#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4v n PHE 26 N 0.00 1.29 -1.84 0.00 1.16 -1.26 -4.85 117.46 111.96 1i4v n PHE 26 Ca 0.00 0.44 -0.42 0.00 -1.87 0.00 0.00 57.45 55.60 1i4v n PHE 26 Cb 0.00 -2.20 -0.03 0.00 -1.61 0.00 0.00 39.48 35.64 1i4v n PHE 26 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 1i4v s PRO 27 N -2.86 4.09 0.04 3.97 0.05 -1.26 -4.91 135.00 134.12 1i4v s PRO 27 Ca 0.76 2.34 -0.27 0.00 0.05 0.00 0.00 61.00 63.88 1i4v s PRO 27 Cb -0.42 -4.09 -0.17 0.00 0.05 0.00 0.00 34.50 29.88 1i4v s PRO 27 CO 0.46 -0.98 1.46 0.66 0.05 0.00 0.00 177.00 178.65 1i4v h SER 28 N 10.34 -0.36 -1.90 6.66 4.64 -2.07 -3.39 113.55 127.45 1i4v h SER 28 Ca -0.44 -0.10 -0.52 0.00 -0.47 0.00 0.00 61.79 60.27 1i4v h SER 28 Cb 1.21 0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1i4v h SER 28 CO 0.95 -0.11 1.51 -2.16 -0.87 0.00 0.00 176.83 176.15 1i4v s PRO 29 N -5.36 2.61 0.00 4.77 0.05 -1.26 -4.61 135.00 131.20 1i4v s PRO 29 Ca -0.15 1.47 0.00 0.00 0.05 0.00 0.00 61.00 62.37 1i4v s PRO 29 Cb 0.03 -4.45 0.00 0.00 0.05 0.00 0.00 34.50 30.13 1i4v s PRO 29 CO 0.60 -2.70 0.00 0.00 0.05 0.00 0.00 177.00 174.95 1i4v n ALA 30 N 13.60 1.44 -3.35 8.56 0.00 -1.26 -5.01 120.51 134.49 1i4v n ALA 30 Ca 0.31 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.39 1i4v n ALA 30 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 1i4v n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i4v n ALA 31 N -1.10 4.37 -2.68 0.00 0.00 -1.26 -5.04 120.51 114.80 1i4v n ALA 31 Ca 0.00 -4.73 -0.31 0.00 0.00 0.00 0.00 53.44 48.40 1i4v n ALA 31 Cb 0.00 -1.66 -0.08 0.00 0.00 0.00 0.00 19.45 17.70 1i4v n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i4v s ASP 32 N -1.47 5.04 1.04 0.00 1.11 -1.26 -5.10 116.67 116.03 1i4v s ASP 32 Ca 0.33 -0.12 -0.14 0.00 0.18 0.00 0.00 52.55 52.79 1i4v s ASP 32 Cb 0.04 -1.24 0.12 0.00 1.07 0.00 0.00 42.92 42.91 1i4v s ASP 32 CO -0.01 0.21 0.47 0.00 1.18 0.00 0.00 175.17 177.02 1i4v n TYR 33 N 0.84 -1.11 -2.71 4.23 9.36 -1.26 -4.98 117.16 121.54 1i4v n TYR 33 Ca -0.12 0.16 -0.09 0.00 3.32 0.00 0.00 57.90 61.17 1i4v n TYR 33 Cb 0.52 -1.72 0.04 0.00 -0.63 0.00 0.00 39.34 37.55 1i4v n TYR 33 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 1i4v n VAL 34 N -4.20 0.66 -1.58 2.97 3.14 -1.26 -5.06 118.33 113.01 1i4v n VAL 34 Ca 0.05 -2.82 -0.22 0.00 -2.96 0.00 0.00 64.34 58.38 1i4v n VAL 34 Cb 0.56 0.68 -0.05 0.00 -1.06 0.00 0.00 33.84 33.97 1i4v n VAL 34 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1i4v s GLU 35 N -2.30 1.80 -0.18 1.45 -6.30 -1.26 -4.71 118.70 107.20 1i4v s GLU 35 Ca 0.27 0.83 -0.15 0.00 -2.50 0.00 0.00 54.97 53.42 1i4v s GLU 35 Cb 0.43 -4.71 -0.07 0.00 0.00 0.00 0.00 34.13 29.79 1i4v s GLU 35 CO 0.00 -3.99 -0.26 0.94 0.02 0.00 0.00 175.26 171.98 1i4v n GLN 36 N 8.90 0.52 -3.57 4.30 7.27 -1.26 -5.05 117.38 128.48 1i4v n GLN 36 Ca 0.43 0.34 0.01 0.00 0.07 0.00 0.00 57.00 57.84 1i4v n GLN 36 Cb 0.48 -1.54 -0.06 0.00 2.41 0.00 0.00 30.24 31.53 1i4v n GLN 36 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 1i4v s ARG 37 N -2.61 0.20 0.22 3.69 3.52 -1.26 -5.16 118.95 117.55 1i4v s ARG 37 Ca -0.26 0.37 -0.18 0.00 -0.13 0.00 0.00 55.73 55.53 1i4v s ARG 37 Cb 0.05 0.09 -0.08 0.00 -1.56 0.00 0.00 34.95 33.45 1i4v s ARG 37 CO 0.39 -0.05 0.69 -1.50 -0.81 0.00 0.00 175.30 174.02 1i4v s ILE 38 N 1.43 4.65 -0.59 4.11 1.10 -1.26 -4.96 121.20 125.68 1i4v s ILE 38 Ca -0.07 1.13 0.08 0.00 -0.51 0.00 0.00 60.65 61.28 1i4v s ILE 38 Cb -0.03 -3.79 0.47 0.00 0.15 0.00 0.00 42.46 39.26 1i4v s ILE 38 CO -0.13 0.15 1.22 -0.67 -2.11 0.00 0.00 174.94 173.40 1i4v n ASP 39 N 0.56 3.72 0.00 4.50 2.03 -1.26 -4.62 116.55 121.48 1i4v n ASP 39 Ca -0.02 -2.53 0.00 0.00 0.52 0.00 0.00 54.79 52.76 1i4v n