43 4.02 -1.26 -2.36 117.16 116.95 3kjp n TYR 271 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.01 3kjp n TYR 271 Cb 0.45 -2.69 0.00 0.00 -0.02 0.00 0.00 39.34 37.08 3kjp n TYR 271 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kjp n GLY 272 N 0.22 0.70 3.66 2.72 0.00 -0.86 -4.71 105.19 106.92 3kjp n GLY 272 Ca -0.11 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.38 3kjp n GLY 272 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kjp n ARG 273 N -2.52 1.43 -3.72 1.61 1.74 -0.99 -4.51 116.66 109.69 3kjp n ARG 273 Ca 0.00 0.52 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 3kjp n ARG 273 Cb 0.00 -2.23 0.00 0.00 -1.02 0.00 0.00 32.46 29.21 3kjp n ARG 273 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kjp n GLY 274 N 3.59 -1.93 2.91 -0.13 0.00 -1.15 -4.61 105.19 103.86 3kjp n GLY 274 Ca 0.22 -1.18 -0.17 0.00 0.00 0.00 0.00 46.02 44.90 3kjp n GLY 274 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kjp s ILE 275 N -2.45 0.36 -0.05 -0.61 1.01 -1.26 -0.70 121.20 117.50 3kjp s ILE 275 Ca 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.55 3kjp s ILE 275 Cb 0.00 -0.35 0.01 0.00 0.01 0.00 0.00 42.46 42.13 3kjp s ILE 275 CO 0.00 0.14 -0.11 -0.60 0.00 0.00 0.00 174.94 174.36 3kjp s ARG 276 N 0.30 1.39 0.03 2.79 3.52 -0.60 -4.94 118.95 121.44 3kjp s ARG 276 Ca -0.03 -0.38 -0.30 0.00 -0.13 0.00 0.00 55.73 54.89 3kjp s ARG 276 Cb -0.07 -1.21 -0.04 0.00 -1.56 0.00 0.00 34.95 32.07 3kjp s ARG 276 CO -0.00 0.08 1.09 0.08 -0.81 0.00 0.00 175.30 175.73 3kjp s VAL 277 N 0.44 4.45 -0.18 7.11 1.01 -1.26 -0.94 120.40 131.03 3kjp s VAL 277 Ca -0.09 1.77 -0.15 0.00 0.00 0.00 0.00 61.98 63.51 3kjp s VAL 277 Cb -0.13 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 3kjp s VAL 277 CO 0.02 0.14 0.35 -0.76 0.00 0.00 0.00 175.10 174.86 3kjp s LEU 278 N 1.00 4.20 0.73 3.92 1.43 0.11 -4.93 118.68 125.14 3kjp s LEU 278 Ca 0.55 0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 54.06 3kjp s LEU 278 Cb -0.25 -2.46 0.03 0.00 0.03 0.00 0.00 46.19 43.54 3kjp s LEU 278 CO 0.29 0.00 1.07 -2.16 0.23 0.00 0.00 176.35 175.78 3kjp s PRO 279 N 0.92 2.66 0.00 1.29 0.04 -1.26 -4.24 135.00 134.42 3kjp s PRO 279 Ca 0.18 0.84 0.16 0.00 0.04 0.00 0.00 61.00 62.23 3kjp s PRO 279 Cb -0.14 -1.97 0.75 0.00 0.04 0.00 0.00 34.50 33.18 3kjp s PRO 279 CO 0.06 -1.26 1.51 0.39 0.04 0.00 0.00 177.00 177.74 3kjp n GLU 280 N -3.22 0.09 -0.01 4.56 1.02 -1.26 -1.70 120.64 120.12 3kjp n GLU 280 Ca 0.07 0.18 0.14 0.00 -0.02 0.00 0.00 57.16 57.53 3kjp n GLU 280 Cb 0.54 -1.50 0.71 0.00 -0.02 0.00 0.00 31.44 31.18 3kjp n GLU 280 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3kjp n SER 281 N -1.42 0.49 -4.70 1.62 3.41 -1.26 -4.75 113.62 107.01 3kjp n SER 281 Ca 0.05 -1.27 -0.40 0.00 -0.26 0.00 0.00 58.87 56.99 3kjp n SER 281 Cb 0.17 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.06 3kjp n SER 281 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3kjp s ASN 282 N -1.86 6.92 0.51 4.04 3.84 -0.69 -4.97 114.94 122.72 3kjp s ASN 282 Ca 0.40 1.11 0.15 0.00 0.21 0.00 0.00 52.86 54.73 3kjp s ASN 282 Cb 0.19 -2.40 1.22 0.00 -0.55 0.00 0.00 41.25 39.72 3kjp s ASN 282 CO 0.32 -0.17 2.13 0.77 -2.79 0.00 0.00 177.10 177.36 3kjp h SER 283 N 6.94 0.06 0.53 -4.21 4.64 -1.89 -0.88 113.55 118.73 3kjp h SER 283 Ca -0.38 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.85 3kjp h SER 283 Cb 1.18 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 3kjp h SER 283 CO 0.77 0.05 -0.40 0.44 -0.87 0.00 0.00 176.83 176.81 3kjp h ASP 284 N 0.08 0.00 -0.14 4.97 3.32 -1.95 -2.35 116.42 120.35 3kjp h ASP 284 Ca 0.04 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.91 3kjp h ASP 284 Cb 0.05 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 3kjp h ASP 284 CO -0.01 0.40 -0.53 0.58 -1.72 0.00 0.00 179.24 177.96 3kjp h VAL 285 N 0.00 1.30 -0.57 -1.35 2.07 -1.48 -1.94 116.25 114.28 3kjp h VAL 285 Ca -0.00 -1.74 0.02 0.00 0.82 0.00 0.00 66.70 65.79 3kjp h VAL 285 