#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 -0.85 0.00 0.00 -0.71 -1.26 -5.17 117.98 110.00 1i4v s PHE 26 Ca 0.00 1.88 0.00 0.00 -1.04 0.00 0.00 56.93 57.77 1i4v s PHE 26 Cb 0.00 0.42 0.00 0.00 -1.21 0.00 0.00 43.02 42.23 1i4v s PHE 26 CO 0.00 -0.41 0.00 -0.35 -1.34 0.00 0.00 175.22 173.12 1i4v n PRO 27 N 3.29 1.11 -3.38 1.99 -0.05 -1.26 -4.63 135.00 132.07 1i4v n PRO 27 Ca -0.16 0.00 -0.12 0.00 -0.05 0.00 0.00 63.50 63.16 1i4v n PRO 27 Cb 0.57 0.00 0.01 0.00 -0.05 0.00 0.00 33.50 34.03 1i4v n PRO 27 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 175.50 175.88 1i4v n SER 28 N 0.00 -6.52 -4.56 3.54 7.64 -1.26 -4.73 113.62 107.74 1i4v n SER 28 Ca 0.00 -0.50 -0.25 0.00 1.01 0.00 0.00 58.87 59.13 1i4v n SER 28 Cb 0.00 -3.93 -0.05 0.00 -1.01 0.00 0.00 64.21 59.22 1i4v n SER 28 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1i4v s PRO 29 N -4.05 1.92 -1.08 1.43 0.05 -1.26 -4.85 135.00 127.15 1i4v s PRO 29 Ca 0.08 0.79 -0.23 0.00 0.05 0.00 0.00 61.00 61.70 1i4v s PRO 29 Cb -0.02 -4.70 -0.06 0.00 0.05 0.00 0.00 34.50 29.76 1i4v s PRO 29 CO 0.81 -3.83 1.91 0.00 0.05 0.00 0.00 177.00 175.95 1i4v s ALA 30 N 13.14 1.86 -0.33 8.56 0.00 -1.26 -4.41 121.76 139.32 1i4v s ALA 30 Ca 0.91 -1.97 0.11 0.00 0.00 0.00 0.00 51.96 51.02 1i4v s ALA 30 Cb -0.14 -4.63 0.38 0.00 0.00 0.00 0.00 23.12 18.73 1i4v s ALA 30 CO 0.15 -4.92 1.45 0.00 0.00 0.00 0.00 175.76 172.43 1i4v n ALA 31 N 13.73 2.22 -0.02 0.00 0.00 -1.26 -4.95 120.51 130.24 1i4v n ALA 31 Ca 0.43 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1i4v n ALA 31 Cb 0.47 -0.84 -0.05 0.00 0.00 0.00 0.00 19.45 19.02 1i4v n ALA 31 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1i4v n ASP 32 N -1.27 3.40 -4.18 0.00 -0.08 -1.26 -5.02 116.55 108.13 1i4v n ASP 32 Ca -0.14 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 52.95 1i4v n ASP 32 Cb 0.85 0.99 -0.12 0.00 2.34 0.00 0.00 41.12 45.18 1i4v n ASP 32 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 1i4v s TYR 33 N -2.32 1.29 0.29 -0.67 -0.85 -1.26 -5.16 117.35 108.67 1i4v s TYR 33 Ca -0.03 -0.44 0.03 0.00 -0.52 0.00 0.00 57.07 56.11 1i4v s TYR 33 Cb 0.03 -0.73 -0.06 0.00 0.38 0.00 0.00 41.96 41.59 1i4v s TYR 33 CO 0.28 0.07 0.06 0.14 -1.52 0.00 0.00 175.55 174.58 1i4v s VAL 34 N -1.21 1.00 -0.28 -3.49 -7.23 -1.26 -5.13 120.40 102.80 1i4v s VAL 34 Ca -0.01 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.06 1i4v s VAL 34 Cb -0.10 -2.67 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 1i4v s VAL 34 CO 0.02 -0.06 0.14 -1.61 -0.31 0.00 0.00 175.10 