ASP 39 Cb 0.51 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 1i4v n ASP 39 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1i4v n LEU 40 N 0.37 0.00 0.31 -2.67 0.00 -1.26 0.18 117.00 113.92 1i4v n LEU 40 Ca 0.16 0.74 0.20 0.00 0.00 0.00 0.00 56.01 57.11 1i4v n LEU 40 Cb 0.79 -0.24 0.98 0.00 0.00 0.00 0.00 43.42 44.95 1i4v n LEU 40 CO 0.19 -0.24 1.10 -0.55 0.00 0.00 0.00 177.39 177.88 1i4v h ASN 41 N 0.00 0.00 1.38 1.96 -1.07 -1.94 0.39 115.58 116.29 1i4v h ASN 41 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1i4v h ASN 41 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1i4v h ASN 41 CO 0.00 0.02 -0.16 -0.61 0.07 0.00 0.00 177.43 176.74 1i4v h GLN 42 N 0.00 0.00 0.00 4.14 5.75 -1.63 -2.66 115.11 120.71 1i4v h GLN 42 Ca -0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1i4v h GLN 42 Cb 0.21 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.76 1i4v h GLN 42 CO 0.00 0.00 -1.07 1.47 -2.65 0.00 0.00 178.83 176.58 1i4v n LEU 43 N -2.31 0.00 0.03 -2.39 -0.00 0.47 -4.70 117.00 108.10 1i4v n LEU 43 Ca 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 56.04 1i4v n LEU 43 Cb 0.44 0.02 -0.09 0.00 -0.00 0.00 0.00 43.42 43.80 1i4v n LEU 43 CO 0.32 0.02 -0.27 -0.07 -0.00 0.00 0.00 177.39 177.39 1i4v h LEU 44 N 0.00 0.00 0.00 1.47 4.07 -0.42 -3.49 115.31 116.94 1i4v h LEU 44 Ca -0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1i4v h LEU 44 Cb 0.90 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.64 1i4v h LEU 44 CO 0.00 0.66 0.00 -0.38 -1.08 0.00 0.00 178.44 177.65 1i4v n ILE 45 N -2.95 0.00 0.04 1.22 5.41 -1.09 -5.04 119.36 116.95 1i4v n ILE 45 Ca -0.10 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.65 1i4v n ILE 45 Cb 0.88 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.81 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 -1.64 0.38 1.13 -1.02 -4.60 117.38 111.62 1i4v n GLN 46 Ca 0.00 0.00 -0.44 0.00 -1.94 0.00 0.00 57.00 54.62 1i4v n GLN 46 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.34 1i4v n GLN 46 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1i4v n HIS 47 N -2.86 1.78 -0.27 1.08 8.25 -1.26 -4.87 115.22 117.08 1i4v n HIS 47 Ca 0.00 0.61 -0.06 0.00 -0.26 0.00 0.00 57.72 58.01 1i4v n HIS 47 Cb 0.00 -2.34 0.08 0.00 1.12 0.00 0.00 29.99 28.84 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 2.59 1.15 -0.07 -0.41 0.14 -2.00 -3.38 132.00 130.02 1i4v h PRO 48 Ca -0.43 -0.23 -0.20 0.00 0.14 0.00 0.00 66.00 65.28 1i4v h PRO 48 Cb 1.31 -0.17 -0.18 0.00 0.14 0.00 0.00 31.00 32.10 1i4v h PRO 48 CO 0.64 0.96 -0.39 0.45 0.14 0.00 0.00 178.00 179.80 1i4v n SER 49 N -4.26 -1.32 -1.82 1.44 2.88 -1.26 -4.95 113.62 104.32 1i4v n SER 49 Ca 0.06 -2.31 -0.07 0.00 -1.33 0.00 0.00 58.87 55.22 1i4v n SER 49 Cb 0.21 0.68 0.07 0.00 -0.75 0.00 0.00 64.21 64.42 1i4v n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i4v n ALA 50 N -1.11 3.72 -3.49 -1.46 0.00 -1.26 -5.03 120.51 111.88 1i4v n ALA 50 Ca -0.10 -3.21 -0.21 0.00 0.00 0.00 0.00 53.44 49.92 1i4v n ALA 50 Cb 0.86 -0.53 -0.16 0.00 0.00 0.00 0.00 19.45 19.62 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 -3.42 0.67 0.10 0.00 2.01 -1.26 -1.93 115.64 111.81 1i4v s THR 51 Ca 0.40 -0.22 0.03 0.00 0.31 0.00 0.00 61.69 62.20 1i4v s THR 51 Cb 0.38 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 1i4v s THR 51 CO -0.04 0.25 0.14 -0.31 -0.69 0.00 0.00 174.62 173.97 1i4v s TYR 52 N 0.72 3.29 0.13 4.92 1.51 0.41 -4.75 117.35 123.57 1i4v s TYR 52 Ca -0.11 0.10 -0.04 0.00 -1.01 0.00 0.00 57.07 56.01 1i4v s TYR 52 Cb -0.14 -1.63 -0.03 0.00 -0.11 0.00 0.00 41.96 40.05 1i4v s TYR 52 CO 0.01 0.54 0.13 -0.59 -1.11 0.00 0.00 175.55 174.52 1i4v s PHE 53 N -1.53 0.64 -0.21 2.71 -0.12 -1.26 0.13 117.98 118.35 1i4v s PHE 53 Ca 