#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4v s PHE 26 N 0.00 3.29 0.02 0.00 0.40 -1.26 -5.05 117.98 115.38 1i4v s PHE 26 Ca 0.00 0.02 -0.12 0.00 -0.60 0.00 0.00 56.93 56.23 1i4v s PHE 26 Cb 0.00 -1.56 -0.07 0.00 0.51 0.00 0.00 43.02 41.90 1i4v s PHE 26 CO 0.00 0.51 1.12 -1.35 0.70 0.00 0.00 175.22 176.20 1i4v h PRO 27 N 2.10 -0.43 -2.18 0.24 0.11 -2.14 -3.39 132.00 126.31 1i4v h PRO 27 Ca -0.48 0.03 -0.58 0.00 0.11 0.00 0.00 66.00 65.07 1i4v h PRO 27 Cb 1.21 0.10 -0.40 0.00 0.11 0.00 0.00 31.00 32.01 1i4v h PRO 27 CO 0.65 -0.28 -0.86 0.43 -0.21 0.00 0.00 178.00 177.72 1i4v n SER 28 N -3.25 1.69 -4.72 -2.05 7.64 -1.26 -5.09 113.62 106.57 1i4v n SER 28 Ca -0.05 -2.99 -0.42 0.00 1.01 0.00 0.00 58.87 56.42 1i4v n SER 28 Cb 0.17 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 62.69 1i4v n SER 28 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1i4v s PRO 29 N -1.59 4.15 0.63 1.43 0.02 -1.26 -5.00 135.00 133.38 1i4v s PRO 29 Ca 0.36 2.54 -0.02 0.00 0.02 0.00 0.00 61.00 63.90 1i4v s PRO 29 Cb 0.14 -3.09 0.13 0.00 0.02 0.00 0.00 34.50 31.70 1i4v s PRO 29 CO -0.08 -0.70 0.87 0.00 -0.33 0.00 0.00 177.00 176.76 1i4v n ALA 30 N 3.73 -0.04 -3.19 -1.55 0.00 -1.26 -5.10 120.51 113.10 1i4v n ALA 30 Ca 0.14 -1.60 0.01 0.00 0.00 0.00 0.00 53.44 51.99 1i4v n ALA 30 Cb 0.36 0.22 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 1i4v n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i4v s ALA 31 N -3.23 -2.19 0.76 0.00 0.00 -1.26 -5.16 121.76 110.68 1i4v s ALA 31 Ca 0.56 0.68 -0.08 0.00 0.00 0.00 0.00 51.96 53.12 1i4v s ALA 31 Cb -0.03 -2.52 0.09 0.00 0.00 0.00 0.00 23.12 20.66 1i4v s ALA 31 CO 0.38 -1.93 1.09 -0.51 0.00 0.00 0.00 175.76 174.78 1i4v s ASP 32 N 2.50 4.47 -0.19 0.00 1.01 -1.26 -4.71 116.67 118.50 1i4v s ASP 32 Ca 0.12 0.42 -0.02 0.00 0.71 0.00 0.00 52.55 53.78 1i4v s ASP 32 Cb -0.09 -0.93 0.01 0.00 1.01 0.00 0.00 42.92 42.91 1i4v s ASP 32 CO -0.21 -1.84 0.04 -1.22 0.21 0.00 0.00 175.17 172.15 1i4v n TYR 33 N -3.11 -2.73 -2.93 4.23 4.02 -1.26 -4.98 117.16 110.39 1i4v n TYR 33 Ca 0.10 1.30 -0.13 0.00 -0.01 0.00 0.00 57.90 59.15 1i4v n TYR 33 Cb 0.60 -2.99 0.02 0.00 -0.02 0.00 0.00 39.34 36.95 1i4v n TYR 33 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 1i4v n VAL 34 N 1.13 0.22 -2.71 -0.72 0.24 -1.26 -5.11 118.33 110.13 1i4v n VAL 34 Ca -0.06 -3.46 -0.40 0.00 -2.04 0.00 0.00 64.34 58.37 1i4v n VAL 34 Cb 0.23 0.36 -0.06 0.00 -1.47 0.00 0.00 33.84 32.90 1i4v n VAL 34 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1i4v s GLU 35 N -2.07 4.80 0.10 7.34 2.02 -1.26 -4.96 118.70 124.68 1i4v s GLU 35 Ca 0.32 1.53 0.00 0.00 0.02 0.00 0.00 54.97 56.84 1i4v s GLU 35 Cb 0.38 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 31.33 1i4v s GLU 35 CO -0.04 0.43 0.00 0.94 0.02 0.00 0.00 175.26 176.61 1i4v n GLN 36 N 1.65 0.00 -2.69 1.61 7.27 -1.26 -5.05 117.38 118.91 1i4v n GLN 36 Ca -0.01 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.00 1i4v n GLN 36 Cb 0.47 -0.34 0.07 0.00 2.41 0.00 0.00 30.24 32.86 1i4v n GLN 36 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1i4v n ARG 37 N -3.29 0.32 -2.72 3.69 3.00 -1.26 -5.05 116.66 111.35 1i4v n ARG 37 Ca 0.00 -0.99 -0.08 0.00 -0.00 0.00 0.00 57.85 56.78 1i4v n ARG 37 Cb 0.00 -0.55 0.10 0.00 0.00 0.00 0.00 32.46 32.01 1i4v n ARG 37 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 1i4v n ILE 38 N 1.42 0.02 -2.46 5.15 0.13 -1.26 -5.04 119.36 117.31 1i4v n ILE 38 Ca 0.03 -1.57 -0.43 0.00 -1.10 0.00 0.00 62.75 59.68 1i4v n ILE 38 Cb 0.69 1.19 0.00 0.00 -0.84 0.00 0.00 39.64 40.69 1i4v n ILE 38 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1i4v n ASP 39 N -0.16 5.18 -0.17 9.51 2.03 -1.26 -4.78 116.55 126.90 1i4v n ASP 39 Ca 0.01 -3.11 0.16 0.00 0.52 0.00 0.00 54.79 52.38 1i4v n ASP 39 Cb 0.78 -1.48 0.51 0.00 -0.72 0.00 0.00 41.12 40.22 1i4v n ASP 39 