173.28 1i4v s GLU 35 N -3.92 3.69 0.16 4.82 0.41 -1.26 -4.91 118.70 117.69 1i4v s GLU 35 Ca 0.35 -0.48 0.00 0.00 -0.41 0.00 0.00 54.97 54.44 1i4v s GLU 35 Cb 0.08 -3.52 0.00 0.00 -1.78 0.00 0.00 34.13 28.91 1i4v s GLU 35 CO 0.14 -0.24 0.00 0.94 -0.49 0.00 0.00 175.26 175.60 1i4v n GLN 36 N 4.99 0.00 -3.55 1.61 -0.06 -1.26 -5.05 117.38 114.06 1i4v n GLN 36 Ca -0.15 0.00 -0.29 0.00 -2.00 0.00 0.00 57.00 54.56 1i4v n GLN 36 Cb 0.51 -0.08 -0.14 0.00 -4.06 0.00 0.00 30.24 26.48 1i4v n GLN 36 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1i4v s ARG 37 N -1.65 0.44 -0.33 3.69 0.52 -1.26 -4.96 118.95 115.41 1i4v s ARG 37 Ca 0.00 -0.95 0.10 0.00 -0.52 0.00 0.00 55.73 54.37 1i4v s ARG 37 Cb 0.00 -1.39 0.36 0.00 0.52 0.00 0.00 34.95 34.43 1i4v s ARG 37 CO 0.00 -1.08 1.39 1.51 0.02 0.00 0.00 175.30 177.13 1i4v n ILE 38 N 4.71 0.00 -2.33 1.52 3.06 -1.26 -5.03 119.36 120.03 1i4v n ILE 38 Ca 0.01 -1.06 -0.42 0.00 -2.50 0.00 0.00 62.75 58.78 1i4v n ILE 38 Cb 0.40 0.94 0.00 0.00 0.54 0.00 0.00 39.64 41.52 1i4v n ILE 38 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1i4v n ASP 39 N -1.09 5.46 -0.24 9.51 -0.08 -1.26 -4.79 116.55 124.06 1i4v n ASP 39 Ca -0.12 -3.13 0.02 0.00 -1.51 0.00 0.00 54.79 50.04 1i4v n ASP 39 Cb 0.83 -1.45 0.14 0.00 2.34 0.00 0.00 41.12 42.98 1i4v n ASP 39 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1i4v h LEU 40 N 7.49 0.38 -0.97 -2.67 -0.00 -1.97 1.23 115.31 118.80 1i4v h LEU 40 Ca 0.42 0.07 0.14 0.00 -0.00 0.00 0.00 57.88 58.51 1i4v h LEU 40 Cb 0.59 0.02 -0.09 0.00 -0.00 0.00 0.00 40.66 41.18 1i4v h LEU 40 CO 1.60 0.20 0.58 -0.55 -0.00 0.00 0.00 178.44 180.28 1i4v h ASN 41 N 0.53 0.81 0.88 -0.43 7.08 -1.95 0.94 115.58 123.44 1i4v h ASN 41 Ca 0.36 0.07 0.00 0.00 -3.08 0.00 0.00 56.30 53.64 1i4v h ASN 41 Cb 0.43 -0.09 0.00 0.00 -2.08 0.00 0.00 38.32 36.58 1i4v h ASN 41 CO -0.31 0.39 -0.85 -0.61 -2.08 0.00 0.00 177.43 173.97 1i4v h GLN 42 N 0.86 0.00 0.36 4.14 5.75 -1.34 -2.77 115.11 122.11 1i4v h GLN 42 Ca 0.51 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.99 1i4v h GLN 42 Cb 0.61 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.16 1i4v h GLN 42 CO -0.31 0.00 -0.17 1.25 -2.65 0.00 0.00 178.83 176.95 1i4v h LEU 43 N 0.00 -0.41 0.00 -2.39 6.46 0.40 -3.30 115.31 116.07 1i4v h LEU 43 Ca 0.00 0.01 -0.14 0.00 -0.12 0.00 0.00 57.88 57.64 1i4v h LEU 43 Cb 0.86 0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.88 1i4v h LEU 43 CO 0.00 -0.26 -0.78 -0.07 -0.62 0.00 0.00 178.44 176.71 1i4v h LEU 44 N -0.54 0.00 0.00 2.25 -0.00 -1.62 -3.47 115.31 