0.31 -1.03 -0.19 0.00 -0.05 0.00 0.00 56.93 55.97 1i4v s PHE 53 Cb -0.12 -0.31 0.05 0.00 -0.63 0.00 0.00 43.02 42.01 1i4v s PHE 53 CO 0.24 -0.57 0.55 0.54 -0.05 0.00 0.00 175.22 175.93 1i4v s VAL 54 N -4.00 -0.00 0.08 -2.49 0.11 -1.11 -4.95 120.40 108.05 1i4v s VAL 54 Ca 0.19 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.94 1i4v s VAL 54 Cb 0.06 -0.77 -0.06 0.00 -1.53 0.00 0.00 36.38 34.08 1i4v s VAL 54 CO -0.01 0.00 1.25 -0.75 -3.33 0.00 0.00 175.10 172.27 1i4v s LYS 55 N 0.35 4.40 -0.60 1.54 2.36 -1.26 -2.11 119.74 124.42 1i4v s LYS 55 Ca -0.01 1.86 -0.23 0.00 -2.55 0.00 0.00 55.97 55.05 1i4v s LYS 55 Cb -0.04 -3.31 0.06 0.00 -1.05 0.00 0.00 37.83 33.48 1i4v s LYS 55 CO -0.00 -0.31 0.93 0.00 1.55 0.00 0.00 175.35 177.52 1i4v s ALA 56 N 1.04 3.15 -0.41 3.13 0.00 -0.89 -4.89 121.76 122.89 1i4v s ALA 56 Ca 0.60 -1.58 0.11 0.00 0.00 0.00 0.00 51.96 51.09 1i4v s ALA 56 Cb -0.32 -3.77 0.36 0.00 0.00 0.00 0.00 23.12 19.40 1i4v s ALA 56 CO 0.30 -2.55 0.81 0.45 0.00 0.00 0.00 175.76 174.77 1i4v n SER 57 N 7.49 1.82 0.00 0.00 2.88 -1.26 -1.63 113.62 122.93 1i4v n SER 57 Ca -0.02 -3.15 0.00 0.00 -1.33 0.00 0.00 58.87 54.37 1i4v n SER 57 Cb 0.46 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 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 0.10 0.76 0.80 0.46 0.00 -1.26 -4.81 105.19 101.25 1i4v n GLY 58 Ca 0.25 0.16 -0.04 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.62 -0.56 1.61 5.75 -1.26 -1.88 116.55 119.59 1i4v n ASP 59 Ca 0.00 -1.27 0.13 0.00 -0.01 0.00 0.00 54.79 53.64 1i4v n ASP 59 Cb 0.00 0.19 0.33 0.00 -1.03 0.00 0.00 41.12 40.61 1i4v n ASP 59 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1i4v n SER 60 N 0.00 1.84 -1.48 -1.12 3.41 -1.26 -4.34 113.62 110.67 1i4v n SER 60 Ca -0.17 -1.51 -0.04 0.00 -0.26 0.00 0.00 58.87 56.89 1i4v n SER 60 Cb 0.53 0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 64.55 1i4v n SER 60 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1i4v n MET 61 N 0.28 0.34 0.15 4.33 2.81 -1.26 -4.85 117.12 118.92 1i4v n MET 61 Ca 0.15 -1.33 0.19 0.00 -1.81 0.00 0.00 57.70 54.90 1i4v n MET 61 Cb 0.43 0.30 0.76 0.00 -0.71 0.00 0.00 33.22 34.00 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 5.18 0.30 -1.15 2.02 2.04 -1.73 0.30 117.51 124.47 1i4v h ILE 62 Ca -0.47 0.00 0.32 0.00 1.00 0.00 0.00 64.86 65.71 1i4v h ILE 62 Cb 1.46 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 38.14 1i4v h ILE 62 CO -0.18 0.00 0.80 -2.24 0.00 0.00 0.00 178.15 176.52 1i4v h ASP 63 N 0.00 0.15 0.65 1.72 3.04 -1.86 1.01 116.42 121.14 1i4v h ASP 63 Ca 0.15 0.03 -0.27 0.00 -3.24 0.00 0.00 57.03 53.70 1i4v h ASP 63 Cb 0.96 0.01 -0.04 0.00 -1.04 0.00 0.00 39.33 39.22 1i4v h ASP 63 CO -0.00 0.02 -1.46 1.23 -2.04 0.00 0.00 179.24 176.99 1i4v h GLY 64 N 0.13 0.04 0.00 7.15 0.00 -0.59 -3.48 103.07 106.32 1i4v h GLY 64 Ca 0.59 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.82 1i4v h GLY 64 CO -0.12 0.09 0.00 0.61 0.00 0.00 0.00 176.54 177.12 1i4v n GLY 65 N 1.51 1.03 3.56 4.60 0.00 0.35 -4.62 105.19 111.62 1i4v n GLY 65 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.12 3.33 -0.52 -0.61 -5.25 -1.25 -4.85 121.20 111.93 1i4v s ILE 66 Ca 0.00 0.22 0.07 0.00 -0.99 0.00 0.00 60.65 59.95 1i4v s ILE 66 Cb 0.00 -3.78 0.29 0.00 2.95 0.00 0.00 42.46 41.91 1i4v s ILE 66 CO 0.00 -0.73 0.73 -0.24 -1.79 0.00 0.00 174.94 172.91 1i4v n SER 67 N 12.82 2.49 -3.26 4.36 2.88 -1.26 -3.03 113.62 128.62 1i4v n SER 67 Ca 0.23 -3.23 -0.12 0.00 -1.33 0.00 0.00 58.87 54.42 1i4v n SER 67 Cb 0.52 -0.63 0.01 0.00 -0.75 0.00 0.00 64.21 63.36 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 0.67 -6.15 0.00 -3.46 -0.08 -0.79 -4.71 116.55 102.03 1i4v n ASP 68 Ca 0.27 0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.77 