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1i4v h LEU 40 N 7.98 0.38 -0.69 -2.67 -0.00 -1.97 0.67 115.31 119.01 1i4v h LEU 40 Ca 0.37 0.02 0.04 0.00 -0.00 0.00 0.00 57.88 58.32 1i4v h LEU 40 Cb 0.66 -0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 41.22 1i4v h LEU 40 CO 1.55 0.19 0.42 -0.55 -0.00 0.00 0.00 178.44 180.05 1i4v h ASN 41 N 0.40 0.66 1.19 -0.43 7.08 -1.96 -1.56 115.58 120.96 1i4v h ASN 41 Ca 0.38 0.01 0.00 0.00 -3.08 0.00 0.00 56.30 53.62 1i4v h ASN 41 Cb 0.92 -0.13 0.00 0.00 -2.08 0.00 0.00 38.32 37.03 1i4v h ASN 41 CO -0.12 0.45 -0.74 -0.61 -2.08 0.00 0.00 177.43 174.32 1i4v h GLN 42 N 0.80 0.00 0.34 4.14 4.15 -1.26 -2.88 115.11 120.39 1i4v h GLN 42 Ca 0.29 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.69 1i4v h GLN 42 Cb 0.09 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1i4v h GLN 42 CO -0.14 0.00 -0.16 1.25 -1.93 0.00 0.00 178.83 177.85 1i4v h LEU 43 N 0.00 -0.39 -0.24 -2.39 6.46 0.13 -3.29 115.31 115.59 1i4v h LEU 43 Ca 0.00 0.01 -0.20 0.00 -0.12 0.00 0.00 57.88 57.58 1i4v h LEU 43 Cb 0.97 0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.98 1i4v h LEU 43 CO 0.00 -0.27 -0.90 -0.07 -0.62 0.00 0.00 178.44 176.58 1i4v h LEU 44 N -0.48 0.18 0.00 2.25 -0.00 -1.62 -3.47 115.31 112.17 1i4v h LEU 44 Ca -0.05 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 1i4v h LEU 44 Cb 0.35 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.95 1i4v h LEU 44 CO 0.08 0.99 0.00 -0.38 -0.00 0.00 0.00 178.44 179.13 1i4v n ILE 45 N -3.59 0.00 0.00 1.22 -0.00 -1.10 -5.07 119.36 110.82 1i4v n ILE 45 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.72 1i4v n ILE 45 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.47 1i4v n ILE 45 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1i4v n GLN 46 N 0.00 0.00 -1.68 0.38 6.02 -1.15 -4.48 117.38 116.47 1i4v n GLN 46 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 1i4v n GLN 46 Cb 0.00 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.28 1i4v n GLN 46 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1i4v n HIS 47 N -0.59 1.84 0.22 1.08 8.25 -1.26 -4.75 115.22 120.02 1i4v n HIS 47 Ca 0.00 0.50 -0.15 0.00 -0.26 0.00 0.00 57.72 57.81 1i4v n HIS 47 Cb 0.00 -2.32 -0.08 0.00 1.12 0.00 0.00 29.99 28.71 1i4v n HIS 47 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1i4v h PRO 48 N 1.74 -0.53 -0.89 -0.41 0.14 -2.00 -3.39 132.00 126.66 1i4v h PRO 48 Ca -0.48 0.04 -0.34 0.00 0.14 0.00 0.00 66.00 65.36 1i4v h PRO 48 Cb 1.31 0.12 -0.36 0.00 0.14 0.00 0.00 31.00 32.21 1i4v h PRO 48 CO 0.58 -0.26 -1.05 -1.13 0.14 0.00 0.00 178.00 176.28 1i4v n SER 49 N -5.25 0.80 -2.57 1.44 3.41 -1.26 -4.91 113.62 105.28 1i4v n SER 49 Ca -0.11 -2.70 -0.06 0.00 -0.26 0.00 0.00 58.87 55.74 1i4v n SER 49 Cb 0.28 -0.25 0.04 0.00 -0.26 0.00 0.00 64.21 64.02 1i4v n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i4v n ALA 50 N -0.12 3.23 -2.67 7.33 0.00 -1.26 -5.08 120.51 121.95 1i4v n ALA 50 Ca 0.08 -3.02 -0.19 0.00 0.00 0.00 0.00 53.44 50.31 1i4v n ALA 50 Cb 0.81 -0.72 -0.13 0.00 0.00 0.00 0.00 19.45 19.41 1i4v n ALA 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1i4v s THR 51 N -3.93 1.08 0.13 0.00 2.01 -1.26 -2.21 115.64 111.47 1i4v s THR 51 Ca 0.34 -1.06 0.08 0.00 0.31 0.00 0.00 61.69 61.35 1i4v s THR 51 Cb 0.35 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 1i4v s THR 51 CO -0.02 -0.06 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.35 1i4v s TYR 52 N -0.95 1.74 0.08 4.92 1.51 0.18 -4.65 117.35 120.17 1i4v s TYR 52 Ca 0.00 -0.45 -0.04 0.00 -1.01 0.00 0.00 57.07 55.57 1i4v s TYR 52 Cb -0.08 -0.92 -0.02 0.00 -0.11 0.00 0.00 41.96 40.83 1i4v s TYR 52 CO 0.01 0.24 0.08 -0.59 -1.11 0.00 0.00 175.55 174.19 1i4v s PHE 53 N -1.61 0.40 -0.21 2.71 -0.12 -1.26 0.53 117.98 118.42 1i4v s PHE 53 Ca 0.10 -0.88 -0.15 0.00 -0.05 0.00 0.00 56.93 55.96 1i4v s PHE 53 Cb -0.08 -0.25 0.06 0.00 -0.63 0.00 0.00 