111.93 1i4v h LEU 44 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1i4v h LEU 44 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.03 1i4v h LEU 44 CO 0.08 0.59 0.00 -0.38 -0.00 0.00 0.00 178.44 178.73 1i4v n ILE 45 N -3.17 0.00 0.00 1.22 5.41 -1.05 -5.09 119.36 116.68 1i4v n ILE 45 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 1i4v n ILE 45 Cb 0.79 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.72 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 -1.46 0.38 6.02 -1.19 -4.44 117.38 116.70 1i4v n GLN 46 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.64 1i4v n GLN 46 Cb 0.00 0.00 0.09 0.00 1.02 0.00 0.00 30.24 31.35 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 -0.54 1.64 -0.13 1.08 8.25 -1.26 -4.86 115.22 119.40 1i4v n HIS 47 Ca 0.00 0.41 -0.09 0.00 -0.26 0.00 0.00 57.72 57.78 1i4v n HIS 47 Cb 0.00 -2.20 -0.01 0.00 1.12 0.00 0.00 29.99 28.90 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 -0.09 0.58 -0.68 -0.41 0.14 -2.00 -3.42 132.00 126.11 1i4v h PRO 48 Ca -0.49 -0.10 -0.10 0.00 0.14 0.00 0.00 66.00 65.46 1i4v h PRO 48 Cb 1.32 -0.10 -0.16 0.00 0.14 0.00 0.00 31.00 32.21 1i4v h PRO 48 CO 0.50 0.54 -0.36 0.45 0.14 0.00 0.00 178.00 179.26 1i4v n SER 49 N -4.67 -2.75 -2.32 1.44 2.88 -1.26 -5.01 113.62 101.92 1i4v n SER 49 Ca -0.00 -2.26 -0.03 0.00 -1.33 0.00 0.00 58.87 55.25 1i4v n SER 49 Cb 0.13 1.41 0.08 0.00 -0.75 0.00 0.00 64.21 65.08 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 2.76 3.06 -2.73 -1.46 0.00 -1.26 -5.08 120.51 115.79 1i4v n ALA 50 Ca 0.15 -1.06 -0.17 0.00 0.00 0.00 0.00 53.44 52.36 1i4v n ALA 50 Cb 0.59 -0.72 -0.12 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.12 0.92 0.15 0.00 2.01 -1.25 -2.28 115.64 115.07 1i4v s THR 51 Ca 0.09 -1.09 0.08 0.00 0.31 0.00 0.00 61.69 61.08 1i4v s THR 51 Cb 0.35 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 1i4v s THR 51 CO -0.10 -0.17 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.17 1i4v s TYR 52 N -1.10 1.76 0.14 4.92 1.51 0.25 -4.62 117.35 120.21 1i4v s TYR 52 Ca -0.03 -0.47 -0.05 0.00 -1.01 0.00 0.00 57.07 55.52 1i4v s TYR 52 Cb -0.09 -0.90 -0.02 0.00 -0.11 0.00 0.00 41.96 40.84 1i4v s TYR 52 CO 0.01 0.28 0.15 -0.59 -1.11 0.00 0.00 175.55 174.30 1i4v s PHE 53 N -1.88 0.60 -0.22 2.71 -0.12 -1.26 1.00 117.98 118.80 1i4v s PHE 53 Ca 0.13 -0.98 -0.16 0.00 -0.05 0.00 0.00 56.93 55.87 1i4v s PHE 53 Cb -0.06 -0.27 0.06 0.00 -0.63 0.00 0.00 43.02 42.12 1i4v s PHE 53 CO 0.06 -0.59 0.55 0.54 -0.05 0.00 0.00 175.22 175.73 1i4v s VAL 54 N -3.99 -0.01 0.21 -2.49 0.11 -1.04 -4.95 120.40 108.24 1i4v s VAL 54 Ca 0.19 0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 58.97 1i4v s VAL 54 Cb 0.06 -0.79 -0.08 0.00 -1.53 0.00 0.00 36.38 34.03 1i4v s VAL 54 CO -0.01 0.01 1.19 -0.75 -3.33 0.00 0.00 175.10 172.22 1i4v s LYS 55 N 0.97 4.50 -0.52 1.54 2.36 -1.26 -2.24 119.74 125.09 1i4v s LYS 55 Ca -0.05 1.89 -0.22 0.00 -2.55 0.00 0.00 55.97 55.04 1i4v s LYS 55 Cb -0.05 -3.22 0.05 0.00 -1.05 0.00 0.00 37.83 33.55 1i4v s LYS 55 CO -0.09 -0.05 0.80 0.00 1.55 0.00 0.00 175.35 177.57 1i4v s ALA 56 N -0.32 3.26 -0.39 3.13 0.00 -1.09 -4.90 121.76 121.46 1i4v s ALA 56 Ca 0.51 -1.41 0.10 0.00 0.00 0.00 0.00 51.96 51.17 1i4v s ALA 56 Cb -0.33 -3.56 0.44 0.00 0.00 0.00 0.00 23.12 19.67 1i4v s ALA 56 CO 0.39 -2.19 1.05 0.43 0.00 0.00 0.00 175.76 175.44 1i4v n SER 57 N 6.89 3.46 0.00 0.00 7.64 -1.26 -2.76 113.62 127.59 1i4v n SER 57 Ca -0.01 -3.32 0.00 0.00 1.01 0.00 0.00 58.87 56.54 1i4v n SER 57 Cb 0.47 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 1i4v n SER 57 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i4v n GLY 58 N -0.33 2.31 2.63 0.23 0.00 -1.26 -4.81 105.19 103.96 1i4v n GLY 58 Ca 0.28 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.44 -0.26 1.61 5.68 -1.26 -1.23 116.55 119.64 1i4v n ASP 59 Ca 0.00 -2.19 0.11 0.00 -0.50 0.00 0.00 54.79 52.21 1i4v n ASP 59 Cb 0.00 0.68 -0.02 0.00 -1.14 0.00 0.00 41.12 40.64 1i4v n ASP 59 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1i4v n SER 60 N -1.47 1.50 -2.62 -1.12 2.88 -1.26 -4.52 113.62 107.01 1i4v n SER 60 Ca -0.17 -1.22 -0.01 0.00 -1.33 0.00 0.00 58.87 56.13 1i4v n SER 60 Cb 0.87 0.66 0.09 0.00 -0.75 0.00 0.00 64.21 65.07 1i4v n SER 60 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1i4v n MET 61 N -0.71 1.40 0.28 -1.46 2.81 -1.26 -3.70 117.12 114.48 1i4v n MET 61 Ca 0.07 -2.10 0.18 0.00 -1.81 0.00 0.00 57.70 54.04 1i4v n MET 61 Cb 0.40 -0.36 0.90 0.00 -0.71 0.00 0.00 33.22 33.46 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 4.75 0.16 -1.02 2.02 2.04 -1.78 0.94 117.51 124.62 1i4v h ILE 62 Ca -0.33 0.00 0.27 0.00 1.00 0.00 0.00 64.86 65.80 1i4v h ILE 62 Cb 1.31 0.78 -0.07 0.00 -0.74 0.00 0.00 36.82 38.10 1i4v h ILE 62 CO -0.04 0.00 0.69 -2.24 0.00 0.00 0.00 178.15 176.55 1i4v h ASP 63 N 0.00 0.28 0.60 1.72 3.04 -1.73 0.78 116.42 121.12 1i4v h ASP 63 Ca 0.04 0.05 -0.28 0.00 -3.24 0.00 0.00 57.03 53.60 1i4v h ASP 63 Cb 0.52 -0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.80 1i4v h ASP 63 CO -0.00 0.07 -1.38 1.23 -2.04 0.00 0.00 179.24 177.12 1i4v h GLY 