1i4v n ASP 68 Cb 0.48 -1.56 0.00 0.00 2.34 0.00 0.00 41.12 42.38 1i4v n ASP 68 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1i4v n GLY 69 N 0.84 0.87 3.89 0.27 0.00 -0.64 -4.89 105.19 105.52 1i4v n GLY 69 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.23 -0.01 -0.10 1.61 -4.77 -1.24 -4.37 116.67 107.56 1i4v s ASP 70 Ca 0.00 -0.34 0.01 0.00 -3.30 0.00 0.00 52.55 48.92 1i4v s ASP 70 Cb 0.00 0.26 0.02 0.00 -1.09 0.00 0.00 42.92 42.11 1i4v s ASP 70 CO 0.00 -0.52 -0.10 -0.22 0.70 0.00 0.00 175.17 175.04 1i4v s LEU 71 N -3.53 1.38 0.27 2.11 1.98 -0.34 -2.10 118.68 118.44 1i4v s LEU 71 Ca 0.24 -0.31 -0.11 0.00 -2.89 0.00 0.00 54.13 51.06 1i4v s LEU 71 Cb -0.00 -0.84 -0.08 0.00 0.66 0.00 0.00 46.19 45.93 1i4v s LEU 71 CO 0.01 -0.06 0.62 -0.22 -1.89 0.00 0.00 176.35 174.81 1i4v s LEU 72 N 1.31 4.12 -0.30 -0.68 0.20 -0.90 0.83 118.68 123.25 1i4v s LEU 72 Ca -0.02 1.05 -0.03 0.00 0.69 0.00 0.00 54.13 55.82 1i4v s LEU 72 Cb -0.14 -3.83 0.10 0.00 -0.43 0.00 0.00 46.19 41.89 1i4v s LEU 72 CO -0.04 -0.13 0.14 -0.63 -0.29 0.00 0.00 176.35 175.39 1i4v s ILE 73 N -1.90 0.09 0.06 6.68 -1.09 0.12 -2.73 121.20 122.43 1i4v s ILE 73 Ca 0.50 -0.97 -0.03 0.00 -2.23 0.00 0.00 60.65 57.93 1i4v s ILE 73 Cb -0.11 -1.09 -0.05 0.00 -1.58 0.00 0.00 42.46 39.63 1i4v s ILE 73 CO 0.20 -0.75 0.26 0.54 -1.23 0.00 0.00 174.94 173.96 1i4v s VAL 74 N 1.91 5.33 -0.54 2.92 0.11 0.35 0.60 120.40 131.08 1i4v s VAL 74 Ca 0.10 -0.16 -0.11 0.00 -2.93 0.00 0.00 61.98 58.89 1i4v s VAL 74 Cb -0.17 -3.60 0.14 0.00 -1.53 0.00 0.00 36.38 31.21 1i4v s VAL 74 CO -0.31 0.18 0.43 -1.81 -3.33 0.00 0.00 175.10 170.26 1i4v s ASP 75 N -2.27 5.88 -0.67 3.54 1.11 -1.09 0.15 116.67 123.33 1i4v s ASP 75 Ca 0.34 -2.04 -0.25 0.00 0.18 0.00 0.00 52.55 50.77 1i4v s ASP 75 Cb -0.13 -2.06 0.05 0.00 1.07 0.00 0.00 42.92 41.85 1i4v s ASP 75 CO 0.24 -0.69 1.11 -0.94 1.18 0.00 0.00 175.17 176.07 1i4v s SER 76 N 2.66 6.22 0.00 0.27 1.04 -0.81 -1.20 113.70 121.88 1i4v s SER 76 Ca 0.07 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1i4v s SER 76 Cb -0.25 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1i4v s SER 76 CO -0.01 -1.57 0.00 0.00 0.98 0.00 0.00 173.24 172.64 1i4v n ALA 77 N 8.41 0.00 -2.55 5.32 0.00 -1.16 -4.16 120.51 126.37 1i4v n ALA 77 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.22 1i4v n ALA 77 Cb 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.42 3.05 -0.23 0.00 1.01 -1.26 -5.00 121.20 117.35 1i4v s ILE 78 Ca 0.00 -1.79 -0.18 0.00 0.00 0.00 0.00 60.65 58.68 1i4v s ILE 78 Cb 0.00 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.52 1i4v s ILE 78 CO 0.00 -0.23 0.51 -0.89 0.00 0.00 0.00 174.94 174.34 1i4v s THR 79 N -2.42 5.09 0.00 2.92 2.01 -1.26 -3.30 115.64 118.68 1i4v s THR 79 Ca 0.36 0.91 0.00 0.00 0.31 0.00 0.00 61.69 63.27 1i4v s THR 79 Cb -0.03 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.65 1i4v s THR 79 CO 0.21 0.13 0.00 0.00 -0.69 0.00 0.00 174.62 174.28 1i4v n ALA 80 N 5.16 0.00 -3.12 7.40 0.00 -0.89 -4.90 120.51 124.16 1i4v n ALA 80 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.28 1i4v n ALA 80 Cb 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.54 -0.01 0.46 0.00 0.01 -1.26 -5.05 113.70 106.30 1i4v s SER 81 Ca 0.00 -0.13 -0.25 0.00 1.31 0.00 0.00 55.95 56.88 1i4v s SER 81 Cb 0.00 0.23 -0.08 0.00 0.21 0.00 0.00 66.02 66.38 1i4v s SER 81 CO 0.00 -0.36 1.41 -1.00 0.41 0.00 0.00 173.24 173.70 1i4v s HIS 82 N -1.27 2.47 0.00 2.43 3.76 -1.26 -3.48 115.29 117.93 1i4v s HIS 82 Ca -0.14 1.29 0.00 0.00 -0.15 0.00 0.00 55.06 56.06 1i4v s HIS 82 Cb -0.07 -3.88 0.00 0.00 1.11 0.00 0.00 32.58 29.74 1i4v s HIS 82 CO 0.02 -2.86 0.00 0.41 -0.85 0.00 0.00 174.74 171.46 1i4v n GLY 83 N 0.60 1.06 3.43 -2.22 