43.02 42.13 1i4v s PHE 53 CO 0.05 -0.47 0.54 0.54 -0.05 0.00 0.00 175.22 175.82 1i4v s VAL 54 N -3.91 -0.01 0.28 -2.49 0.11 -1.06 -4.96 120.40 108.37 1i4v s VAL 54 Ca 0.08 0.03 -0.29 0.00 -2.93 0.00 0.00 61.98 58.87 1i4v s VAL 54 Cb 0.06 -0.77 -0.10 0.00 -1.53 0.00 0.00 36.38 34.04 1i4v s VAL 54 CO -0.09 0.01 1.14 -0.75 -3.33 0.00 0.00 175.10 172.08 1i4v s LYS 55 N 1.02 4.59 -0.52 1.54 2.36 -1.26 -2.13 119.74 125.34 1i4v s LYS 55 Ca -0.06 1.88 -0.15 0.00 -2.55 0.00 0.00 55.97 55.09 1i4v s LYS 55 Cb -0.06 -3.17 0.12 0.00 -1.05 0.00 0.00 37.83 33.67 1i4v s LYS 55 CO -0.09 0.13 0.46 0.00 1.55 0.00 0.00 175.35 177.39 1i4v s ALA 56 N -1.09 3.59 -0.44 3.13 0.00 -0.90 -4.91 121.76 121.14 1i4v s ALA 56 Ca 0.46 -2.45 0.08 0.00 0.00 0.00 0.00 51.96 50.04 1i4v s ALA 56 Cb -0.33 -3.16 0.40 0.00 0.00 0.00 0.00 23.12 20.03 1i4v s ALA 56 CO 0.43 -1.94 1.01 0.45 0.00 0.00 0.00 175.76 175.71 1i4v n SER 57 N 5.19 3.74 0.00 0.00 2.88 -1.26 -2.11 113.62 122.06 1i4v n SER 57 Ca -0.13 -3.47 0.00 0.00 -1.33 0.00 0.00 58.87 53.95 1i4v n SER 57 Cb 0.41 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 1i4v n SER 57 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1i4v n GLY 58 N -0.29 1.54 1.18 0.46 0.00 -1.26 -4.79 105.19 102.03 1i4v n GLY 58 Ca 0.30 0.10 -0.06 0.00 0.00 0.00 0.00 46.02 46.37 1i4v n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i4v n ASP 59 N 0.00 -0.95 -0.68 1.61 5.68 -1.26 -2.13 116.55 118.83 1i4v n ASP 59 Ca 0.00 -1.81 0.04 0.00 -0.50 0.00 0.00 54.79 52.52 1i4v n ASP 59 Cb 0.00 0.32 0.13 0.00 -1.14 0.00 0.00 41.12 40.43 1i4v n ASP 59 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1i4v n SER 60 N -0.21 1.91 -1.48 -1.12 7.64 -1.26 -4.20 113.62 114.90 1i4v n SER 60 Ca -0.23 -2.11 -0.01 0.00 1.01 0.00 0.00 58.87 57.53 1i4v n SER 60 Cb 0.68 -0.31 0.02 0.00 -1.01 0.00 0.00 64.21 63.59 1i4v n SER 60 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1i4v n MET 61 N 0.30 0.25 0.19 1.43 2.81 -1.26 -4.90 117.12 115.94 1i4v n MET 61 Ca 0.10 -0.29 0.18 0.00 -1.81 0.00 0.00 57.70 55.88 1i4v n MET 61 Cb 0.35 0.21 0.80 0.00 -0.71 0.00 0.00 33.22 33.87 1i4v n MET 61 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1i4v h ILE 62 N 1.07 0.27 -1.17 2.02 2.04 -1.73 0.20 117.51 120.22 1i4v h ILE 62 Ca -0.12 0.00 0.34 0.00 1.00 0.00 0.00 64.86 66.08 1i4v h ILE 62 Cb 0.98 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 1i4v h ILE 62 CO -0.05 0.00 0.91 -2.24 0.00 0.00 0.00 178.15 176.76 1i4v h ASP 63 N 0.00 0.00 0.20 1.72 3.04 -1.87 0.54 116.42 120.05 1i4v h ASP 63 Ca 0.11 0.00 -0.35 0.00 -3.24 0.00 0.00 57.03 53.56 1i4v h ASP 63 Cb 0.82 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.06 1i4v h ASP 63 CO -0.00 0.00 -2.05 0.61 -2.04 0.00 0.00 179.24 175.76 1i4v n GLY 64 N -1.75 -0.74 0.00 7.15 0.00 0.68 -4.94 105.19 105.59 1i4v n GLY 64 Ca 0.25 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1i4v n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i4v n GLY 65 N 1.86 0.56 3.55 -0.02 0.00 0.19 -4.86 105.19 106.47 1i4v n GLY 65 Ca -0.30 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 1i4v n GLY 65 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1i4v s ILE 66 N 0.00 3.29 -0.49 -0.61 -5.25 -1.25 -4.83 121.20 112.06 1i4v s ILE 66 Ca 0.00 0.09 0.08 0.00 -0.99 0.00 0.00 60.65 59.83 1i4v s ILE 66 Cb 0.00 -3.74 0.29 0.00 2.95 0.00 0.00 42.46 41.95 1i4v s ILE 66 CO 0.00 -0.71 0.70 -0.24 -1.79 0.00 0.00 174.94 172.90 1i4v n SER 67 N 13.71 2.10 -3.86 4.36 2.88 -1.26 -3.56 113.62 127.99 1i4v n SER 67 Ca 0.27 -3.15 -0.31 0.00 -1.33 0.00 0.00 58.87 54.34 1i4v n SER 67 Cb 0.52 -0.63 0.01 0.00 -0.75 0.00 0.00 64.21 63.35 1i4v n SER 67 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1i4v n ASP 68 N 0.74 -4.73 0.00 -3.46 2.03 -0.91 -4.73 116.55 105.49 1i4v n ASP 68 Ca 0.26 -1.05 0.00 0.00 0.52 0.00 0.00 54.79 54.52 1i4v n ASP 68 Cb 0.50 -1.84 0.00 