Cb 0.77 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 3kjp h VAL 285 CO 0.05 0.56 0.35 0.44 0.02 0.00 0.00 177.57 178.99 3kjp h ASP 286 N 0.56 0.58 -0.41 0.57 3.32 -1.13 -0.04 116.42 119.86 3kjp h ASP 286 Ca 0.02 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 3kjp h ASP 286 Cb 1.11 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 3kjp h ASP 286 CO 0.11 0.41 -0.01 -0.61 -1.72 0.00 0.00 179.24 177.42 3kjp h GLN 287 N 0.70 0.73 -0.37 3.56 5.75 -1.47 -3.06 115.11 120.96 3kjp h GLN 287 Ca 0.23 -0.24 0.03 0.00 -0.15 0.00 0.00 58.65 58.52 3kjp h GLN 287 Cb 0.00 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 3kjp h GLN 287 CO -0.09 0.82 0.17 1.25 -2.65 0.00 0.00 178.83 178.33 3kjp h LEU 288 N 0.57 0.23 -1.22 -2.39 5.85 -0.85 -2.20 115.31 115.29 3kjp h LEU 288 Ca 0.12 0.03 0.14 0.00 0.84 0.00 0.00 57.88 59.01 3kjp h LEU 288 Cb 0.49 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.43 3kjp h LEU 288 CO 0.02 0.17 0.59 0.11 -0.34 0.00 0.00 178.44 178.99 3kjp h LYS 289 N 0.35 0.73 -0.42 1.25 1.57 -0.92 0.29 116.57 119.42 3kjp h LYS 289 Ca 0.16 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.76 3kjp h LYS 289 Cb 0.10 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3kjp h LYS 289 CO -0.13 0.48 -0.29 0.87 -0.57 0.00 0.00 179.45 179.81 3kjp h LYS 290 N 0.75 0.91 -0.46 3.15 1.79 -1.32 -0.77 116.57 120.62 3kjp h LYS 290 Ca 0.47 -0.42 -0.09 0.00 -2.18 0.00 0.00 60.65 58.43 3kjp h LYS 290 Cb 0.70 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.32 3kjp h LYS 290 CO -0.23 1.08 -0.06 -0.44 -1.08 0.00 0.00 179.45 178.72 3kjp h ASP 291 N 0.77 0.78 -0.55 0.86 3.32 -0.73 -1.11 116.42 119.76 3kjp h ASP 291 Ca 0.09 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 56.84 3kjp h ASP 291 Cb 0.86 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 3kjp h ASP 291 CO 0.08 0.89 0.04 -0.07 -1.72 0.00 0.00 179.24 178.45 3kjp h LEU 292 N 0.74 0.92 -0.53 1.55 3.38 -0.78 -0.74 115.31 119.86 3kjp h LEU 292 Ca 0.13 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 3kjp h LEU 292 Cb 0.53 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3kjp h LEU 292 CO 0.03 0.98 0.18 -0.08 0.09 0.00 0.00 178.44 179.64 3kjp h GLU 293 N 0.83 0.81 -0.27 1.13 4.81 -0.86 0.18 114.58 121.20 3kjp h GLU 293 Ca 0.16 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3kjp h GLU 293 Cb 0.48 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 3kjp h GLU 293 CO 0.02 0.73 0.13 1.03 -0.73 0.00 0.00 179.01 180.19 3kjp h SER 294 N 0.72 0.35 -0.29 1.04 0.87 -1.04 -2.69 113.55 112.51 3kjp h SER 294 Ca 0.17 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 3kjp h SER 294 Cb 0.25 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 3kjp h SER 294 CO -0.01 0.38 0.14 0.00 -0.53 0.00 0.00 176.83 176.81 3kjp h ALA 295 N 0.99 0.38 -0.98 6.23 0.00 -0.93 -2.94 119.26 122.01 3kjp h ALA 295 Ca 0.09 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.07 3kjp h ALA 295 Cb 0.12 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.70 3kjp h ALA 295 CO -0.01 -0.06 0.61 -0.91 0.00 0.00 0.00 179.25 178.88 3kjp h ASN 296 N 0.34 0.79 -0.49 0.00 2.35 -0.49 -0.61 115.58 117.46 3kjp h ASN 296 Ca 0.10 0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.88 3kjp h ASN 296 Cb 0.11 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 3kjp h ASN 296 CO -0.01 0.35 0.16 -0.07 -1.65 0.00 0.00 177.43 176.20 3kjp h LEU 297 N 0.80 0.76 -0.01 1.61 3.38 -1.29 -3.07 115.31 117.49 3kjp h LEU 297 Ca 0.53 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.36 3kjp h LEU 297 Cb 0.77 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3kjp h LEU 297 CO -0.30 0.73 -0.06 0.74 0.09 0.00 0.00 178.44 179.63 3kjp h THR 298 N 0.80 1.50 0.00 0.22 2.02 -1.15 -3.52 112.91 112.78 3kjp h THR 298 Ca 0.18 -1.58 0.00 0.00 0.77 0.00 0.00 66.41 65.78 3kjp h THR 298 Cb 0.25 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 3kjp h THR 298 CO -0.01 0.42 0.00 0.00 0.37 0.00 0.00 175.52 176.30