0.00 -1.21 -5.02 105.19 101.83 1i4v n GLY 83 Ca 0.06 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.50 -0.52 -0.95 1.61 1.01 -1.23 -5.01 116.67 109.08 1i4v s ASP 84 Ca 0.00 0.24 -0.24 0.00 0.71 0.00 0.00 52.55 53.26 1i4v s ASP 84 Cb 0.00 0.53 -0.02 0.00 1.01 0.00 0.00 42.92 44.44 1i4v s ASP 84 CO 0.00 -0.77 1.82 -0.51 0.21 0.00 0.00 175.17 175.92 1i4v s ILE 85 N -2.54 3.58 0.32 0.77 2.07 -1.26 -3.58 121.20 120.56 1i4v s ILE 85 Ca -0.05 -0.51 0.10 0.00 -1.41 0.00 0.00 60.65 58.78 1i4v s ILE 85 Cb -0.01 -4.31 -0.06 0.00 0.13 0.00 0.00 42.46 38.21 1i4v s ILE 85 CO -0.02 -1.21 -0.14 0.68 -1.91 0.00 0.00 174.94 172.34 1i4v s VAL 86 N 8.76 2.33 -0.34 4.00 -7.23 -1.24 -4.35 120.40 122.33 1i4v s VAL 86 Ca 0.64 -2.29 -0.21 0.00 -1.81 0.00 0.00 61.98 58.31 1i4v s VAL 86 Cb -0.05 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.39 1i4v s VAL 86 CO -0.02 -0.28 0.67 -0.51 -0.31 0.00 0.00 175.10 174.65 1i4v s ILE 87 N -2.57 4.86 0.38 -0.62 1.10 -1.26 -3.06 121.20 120.03 1i4v s ILE 87 Ca 0.31 0.74 -0.06 0.00 -0.51 0.00 0.00 60.65 61.13 1i4v s ILE 87 Cb -0.00 -4.09 -0.05 0.00 0.15 0.00 0.00 42.46 38.46 1i4v s ILE 87 CO 0.16 -0.30 0.68 0.00 -2.11 0.00 0.00 174.94 173.37 1i4v s ALA 88 N 2.78 3.48 -0.09 1.50 0.00 -0.30 -1.41 121.76 127.73 1i4v s ALA 88 Ca 0.26 -0.46 -0.07 0.00 0.00 0.00 0.00 51.96 51.70 1i4v s ALA 88 Cb -0.14 -2.49 0.03 0.00 0.00 0.00 0.00 23.12 20.52 1i4v s ALA 88 CO 0.14 -0.01 0.24 0.00 0.00 0.00 0.00 175.76 176.13 1i4v s ALA 89 N -2.36 -0.56 -0.20 0.00 0.00 -0.26 -2.54 121.76 115.84 1i4v s ALA 89 Ca 0.47 0.80 -0.08 0.00 0.00 0.00 0.00 51.96 53.15 1i4v s ALA 89 Cb -0.10 -0.49 0.08 0.00 0.00 0.00 0.00 23.12 22.61 1i4v s ALA 89 CO 0.35 -0.15 0.44 0.54 0.00 0.00 0.00 175.76 176.94 1i4v s VAL 90 N 0.63 -0.49 -1.51 0.00 0.11 -1.25 -2.86 120.40 115.03 1i4v s VAL 90 Ca -0.04 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1i4v s VAL 90 Cb -0.06 -0.69 0.00 0.00 -1.53 0.00 0.00 36.38 34.11 1i4v s VAL 90 CO -0.04 0.06 0.00 0.47 -3.33 0.00 0.00 175.10 172.26 1i4v n ASP 91 N 5.08 -3.91 -0.01 3.54 8.00 -1.26 -1.45 116.55 126.54 1i4v n ASP 91 Ca -0.13 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.71 1i4v n ASP 91 Cb 0.51 -3.56 0.00 0.00 -0.02 0.00 0.00 41.12 38.05 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 -0.34 1.60 3.84 0.44 0.00 -1.26 -5.11 105.19 104.37 1i4v n GLY 92 Ca -0.15 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.86 2.80 -0.23 1.61 2.02 -0.53 -5.11 118.70 118.39 1i4v s GLU 93 Ca 0.00 -1.21 -0.03 0.00 0.02 0.00 0.00 54.97 53.75 1i4v s GLU 93 Cb 0.00 -2.51 0.10 0.00 0.10 0.00 0.00 34.13 31.82 1i4v s GLU 93 CO 0.00 0.20 0.20 0.12 0.02 0.00 0.00 175.26 175.80 1i4v s PHE 94 N -2.24 -0.13 0.15 1.61 5.36 -1.26 -3.83 117.98 117.63 1i4v s PHE 94 Ca 0.38 -0.15 0.07 0.00 -0.96 0.00 0.00 56.93 56.27 1i4v s PHE 94 Cb -0.07 -0.54 -0.04 0.00 -0.34 0.00 0.00 43.02 42.04 1i4v s PHE 94 CO 0.26 -0.70 -0.16 0.95 -1.46 0.00 0.00 175.22 174.10 1i4v s THR 95 N 2.26 1.62 -0.25 0.12 -4.23 -1.05 -4.96 115.64 109.16 1i4v s THR 95 Ca 0.07 -1.86 0.01 0.00 -1.18 0.00 0.00 61.69 58.72 1i4v s THR 95 Cb -0.15 -1.74 0.07 0.00 1.34 0.00 0.00 72.50 72.01 1i4v s THR 95 CO -0.21 -0.38 -0.03 -0.69 -0.54 0.00 0.00 174.62 172.77 1i4v s VAL 96 N -2.17 1.51 -0.17 2.29 1.01 -1.26 -1.15 120.40 120.47 1i4v s VAL 96 Ca 0.14 -1.29 -0.35 0.00 0.00 0.00 0.00 61.98 60.48 1i4v s VAL 96 Cb -0.05 -1.82 0.15 0.00 0.00 0.00 0.00 36.38 34.65 1i4v s VAL 96 CO 0.05 -0.18 1.35 -1.59 0.00 0.00 0.00 175.10 174.74 1i4v s LYS 97 N 1.39 0.14 -0.99 2.72 0.00 -1.17 -4.38 119.74 117.45 1i4v s LYS 97 Ca -0.04 -0.07 -0.23 0.00 0.00 0.00 0.00 55.97 55.63 1i4v s LYS 97 Cb -0.19 0.06 0.02 0.00 0.00 0.00 0.00 37.83 37.72 1i4v s LYS 97 CO -0.08 -0.06 1.61 