0.00 -0.72 0.00 0.00 41.12 39.05 1i4v n ASP 68 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i4v n GLY 69 N -1.80 -0.31 3.59 0.27 0.00 -0.90 -4.92 105.19 101.11 1i4v n GLY 69 Ca -0.23 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.70 1i4v n GLY 69 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1i4v s ASP 70 N 0.00 -0.16 -0.22 1.61 1.47 -1.25 -4.62 116.67 113.48 1i4v s ASP 70 Ca 0.00 0.01 -0.00 0.00 1.18 0.00 0.00 52.55 53.74 1i4v s ASP 70 Cb 0.00 0.17 0.03 0.00 -0.34 0.00 0.00 42.92 42.78 1i4v s ASP 70 CO 0.00 -0.27 -0.11 -0.22 0.68 0.00 0.00 175.17 175.24 1i4v s LEU 71 N -2.16 2.85 0.28 2.11 1.98 -1.09 -2.13 118.68 120.51 1i4v s LEU 71 Ca 0.09 -0.83 -0.28 0.00 -2.89 0.00 0.00 54.13 50.21 1i4v s LEU 71 Cb -0.01 -1.59 -0.09 0.00 0.66 0.00 0.00 46.19 45.15 1i4v s LEU 71 CO -0.05 -0.08 0.96 -0.22 -1.89 0.00 0.00 176.35 175.06 1i4v s LEU 72 N 1.29 4.52 -0.33 -0.68 0.20 -0.91 -1.41 118.68 121.37 1i4v s LEU 72 Ca 0.01 1.94 0.01 0.00 0.69 0.00 0.00 54.13 56.77 1i4v s LEU 72 Cb -0.16 -3.77 0.10 0.00 -0.43 0.00 0.00 46.19 41.94 1i4v s LEU 72 CO -0.07 0.04 0.10 -0.63 -0.29 0.00 0.00 176.35 175.50 1i4v s ILE 73 N -1.34 1.26 0.22 6.68 -1.09 0.17 -2.56 121.20 124.54 1i4v s ILE 73 Ca 0.45 -1.72 0.06 0.00 -2.23 0.00 0.00 60.65 57.20 1i4v s ILE 73 Cb -0.24 -1.94 -0.03 0.00 -1.58 0.00 0.00 42.46 38.67 1i4v s ILE 73 CO 0.30 -0.68 0.23 0.54 -1.23 0.00 0.00 174.94 174.10 1i4v s VAL 74 N 1.34 4.73 -0.41 2.92 0.11 0.19 0.28 120.40 129.56 1i4v s VAL 74 Ca 0.11 -1.17 0.00 0.00 -2.93 0.00 0.00 61.98 57.98 1i4v s VAL 74 Cb -0.18 -3.52 0.11 0.00 -1.53 0.00 0.00 36.38 31.26 1i4v s VAL 74 CO -0.19 -0.27 0.18 -1.81 -3.33 0.00 0.00 175.10 169.67 1i4v s ASP 75 N -3.67 5.02 -0.69 3.54 1.11 -1.18 0.50 116.67 121.29 1i4v s ASP 75 Ca 0.33 -2.23 -0.27 0.00 0.18 0.00 0.00 52.55 50.56 1i4v s ASP 75 Cb -0.09 -1.75 0.02 0.00 1.07 0.00 0.00 42.92 42.18 1i4v s ASP 75 CO 0.26 -0.45 1.33 -0.94 1.18 0.00 0.00 175.17 176.55 1i4v s SER 76 N 1.24 6.13 0.07 0.27 1.04 -0.94 -1.17 113.70 120.34 1i4v s SER 76 Ca 0.11 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1i4v s SER 76 Cb -0.21 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.35 1i4v s SER 76 CO -0.05 -1.82 0.00 0.00 0.98 0.00 0.00 173.24 172.35 1i4v n ALA 77 N 9.52 0.00 -2.77 5.32 0.00 -1.23 -4.07 120.51 127.29 1i4v n ALA 77 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.29 1i4v n ALA 77 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.93 1i4v n ALA 77 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1i4v s ILE 78 N -2.00 4.85 -0.14 0.00 1.09 -1.26 -5.00 121.20 118.75 1i4v s ILE 78 Ca 0.00 -0.92 -0.12 0.00 -1.10 0.00 0.00 60.65 58.52 1i4v s ILE 78 Cb 0.00 -3.72 -0.05 0.00 -1.06 0.00 0.00 42.46 37.64 1i4v s ILE 78 CO 0.00 -0.30 0.24 -0.89 -0.10 0.00 0.00 174.94 173.89 1i4v s THR 79 N -2.09 5.33 0.00 2.92 2.01 -1.26 -3.19 115.64 119.36 1i4v s THR 79 Ca 0.38 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.83 1i4v s THR 79 Cb -0.09 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.86 1i4v s THR 79 CO 0.31 0.48 0.00 0.00 -0.69 0.00 0.00 174.62 174.72 1i4v n ALA 80 N 2.94 0.00 -3.06 7.40 0.00 -1.22 -4.92 120.51 121.65 1i4v n ALA 80 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 1i4v n ALA 80 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 1i4v n ALA 80 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1i4v s SER 81 N -1.00 0.05 0.41 0.00 0.01 -1.26 -5.05 113.70 106.85 1i4v s SER 81 Ca 0.00 -0.26 -0.25 0.00 1.31 0.00 0.00 55.95 56.75 1i4v s SER 81 Cb 0.00 0.21 -0.11 0.00 0.21 0.00 0.00 66.02 66.33 1i4v s SER 81 CO 0.00 -0.39 1.11 1.41 0.41 0.00 0.00 173.24 175.78 1i4v n HIS 82 N 1.35 1.55 -1.74 2.43 8.25 -1.26 -3.10 115.22 122.69 1i4v n HIS 82 Ca -0.22 0.55 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 1i4v n HIS 82 Cb 0.56 -2.29 0.00 0.00 1.12 0.00 0.00 29.99 29.38 1i4v n HIS 82 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i4v n GLY 83 N 1.05 0.89 3.20 -1.41 0.00 -1.18 -5.01 105.19 102.72 1i4v n GLY 83 Ca 0.08 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 1i4v n GLY 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i4v s ASP 84 N -2.76 -0.27 -1.03 1.61 1.01 -1.18 -4.99 116.67 109.06 1i4v s ASP 84 Ca 0.00 0.44 -0.25 0.00 0.71 0.00 0.00 52.55 53.44 1i4v s ASP 84 Cb 0.00 0.53 -0.15 0.00 1.01 0.00 0.00 42.92 44.30 1i4v s ASP 84 CO 0.00 -0.21 2.11 -0.51 0.21 0.00 0.00 175.17 176.77 1i4v s ILE 85 N -0.30 3.21 0.30 0.77 2.07 -1.26 -3.76 121.20 122.21 1i4v s ILE 85 Ca -0.04 -0.30 0.11 0.00 -1.41 0.00 0.00 60.65 59.01 1i4v s ILE 85 Cb -0.03 -3.95 -0.05 0.00 0.13 0.00 0.00 42.46 38.55 1i4v s ILE 85 CO 0.01 -0.39 -0.15 0.68 -1.91 0.00 0.00 174.94 173.19 1i4v s VAL 86 N 14.29 2.51 -0.19 4.00 -7.23 -1.25 -4.35 120.40 128.18 1i4v s VAL 86 Ca 0.79 -2.29 -0.20 0.00 -1.81 0.00 0.00 61.98 58.46 1i4v s VAL 86 Cb -0.06 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.40 1i4v s VAL 86 CO 0.13 -0.34 0.60 -0.51 -0.31 0.00 0.00 175.10 174.67 1i4v s ILE 87 N -2.52 5.05 0.50 -0.62 1.10 -1.26 -3.17 121.20 120.28 1i4v s ILE 87 Ca 0.31 1.14 -0.03 0.00 -0.51 0.00 0.00 60.65 61.56 1i4v s ILE 87 Cb -0.03 -3.92 -0.01 0.00 0.15 0.00 0.00 42.46 38.65 1i4v s ILE 87 CO 0.16 0.14 0.77 0.00 -2.11 0.00 0.00 174.94 173.90 1i4v s ALA 88 N 1.74 3.50 -0.17 1.50 0.00 -0.64 -0.47 121.76 127.21 1i4v s ALA 88 Ca 0.28 -0.78 -0.12 0.00 0.00 0.00 0.00 51.96 51.35 1i4v s ALA 88 Cb -0.16 -2.41 0.05 0.00 0.00 0.00 0.00 23.12 20.60 1i4v s ALA 88 CO 0.11 -0.49 0.43 0.00 0.00 0.00 0.00 175.76 175.80 1i4v s ALA 89 N -2.74 -1.09 -0.20 0.00 0.00 0.81 -2.72 121.76 115.83 1i4v s ALA 89 Ca 0.49 1.45 -0.08 0.00 0.00 0.00 0.00 51.96 53.82 1i4v s ALA 89 Cb -0.10 -0.87 0.08 0.00 0.00 0.00 0.00 23.12 22.23 1i4v s ALA 89 CO 0.42 -0.25 0.44 0.54 0.00 0.00 0.00 175.76 176.91 1i4v s VAL 90 N 0.97 -0.43 -1.47 0.00 0.11 -1.24 -2.98 120.40 115.36 1i4v s VAL 90 Ca -0.06 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 1i4v s VAL 90 Cb -0.06 -0.68 0.00 0.00 -1.53 0.00 0.00 36.38 34.11 1i4v s VAL 90 CO -0.08 0.05 0.00 0.47 -3.33 0.00 0.00 175.10 172.21 1i4v n ASP 91 N 4.97 -4.08 -0.04 3.54 8.00 -1.26 -1.27 116.55 126.40 1i4v n ASP 91 Ca -0.14 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1i4v n ASP 91 Cb 0.52 -3.65 0.00 0.00 -0.02 0.00 0.00 41.12 37.97 1i4v n ASP 91 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i4v n GLY 92 N -0.46 1.39 3.81 0.44 0.00 -1.26 -5.10 105.19 104.01 1i4v n GLY 92 Ca -0.16 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 1i4v n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i4v s GLU 93 N -1.55 2.63 -0.13 1.61 2.02 -0.40 -5.12 118.70 117.76 1i4v s GLU 93 Ca 0.00 -1.34 -0.04 0.00 0.02 0.00 0.00 54.97 53.60 1i4v s GLU 93 Cb 0.00 -2.39 0.06 0.00 0.10 0.00 0.00 34.13 31.90 1i4v s GLU 93 CO 0.00 0.14 0.21 -0.06 0.02 0.00 0.00 175.26 175.57 1i4v s PHE 94 N -2.32 -0.29 0.16 1.61 0.08 -1.26 -3.67 117.98 112.29 1i4v s PHE 94 Ca 0.39 0.65 0.03 0.00 0.12 0.00 0.00 56.93 58.12 1i4v s PHE 94 Cb -0.05 -0.20 -0.05 0.00 -0.57 0.00 0.00 43.02 42.15 1i4v s PHE 94 CO 0.25 -0.38 -0.05 0.95 -0.10 0.00 0.00 175.22 175.89 1i4v s THR 95 N 2.35 0.94 -0.18 0.64 -4.23 -1.10 -4.94 115.64 109.12 1i4v s THR 95 Ca 0.03 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.53 1i4v s THR 95 Cb -0.13 -1.98 0.03 0.00 1.34 0.00 0.00 72.50 71.76 1i4v s THR 95 CO -0.08 -0.62 -0.13 -0.69 -0.54 0.00 0.00 174.62 172.56 1i4v s VAL 96 N -3.48 1.68 0.00 2.29 1.01 -1.26 -1.63 120.40 119.02 1i4v s VAL 96 Ca 0.20 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1i4v s VAL 96 Cb 0.04 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1i4v s VAL 96 CO 0.02 0.33 0.00 2.29 0.00 0.00 0.00 175.10 177.74 1i4v n LYS 97 N 4.70 0.00 -2.35 2.72 2.85 -1.19 -4.56 118.16 120.33 1i4v n