0.15 0.00 0.00 0.00 175.35 176.97 1i4v s LYS 98 N -2.17 3.27 0.16 1.78 1.02 -1.23 -3.61 119.74 118.96 1i4v s LYS 98 Ca 0.13 -0.87 -0.06 0.00 0.02 0.00 0.00 55.97 55.18 1i4v s LYS 98 Cb 0.03 -5.27 -0.06 0.00 -0.52 0.00 0.00 37.83 32.01 1i4v s LYS 98 CO -0.04 -2.58 0.42 -0.48 -0.92 0.00 0.00 175.35 171.74 1i4v s LEU 99 N 6.59 4.24 -0.09 3.17 2.34 -1.26 -4.66 118.68 129.02 1i4v s LEU 99 Ca 0.54 0.68 0.04 0.00 0.06 0.00 0.00 54.13 55.45 1i4v s LEU 99 Cb -0.02 -3.40 -0.00 0.00 -0.56 0.00 0.00 46.19 42.21 1i4v s LEU 99 CO -0.07 0.02 -0.23 -1.10 -1.06 0.00 0.00 176.35 173.92 1i4v s GLN 100 N -2.68 2.82 0.00 1.48 -0.21 -1.14 -3.35 119.66 116.58 1i4v s GLN 100 Ca 0.42 -0.83 0.00 0.00 0.02 0.00 0.00 55.36 54.97 1i4v s GLN 100 Cb -0.12 -2.18 0.00 0.00 1.00 0.00 0.00 33.01 31.71 1i4v s GLN 100 CO 0.24 0.20 0.00 1.28 -2.12 0.00 0.00 175.29 174.88 1i4v n LEU 101 N 3.45 0.00 -0.02 2.90 4.77 -1.21 -2.02 117.00 124.86 1i4v n LEU 101 Ca -0.19 -0.34 -0.03 0.00 -0.03 0.00 0.00 56.01 55.41 1i4v n LEU 101 Cb 0.53 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1i4v n LEU 101 CO 0.27 0.00 0.09 0.03 -1.33 0.00 0.00 177.39 176.45 1i4v h ARG 102 N 0.00 -0.07 0.37 3.23 -0.00 -2.00 -3.38 114.38 112.54 1i4v h ARG 102 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.47 1i4v h ARG 102 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 29.97 29.99 1i4v h ARG 102 CO 0.00 0.09 -0.18 -1.00 0.00 0.00 0.00 179.97 178.88 1i4v h PRO 103 N -1.01 -0.48 -2.96 0.04 0.13 -2.02 -3.46 132.00 122.25 1i4v h PRO 103 Ca -0.01 0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 65.05 1i4v h PRO 103 Cb 0.19 0.11 -0.19 0.00 0.13 0.00 0.00 31.00 31.24 1i4v h PRO 103 CO 0.01 -0.23 -0.19 0.99 -0.23 0.00 0.00 178.00 178.35 1i4v s THR 104 N -5.44 0.05 -0.63 1.56 2.01 -1.26 -5.11 115.64 106.82 1i4v s THR 104 Ca -0.15 -0.45 -0.26 0.00 0.31 0.00 0.00 61.69 61.13 1i4v s THR 104 Cb 0.03 -0.76 0.04 0.00 0.01 0.00 0.00 72.50 71.82 1i4v s THR 104 CO 0.60 -0.25 1.15 0.68 -0.69 0.00 0.00 174.62 176.10 1i4v s VAL 105 N -1.67 4.03 -0.09 3.82 -7.23 -1.26 -3.36 120.40 114.65 1i4v s VAL 105 Ca -0.11 0.49 -0.15 0.00 -1.81 0.00 0.00 61.98 60.40 1i4v s VAL 105 Cb -0.03 -4.75 0.03 0.00 0.56 0.00 0.00 36.38 32.19 1i4v s VAL 105 CO 0.03 -1.47 0.37 -1.10 -0.31 0.00 0.00 175.10 172.62 1i4v s GLN 106 N 4.90 0.58 0.22 4.82 -0.21 -0.86 -1.92 119.66 127.20 1i4v s GLN 106 Ca 0.36 0.22 0.11 0.00 0.02 0.00 0.00 55.36 56.07 1i4v s GLN 106 Cb -0.10 0.27 -0.05 0.00 1.00 0.00 0.00 33.01 34.14 1i4v s GLN 106 CO 0.19 -0.12 -0.16 -1.17 -2.12 0.00 0.00 175.29 171.90 1i4v s LEU 107 N -0.51 2.70 -0.21 2.90 2.96 -0.55 -2.86 118.68 123.11 1i4v s LEU 107 Ca -0.06 -0.82 -0.04 0.00 -0.22 0.00 0.00 54.13 52.99 1i4v s LEU 107 Cb -0.04 -1.34 0.10 0.00 0.50 0.00 0.00 46.19 45.42 1i4v s LEU 107 CO 0.03 0.08 0.25 -0.51 -1.32 0.00 0.00 176.35 174.88 1i4v s ILE 108 N -2.00 -0.38 0.86 6.68 -1.16 -1.26 -2.59 121.20 121.36 1i4v s ILE 108 Ca 0.26 -0.11 -0.11 0.00 -0.51 0.00 0.00 60.65 60.18 1i4v s ILE 108 Cb -0.07 -0.71 0.11 0.00 0.61 0.00 0.00 42.46 42.40 1i4v s ILE 108 CO 0.14 -0.20 1.14 -2.16 -2.81 0.00 0.00 174.94 171.05 1i4v s PRO 109 N 2.37 1.43 0.00 3.50 0.05 -1.26 -4.57 135.00 136.51 1i4v s PRO 109 Ca 0.08 1.48 0.00 0.00 0.05 0.00 0.00 61.00 62.61 1i4v s PRO 109 Cb -0.16 -1.78 0.00 0.00 0.05 0.00 0.00 34.50 32.61 1i4v s PRO 109 CO -0.13 -2.31 0.00 -1.33 0.05 0.00 0.00 177.00 173.28 1i4v n MET 110 N -3.91 2.26 -0.01 4.56 0.00 -1.26 -4.55 117.12 114.20 1i4v n MET 110 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.80 1i4v n MET 110 Cb 0.52 -0.69 -0.01 0.00 0.00 0.00 0.00 33.22 33.03 1i4v n MET 110 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 175.97 175.00 1i4v h ASN 111 N 0.00 -0.22 0.00 7.83 -1.24 -1.90 -3.45 115.58 116.60 1i4v h ASN 111 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.04 1i4v h ASN 111 Cb 0.26 0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.40 1i4v h ASN 111 CO 0.00 -0.05 0.00 -1.54 -1.29 0.00 0.00 177.43 174.55 1i4v n SER 112 N -2.98 0.00 -3.20 1.15 3.41 -1.26 -4.92 113.62 105.81 1i4v n SER 112 Ca -0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 1i4v n SER 112 Cb 0.04 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 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 -1.10 6.71 -1.82 7.33 0.00 -1.26 -4.92 120.51 125.45 1i4v n ALA 113 Ca 0.00 -3.00 -0.42 0.00 0.00 0.00 0.00 53.44 50.02 1i4v n ALA 113 Cb 0.00 -3.21 -0.03 0.00 0.00 0.00 0.00 19.45 16.21 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 2.45 2.61 -0.37 0.00 1.13 -1.26 -4.63 117.35 117.27 1i4v s TYR 114 Ca 0.61 0.30 0.05 0.00 -1.41 0.00 0.00 57.07 56.62 1i4v s TYR 114 Cb 0.16 -4.06 0.18 0.00 -1.10 0.00 0.00 41.96 37.15 1i4v s TYR 114 CO -0.05 -4.17 0.69 -1.12 -2.51 0.00 0.00 175.55 168.39 1i4v s SER 115 N 1.89 -1.36 0.06 -0.18 0.01 -1.26 -4.99 113.70 107.86 1i4v s SER 115 Ca 0.75 -0.51 -0.30 0.00 1.31 0.00 0.00 55.95 57.20 1i4v s SER 115 Cb -0.45 1.76 -0.09 0.00 0.21 0.00 0.00 66.02 67.44 1i4v s SER 115 CO 0.33 -0.17 1.95 -2.65 0.41 0.00 0.00 173.24 173.11 1i4v n PRO 116 N 4.52 2.86 -4.20 12.44 -0.01 -1.26 -4.58 135.00 144.77 1i4v n PRO 116 Ca 0.09 1.05 -0.19 0.00 -0.01 0.00 0.00 63.50 64.44 1i4v n PRO 116 Cb 0.57 -2.99 -0.12 0.00 -0.01 0.00 0.00 33.50 30.95 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 4.07 1.25 0.21 4.25 2.07 -1.07 -4.99 121.20 127.00 1i4v s ILE 117 Ca 0.87 -1.41 0.03 0.00 -1.41 0.00 0.00 60.65 58.74 1i4v s ILE 117 Cb -0.44 -1.22 -0.03 0.00 0.13 0.00 0.00 42.46 40.89 1i4v s ILE 117 CO 0.41 -0.22 0.35 0.28 -1.91 0.00 0.00 174.94 173.85 1i4v s THR 118 N -1.37 5.27 0.65 4.00 -1.32 -1.26 -1.48 115.64 120.13 1i4v s THR 118 Ca 0.01 -0.76 -0.03 0.00 -1.21 0.00 0.00 61.69 59.70 1i4v s THR 118 Cb -0.09 -3.80 0.06 0.00 -1.51 0.00 0.00 72.50 67.15 1i4v s THR 118 CO 0.03 -0.24 0.93 -0.63 -2.21 0.00 0.00 174.62 172.49 1i4v s ILE 119 N -1.91 2.41 -1.12 5.08 -1.09 -0.81 -4.93 121.20 118.83 1i4v s ILE 119 Ca 0.35 -0.43 -0.21 0.00 -2.23 0.00 0.00 60.65 58.13 1i4v s ILE 119 Cb -0.10 -2.98 -0.07 0.00 -1.58 0.00 0.00 42.46 37.74 1i4v s ILE 119 CO 0.29 0.00 1.92 -0.24 -1.23 0.00 0.00 174.94 175.68 1i4v n SER 120 N -2.71 3.36 -3.68 3.58 2.88 -1.26 -4.18 113.62 111.61 1i4v n SER 120 Ca 0.09 -2.75 -0.22 0.00 -1.33 0.00 0.00 58.87 54.65 1i4v n SER 120 Cb 0.60 -1.57 0.03 0.00 -0.75 0.00 0.00 64.21 62.52 1i4v n SER 120 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1i4v n SER 121 N 10.72 -1.98 -3.94 -3.46 2.88 -1.26 -1.53 113.62 115.04 1i4v n SER 121 Ca 0.48 -0.85 -0.29 0.00 -1.33 0.00 0.00 58.87 56.87 1i4v n SER 121 Cb 0.44 -3.98 0.01 0.00 -0.75 0.00 0.00 64.21 59.93 1i4v n SER 121 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1i4v n GLU 122 N -4.20 -4.78 0.00 -1.46 2.13 -1.26 -4.90 120.64 106.17 1i4v n GLU 122 Ca -0.26 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.10 1i4v n GLU 122 Cb 0.66 -5.27 0.00 0.00 0.27 0.00 0.00 31.44 27.10 1i4v n GLU 122 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1i4v n ASP 123 N -2.85 0.00 -3.18 4.31 9.92 -0.58 -4.67 116.55 119.50 1i4v n ASP 123 Ca -0.04 0.66 -0.18 0.00 -0.53 0.00 0.00 54.79 54.70 1i4v n ASP 123 Cb 0.56 -0.16 -0.06 0.00 -0.64 0.00 0.00 41.12 40.82 1i4v n ASP 123 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1i4v s THR 124 N -1.65 -0.22 -0.28 -3.53 2.01 -1.26 -5.09 115.64 105.61 1i4v s THR 124 Ca 0.00 -1.82 0.01 0.00 0.31 0.00 0.00 61.69 60.19 1i4v s THR 124 Cb 0.00 -0.73 0.08 0.00 0.01 0.00 0.00 72.50 71.86 1i4v s THR 124 