LYS 97 Ca -0.16 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.74 1i4v n LYS 97 Cb 0.48 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.83 1i4v n LYS 97 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1i4v s LYS 98 N -2.00 3.19 0.39 -1.58 1.02 -1.25 -3.83 119.74 115.68 1i4v s LYS 98 Ca 0.00 -0.88 -0.24 0.00 0.02 0.00 0.00 55.97 54.87 1i4v s LYS 98 Cb 0.00 -5.26 -0.10 0.00 -0.52 0.00 0.00 37.83 31.95 1i4v s LYS 98 CO 0.00 -2.72 0.99 -0.48 -0.92 0.00 0.00 175.35 172.22 1i4v s LEU 99 N 7.06 4.13 -0.09 3.17 2.34 -1.26 -4.43 118.68 129.60 1i4v s LEU 99 Ca 0.56 1.88 0.03 0.00 0.06 0.00 0.00 54.13 56.67 1i4v s LEU 99 Cb -0.02 -4.24 0.01 0.00 -0.56 0.00 0.00 46.19 41.37 1i4v s LEU 99 CO -0.04 -0.35 -0.18 -1.10 -1.06 0.00 0.00 176.35 173.61 1i4v s GLN 100 N -2.57 2.45 0.00 1.48 -0.21 -1.13 -3.09 119.66 116.59 1i4v s GLN 100 Ca 0.57 -0.67 0.00 0.00 0.02 0.00 0.00 55.36 55.28 1i4v s GLN 100 Cb -0.17 -1.93 0.00 0.00 1.00 0.00 0.00 33.01 31.91 1i4v s GLN 100 CO 0.22 0.08 0.02 1.28 -2.12 0.00 0.00 175.29 174.78 1i4v n LEU 101 N 3.75 0.05 0.09 2.90 4.77 -1.24 -1.90 117.00 125.43 1i4v n LEU 101 Ca -0.20 -0.35 -0.05 0.00 -0.03 0.00 0.00 56.01 55.37 1i4v n LEU 101 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1i4v n LEU 101 CO 0.26 0.01 0.13 0.03 -1.33 0.00 0.00 177.39 176.50 1i4v h ARG 102 N 0.00 -0.32 0.57 3.23 -0.00 -2.00 -3.37 114.38 112.48 1i4v h ARG 102 Ca 0.00 0.02 -0.03 0.00 -0.50 0.00 0.00 59.98 59.47 1i4v h ARG 102 Cb 0.01 0.07 0.01 0.00 0.00 0.00 0.00 29.97 30.06 1i4v h ARG 102 CO 0.00 -0.22 -0.27 -1.00 0.00 0.00 0.00 179.97 178.48 1i4v h PRO 103 N -1.08 -0.74 -2.81 0.04 0.13 -2.02 -3.46 132.00 122.06 1i4v h PRO 103 Ca -0.03 0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 65.04 1i4v h PRO 103 Cb 0.26 0.17 -0.20 0.00 0.13 0.00 0.00 31.00 31.35 1i4v h PRO 103 CO 0.06 -0.43 -0.19 0.99 -0.23 0.00 0.00 178.00 178.20 1i4v s THR 104 N -5.16 0.04 -0.71 1.56 2.01 -1.26 -5.10 115.64 107.01 1i4v s THR 104 Ca -0.15 -0.32 -0.27 0.00 0.31 0.00 0.00 61.69 61.26 1i4v s THR 104 Cb 0.02 -0.68 0.02 0.00 0.01 0.00 0.00 72.50 71.88 1i4v s THR 104 CO 0.53 -0.18 1.36 0.68 -0.69 0.00 0.00 174.62 176.33 1i4v s VAL 105 N -1.07 3.68 -0.02 3.82 -7.23 -1.25 -3.59 120.40 114.75 1i4v s VAL 105 Ca -0.11 0.40 -0.11 0.00 -1.81 0.00 0.00 61.98 60.35 1i4v s VAL 105 Cb -0.04 -4.77 0.02 0.00 0.56 0.00 0.00 36.38 32.15 1i4v s VAL 105 CO 0.05 -1.70 0.24 -1.58 -0.31 0.00 0.00 175.10 171.80 1i4v s GLN 106 N 5.89 0.56 0.21 4.82 0.74 -0.80 -2.78 119.66 128.31 1i4v s GLN 106 Ca 0.40 -0.20 0.08 0.00 0.05 0.00 0.00 55.36 55.68 1i4v s GLN 106 Cb -0.09 0.25 -0.04 0.00 1.10 0.00 0.00 33.01 34.23 1i4v s GLN 106 CO 0.16 -0.14 0.05 -0.51 -0.55 0.00 0.00 175.29 174.30 1i4v s LEU 107 N -1.18 3.43 -0.43 3.68 2.01 -0.14 -2.83 118.68 123.22 1i4v s LEU 107 Ca -0.12 -0.40 0.02 0.00 0.01 0.00 0.00 54.13 53.64 1i4v s LEU 107 Cb -0.06 -2.03 0.13 0.00 0.01 0.00 0.00 46.19 44.24 1i4v s LEU 107 CO 0.03 0.04 0.21 -0.51 1.01 0.00 0.00 176.35 177.13 1i4v s ILE 108 N -1.94 1.65 0.55 -0.59 -1.16 -1.26 -2.35 121.20 116.09 1i4v s ILE 108 Ca 0.30 -2.55 -0.20 0.00 -0.51 0.00 0.00 60.65 57.69 1i4v s ILE 108 Cb -0.08 -2.17 -0.05 0.00 0.61 0.00 0.00 42.46 40.77 1i4v s ILE 108 CO 0.21 -0.82 1.22 -2.16 -2.81 0.00 0.00 174.94 170.57 1i4v s PRO 109 N 0.43 3.19 0.00 3.50 0.05 -1.26 -4.72 135.00 136.19 1i4v s PRO 109 Ca 0.16 1.88 0.00 0.00 0.05 0.00 0.00 61.00 63.09 1i4v s PRO 109 Cb -0.23 -2.09 0.00 0.00 0.05 0.00 0.00 34.50 32.22 1i4v s PRO 109 CO -0.03 -1.04 0.00 -1.33 0.05 0.00 0.00 177.00 174.64 1i4v n MET 110 N -1.23 1.62 0.00 4.56 0.00 -1.26 -4.08 117.12 116.71 1i4v n MET 110 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.82 1i4v n MET 110 Cb 0.49 -0.70 0.00 0.00 0.00 0.00 0.00 33.22 33.00 1i4v n MET 110 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1i4v n ASN 111 N -1.11 0.00 0.00 7.83 5.15 -1.26 -4.67 115.26 121.19 1i4v n ASN 111 Ca 0.00 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.23 1i4v n ASN 111 Cb 0.20 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.45 1i4v n ASN 111 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1i4v n SER 112 N -0.41 2.92 -2.92 1.20 3.41 -1.26 -4.81 113.62 111.73 1i4v n SER 112 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 1i4v n SER 112 Cb 0.00 0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 64.25 1i4v n SER 112 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i4v n ALA 113 N -1.30 6.61 -1.76 7.33 0.00 -1.26 -4.95 120.51 125.18 1i4v n ALA 113 Ca 0.00 -3.49 -0.43 0.00 0.00 0.00 0.00 53.44 49.52 1i4v n ALA 113 Cb 0.25 -2.43 -0.03 0.00 0.00 0.00 0.00 19.45 17.24 1i4v n ALA 113 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1i4v s TYR 114 N -1.43 1.45 -0.30 0.00 1.13 -1.26 -4.53 117.35 112.40 1i4v s TYR 114 Ca 0.57 0.25 -0.13 0.00 -1.41 0.00 0.00 57.07 56.35 1i4v s TYR 114 Cb 0.29 -4.05 0.18 0.00 -1.10 0.00 0.00 41.96 37.28 1i4v s TYR 114 CO -0.16 -4.20 1.02 -1.12 -2.51 0.00 0.00 175.55 168.58 1i4v s SER 115 N 6.12 -0.53 -0.42 -0.18 0.01 -1.26 -4.98 113.70 112.45 1i4v s SER 115 Ca 0.89 0.43 -0.27 0.00 1.31 0.00 0.00 55.95 58.31 1i4v s SER 115 Cb -0.33 1.48 -0.07 0.00 0.21 0.00 0.00 66.02 67.31 1i4v s SER 115 CO 0.36 -0.10 2.37 -2.65 0.41 0.00 0.00 173.24 173.63 1i4v n PRO 116 N 5.32 1.27 -3.40 12.44 -0.01 -1.26 -4.32 135.00 145.04 1i4v n PRO 116 Ca -0.07 0.13 -0.38 0.00 -0.01 0.00 0.00 63.50 63.18 1i4v n PRO 116 Cb 0.53 -3.38 -0.06 0.00 -0.01 0.00 0.00 33.50 30.58 1i4v n PRO 116 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 175.50 173.99 1i4v s ILE 117 N 11.23 4.89 0.07 4.25 2.07 -0.99 -4.84 121.20 137.88 1i4v s ILE 117 Ca 0.99 0.96 0.01 0.00 -1.41 0.00 0.00 60.65 61.20 1i4v s ILE 117 Cb -0.23 -3.78 -0.04 0.00 0.13 0.00 0.00 42.46 38.54 1i4v s ILE 117 CO 0.29 0.50 0.18 0.28 -1.91 0.00 0.00 174.94 174.27 1i4v s THR 118 N -1.18 5.15 0.48 4.00 -1.32 -1.26 -0.97 115.64 120.54 1i4v s THR 118 Ca 0.29 -0.52 0.05 0.00 -1.21 0.00 0.00 61.69 60.30 1i4v s THR 118 Cb -0.17 -3.51 -0.01 0.00 -1.51 0.00 0.00 72.50 67.29 1i4v s THR 118 CO 0.17 0.12 0.22 -0.63 -2.21 0.00 0.00 174.62 172.29 1i4v s ILE 119 N -1.49 1.81 1.07 5.08 1.01 -1.12 -4.99 121.20 122.57 1i4v s ILE 119 Ca 0.33 -1.69 -0.20 0.00 0.00 0.00 0.00 60.65 59.09 1i4v s ILE 119 Cb -0.13 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.85 1i4v s ILE 119 CO 0.26 0.00 -0.37 -1.20 0.00 0.00 0.00 174.94 173.64 1i4v n SER 120 N -1.43 -2.68 -4.57 3.58 7.64 -1.26 -4.56 113.62 110.34 1i4v n SER 120 Ca -0.05 -0.03 -0.15 0.00 1.01 0.00 0.00 58.87 59.64 1i4v n SER 120 Cb 0.65 -0.86 -0.10 0.00 -1.01 0.00 0.00 64.21 62.89 1i4v n SER 120 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1i4v s SER 121 N -1.62 3.64 -1.34 6.43 0.01 -1.26 -3.51 113.70 116.05 1i4v s SER 121 Ca 0.51 -0.76 -0.01 0.00 1.31 0.00 0.00 55.95 57.00 1i4v s SER 121 Cb -0.08 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1i4v s SER 121 CO 0.67 -4.45 0.64 -0.62 0.41 0.00 0.00 173.24 169.90 1i4v n GLU 122 N 8.35 -4.55 0.00 12.44 1.02 -1.26 -4.94 120.64 131.69 1i4v n GLU 122 Ca 0.43 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 58.14 1i4v n GLU 122 Cb 0.46 -5.04 0.00 0.00 -0.02 0.00 0.00 31.44 26.84 1i4v n GLU 122 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1i4v n ASP 123 N -3.03 0.00 -3.14 1.62 2.03 -1.23 -4.84 116.55 107.96 1i4v n ASP 123 Ca -0.29 0.19 -0.17 0.00 0.52 0.00 0.00 54.79 55.04 1i4v n ASP 123 Cb 0.67 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 41.02 1i4v n ASP 123 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1i4v s THR 124 N -0.38 -0.27 -0.20 5.18 2.01 -1.26 -5.10 115.64 115.63 1i4v s THR 124 Ca 0.00 -1.81 -0.00 0.00 0.31 0.00 0.00 61.69 60.19 1i4v s THR 124 Cb 0.00 -0.69 0.05 0.00 0.01 0.00 0.00 72.50 71.87 1i4v s THR 