CO 0.00 -0.72 0.01 -0.22 -0.69 0.00 0.00 174.62 173.01 1i4v s LEU 125 N 0.56 3.18 -0.00 4.42 1.98 -1.26 -4.20 118.68 123.35 1i4v s LEU 125 Ca 0.29 -1.59 -0.10 0.00 -2.89 0.00 0.00 54.13 49.85 1i4v s LEU 125 Cb -0.01 -1.25 0.01 0.00 0.66 0.00 0.00 46.19 45.60 1i4v s LEU 125 CO -0.12 -0.32 0.20 -0.62 -1.89 0.00 0.00 176.35 173.60 1i4v s ASP 126 N 1.29 -0.05 0.53 3.68 2.15 -1.13 -4.96 116.67 118.18 1i4v s ASP 126 Ca 0.03 -0.10 -0.20 0.00 0.43 0.00 0.00 52.55 52.71 1i4v s ASP 126 Cb -0.19 0.25 -0.06 0.00 -0.30 0.00 0.00 42.92 42.62 1i4v s ASP 126 CO -0.11 -0.39 1.12 -0.69 -0.17 0.00 0.00 175.17 174.92 1i4v s VAL 127 N -1.34 3.26 -0.17 1.11 1.01 -1.26 -1.10 120.40 121.91 1i4v s VAL 127 Ca -0.14 0.79 0.17 0.00 0.00 0.00 0.00 61.98 62.79 1i4v s VAL 127 Cb -0.07 -3.32 -0.23 0.00 0.00 0.00 0.00 36.38 32.76 1i4v s VAL 127 CO 0.02 -0.17 0.10 0.33 0.00 0.00 0.00 175.10 175.38 1i4v n PHE 128 N -1.24 0.00 -1.88 5.22 7.35 -0.50 -4.82 117.46 121.59 1i4v n PHE 128 Ca 0.11 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.80 1i4v n PHE 128 Cb 0.51 -0.87 0.00 0.00 0.35 0.00 0.00 39.48 39.48 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 1.83 5.04 0.15 7.13 0.00 -1.25 -2.98 105.19 115.11 1i4v n GLY 129 Ca -0.28 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 -3.65 1.61 3.14 -0.34 -2.10 118.33 116.99 1i4v n VAL 130 Ca 0.00 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.37 1i4v n VAL 130 Cb 0.00 0.55 -0.01 0.00 -1.06 0.00 0.00 33.84 33.32 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 -0.42 1.55 0.11 -1.26 -4.80 120.40 115.59 1i4v s VAL 131 Ca 0.00 -0.32 0.04 0.00 -2.93 0.00 0.00 61.98 58.77 1i4v s VAL 131 Cb 0.00 -1.89 0.17 0.00 -1.53 0.00 0.00 36.38 33.13 1i4v s VAL 131 CO 0.00 0.00 0.44 -0.63 -3.33 0.00 0.00 175.10 171.58 1i4v s ILE 132 N -2.69 -0.25 -0.42 7.04 1.09 -1.26 -2.67 121.20 122.05 1i4v s ILE 132 Ca 0.13 -1.55 -0.29 0.00 -1.10 0.00 0.00 60.65 57.84 1i4v s ILE 132 Cb 0.02 -0.72 0.02 0.00 -1.06 0.00 0.00 42.46 40.73 1i4v s ILE 132 CO -0.02 -0.68 1.11 -1.00 -0.10 0.00 0.00 174.94 174.24 1i4v s HIS 133 N 0.85 2.95 0.28 3.97 3.76 0.20 -4.74 115.29 122.56 1i4v s HIS 133 Ca 0.25 0.89 -0.19 0.00 -0.15 0.00 0.00 55.06 55.86 1i4v s HIS 133 Cb -0.06 -4.13 -0.09 0.00 1.11 0.00 0.00 32.58 29.41 1i4v s HIS 133 CO -0.09 -1.07 0.77 0.54 -0.85 0.00 0.00 174.74 174.05 1i4v s VAL 134 N 4.12 4.54 -0.29 -0.90 0.11 -1.26 0.14 120.40 126.85 1i4v s VAL 134 Ca 0.47 1.27 0.02 0.00 -2.93 0.00 0.00 61.98 60.81 1i4v s VAL 134 Cb -0.09 -3.78 0.08 0.00 -1.53 0.00 0.00 36.38 31.06 1i4v s VAL 134 CO 0.25 0.04 0.00 -0.69 -3.33 0.00 0.00 175.10 171.37 1i4v s VAL 135 N -1.72 1.81 -0.53 2.04 1.01 0.24 -4.94 120.40 118.31 1i4v s VAL 135 Ca 0.49 -1.74 -0.24 0.00 0.00 0.00 0.00 61.98 60.49 1i4v s VAL 135 Cb -0.14 -2.19 0.04 0.00 0.00 0.00 0.00 36.38 34.09 1i4v s VAL 135 CO 0.20 -0.37 0.90 -0.75 0.00 0.00 0.00 175.10 175.07 1i4v s LYS 136 N 1.20 3.34 -0.41 2.72 2.20 -1.26 -1.20 119.74 126.33 1i4v s LYS 136 Ca 0.03 -0.25 -0.29 0.00 -0.36 0.00 0.00 55.97 55.09 1i4v s LYS 136 Cb -0.19 -4.03 0.02 0.00 -1.51 0.00 0.00 37.83 32.12 1i4v s LYS 136 CO -0.10 -1.40 1.12 0.00 -0.36 0.00 0.00 175.35 174.61 1i4v s ALA 137 N 3.75 3.30 -0.23 3.13 0.00 -1.26 -5.00 121.76 125.46 1i4v s ALA 137 Ca 0.30 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.99 1i4v s ALA 137 Cb -0.13 -3.80 0.04 0.00 0.00 0.00 0.00 23.12 19.23 1i4v s ALA 137 CO 0.20 -1.92 -0.13 -1.64 0.00 0.00 0.00 175.76 172.27 1i4v s MET 138 N 4.11 2.66 0.00 0.00 -1.94 -1.26 -4.99 119.30 117.88 1i4v s MET 138 Ca 0.47 -1.07 0.08 0.00 -1.71 0.00 0.00 55.69 53.46 1i4v s MET 138 Cb -0.09 -2.80 0.06 0.00 2.01 0.00 0.00 34.83 34.00 1i4v s MET 138 CO 0.25 -0.40 0.74 2.89 -0.01 0.00 0.00 175.02 178.49