124 CO 0.00 -0.68 -0.05 -0.76 -0.69 0.00 0.00 174.62 172.45 1i4v s LEU 125 N 0.54 1.96 0.10 4.42 2.01 -1.26 -4.47 118.68 121.97 1i4v s LEU 125 Ca 0.30 -0.89 -0.08 0.00 0.01 0.00 0.00 54.13 53.47 1i4v s LEU 125 Cb 0.00 -0.99 -0.01 0.00 0.01 0.00 0.00 46.19 45.20 1i4v s LEU 125 CO -0.12 -0.22 0.19 -0.62 1.01 0.00 0.00 176.35 176.59 1i4v s ASP 126 N 1.56 0.14 0.58 2.29 2.15 -1.16 -4.96 116.67 117.27 1i4v s ASP 126 Ca -0.02 -0.72 -0.17 0.00 0.43 0.00 0.00 52.55 52.07 1i4v s ASP 126 Cb -0.17 0.34 -0.04 0.00 -0.30 0.00 0.00 42.92 42.76 1i4v s ASP 126 CO -0.07 -0.74 1.07 -0.69 -0.17 0.00 0.00 175.17 174.57 1i4v s VAL 127 N -3.88 3.63 -0.26 1.11 1.01 -1.26 -0.13 120.40 120.61 1i4v s VAL 127 Ca 0.07 0.83 -0.05 0.00 0.00 0.00 0.00 61.98 62.83 1i4v s VAL 127 Cb 0.05 -3.33 -0.15 0.00 0.00 0.00 0.00 36.38 32.95 1i4v s VAL 127 CO -0.09 -0.40 -0.26 0.33 0.00 0.00 0.00 175.10 174.68 1i4v n PHE 128 N -1.86 0.05 -0.65 5.22 7.35 0.38 -4.78 117.46 123.17 1i4v n PHE 128 Ca 0.09 0.01 0.00 0.00 -0.76 0.00 0.00 57.45 56.80 1i4v n PHE 128 Cb 0.52 -1.01 0.00 0.00 0.35 0.00 0.00 39.48 39.35 1i4v n PHE 128 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1i4v n GLY 129 N 1.84 4.23 0.20 7.13 0.00 -1.26 -3.55 105.19 113.79 1i4v n GLY 129 Ca -0.49 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 43.81 1i4v n GLY 129 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1i4v n VAL 130 N 0.00 0.00 -3.69 1.61 3.14 -0.32 -3.43 118.33 115.65 1i4v n VAL 130 Ca 0.00 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.36 1i4v n VAL 130 Cb 0.00 0.51 -0.01 0.00 -1.06 0.00 0.00 33.84 33.28 1i4v n VAL 130 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1i4v s VAL 131 N 0.00 0.00 -0.47 1.55 0.11 -1.26 -4.83 120.40 115.49 1i4v s VAL 131 Ca 0.00 -0.46 0.06 0.00 -2.93 0.00 0.00 61.98 58.65 1i4v s VAL 131 Cb 0.00 -1.91 0.20 0.00 -1.53 0.00 0.00 36.38 33.14 1i4v s VAL 131 CO 0.00 0.00 0.62 -0.38 -3.33 0.00 0.00 175.10 172.01 1i4v n ILE 132 N -0.45 -0.42 -2.26 7.04 -0.00 -1.25 -3.13 119.36 118.90 1i4v n ILE 132 Ca -0.07 -2.04 -0.43 0.00 -0.00 0.00 0.00 62.75 60.21 1i4v n ILE 132 Cb 0.61 0.04 -0.02 0.00 -0.00 0.00 0.00 39.64 40.27 1i4v n ILE 132 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 1i4v s HIS 133 N 0.42 2.50 -0.16 1.39 3.76 0.14 -4.71 115.29 118.63 1i4v s HIS 133 Ca 0.32 0.68 -0.21 0.00 -0.15 0.00 0.00 55.06 55.70 1i4v s HIS 133 Cb 0.06 -3.67 -0.03 0.00 1.11 0.00 0.00 32.58 30.05 1i4v s HIS 133 CO -0.13 -2.57 0.62 0.08 -0.85 0.00 0.00 174.74 171.89 1i4v s VAL 134 N 3.69 5.05 -0.53 -0.90 1.01 -1.26 -0.65 120.40 126.80 1i4v s VAL 134 Ca 0.62 1.19 -0.16 0.00 0.00 0.00 0.00 61.98 63.64 1i4v s VAL 134 Cb -0.26 -3.94 0.12 0.00 0.00 0.00 0.00 36.38 32.30 1i4v s VAL 134 CO 0.21 0.17 0.49 -0.69 0.00 0.00 0.00 175.10 175.28 1i4v s VAL 135 N 1.53 5.21 -0.61 2.92 1.01 -0.50 -4.98 120.40 124.97 1i4v s VAL 135 Ca 0.30 -1.44 -0.25 0.00 0.00 0.00 0.00 61.98 60.59 1i4v s VAL 135 Cb -0.16 -4.32 0.05 0.00 0.00 0.00 0.00 36.38 31.95 1i4v s VAL 135 CO 0.12 -0.84 1.03 -0.54 0.00 0.00 0.00 175.10 174.86 1i4v s LYS 136 N 1.62 3.27 0.03 2.72 1.02 -1.26 -2.68 119.74 124.46 1i4v s LYS 136 Ca 0.03 -0.35 -0.30 0.00 0.02 0.00 0.00 55.97 55.37 1i4v s LYS 136 Cb -0.29 -4.11 -0.08 0.00 -0.52 0.00 0.00 37.83 32.82 1i4v s LYS 136 CO 0.03 -1.70 1.88 0.00 -0.92 0.00 0.00 175.35 174.64 1i4v s ALA 137 N 4.39 3.61 -0.31 5.17 0.00 -1.26 -4.96 121.76 128.40 1i4v s ALA 137 Ca 0.30 1.25 0.03 0.00 0.00 0.00 0.00 51.96 53.55 1i4v s ALA 137 Cb -0.12 -3.81 0.09 0.00 0.00 0.00 0.00 23.12 19.27 1i4v s ALA 137 CO 0.17 -1.48 -0.00 1.41 0.00 0.00 0.00 175.76 175.86 1i4v s MET 138 N 4.11 1.69 0.00 0.00 1.75 -1.26 -5.09 119.30 120.51 1i4v s MET 138 Ca 0.84 -1.64 0.00 0.00 -1.25 0.00 0.00 55.69 53.63 1i4v s MET 138 Cb -0.41 -3.04 0.00 0.00 2.84 0.00 0.00 34.83 34.22 1i4v s MET 138 CO 0.38 -0.81 0.34 2.89 -0.65 0.00 0.00 175.02 177.17