64 N 0.26 0.20 0.00 7.15 0.00 -1.05 -3.48 103.07 106.16 1i4v h GLY 64 Ca 0.54 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1i4v h GLY 64 CO -0.17 0.45 0.00 0.61 0.00 0.00 0.00 176.54 177.43 1i4v n GLY 65 N 1.56 0.70 3.55 4.60 0.00 0.27 -4.78 105.19 111.09 1i4v n GLY 65 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 3.44 -0.49 -0.61 -5.25 -1.25 -4.78 121.20 112.14 1i4v s ILE 66 Ca 0.00 0.17 0.08 0.00 -0.99 0.00 0.00 60.65 59.91 1i4v s ILE 66 Cb 0.00 -4.15 0.28 0.00 2.95 0.00 0.00 42.46 41.54 1i4v s ILE 66 CO 0.00 -1.11 0.69 -0.24 -1.79 0.00 0.00 174.94 172.49 1i4v n SER 67 N 12.14 2.07 -4.29 4.36 2.88 -1.26 -3.33 113.62 126.19 1i4v n SER 67 Ca 0.19 -3.13 -0.38 0.00 -1.33 0.00 0.00 58.87 54.22 1i4v n SER 67 Cb 0.51 -0.63 -0.06 0.00 -0.75 0.00 0.00 64.21 63.28 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 0.79 -2.26 0.00 -3.46 2.03 -0.37 -4.68 116.55 108.60 1i4v n ASP 68 Ca 0.26 -1.04 0.00 0.00 0.52 0.00 0.00 54.79 54.53 1i4v n ASP 68 Cb 0.49 -1.93 0.00 0.00 -0.72 0.00 0.00 41.12 38.97 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 -1.11 -1.81 3.78 0.27 0.00 -1.11 -4.90 105.19 100.31 1i4v n GLY 69 Ca 0.10 0.78 0.01 0.00 0.00 0.00 0.00 46.02 46.91 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 -0.03 -0.25 1.61 -4.77 -1.26 -4.60 116.67 107.36 1i4v s ASP 70 Ca 0.00 -0.22 0.00 0.00 -3.30 0.00 0.00 52.55 49.03 1i4v s ASP 70 Cb 0.00 0.20 0.07 0.00 -1.09 0.00 0.00 42.92 42.10 1i4v s ASP 70 CO 0.00 -0.38 0.00 -0.22 0.70 0.00 0.00 175.17 175.28 1i4v s LEU 71 N -3.33 2.44 0.36 2.11 1.98 -1.14 -2.66 118.68 118.44 1i4v s LEU 71 Ca 0.20 -1.29 -0.27 0.00 -2.89 0.00 0.00 54.13 49.88 1i4v s LEU 71 Cb 0.02 -1.04 -0.09 0.00 0.66 0.00 0.00 46.19 45.74 1i4v s LEU 71 CO -0.02 -0.30 1.16 -0.22 -1.89 0.00 0.00 176.35 175.08 1i4v s LEU 72 N 1.48 4.31 -0.31 -0.68 0.20 -0.95 -2.24 118.68 120.50 1i4v s LEU 72 Ca -0.00 2.34 -0.01 0.00 0.69 0.00 0.00 54.13 57.14 1i4v s LEU 72 Cb -0.18 -3.89 0.10 0.00 -0.43 0.00 0.00 46.19 41.79 1i4v s LEU 72 CO -0.11 -0.50 0.12 -0.63 -0.29 0.00 0.00 176.35 174.95 1i4v s ILE 73 N -1.34 0.61 0.20 6.68 -1.09 0.29 -2.51 121.20 124.04 1i4v s ILE 73 Ca 0.53 -1.31 0.05 0.00 -2.23 0.00 0.00 60.65 57.69 1i4v s ILE 73 Cb -0.31 -1.47 -0.03 0.00 -1.58 0.00 0.00 42.46 39.06 1i4v s ILE 73 CO 0.40 -0.72 0.24 0.54 -1.23 0.00 0.00 174.94 174.17 1i4v s VAL 74 N 1.65 4.85 -0.49 2.92 0.11 0.28 0.10 120.40 129.81 1i4v s VAL 74 Ca 0.10 -1.06 -0.05 0.00 -2.93 0.00 0.00 61.98 58.05 1i4v s VAL 74 Cb -0.18 -3.56 0.13 0.00 -1.53 0.00 0.00 36.38 31.25 1i4v s VAL 74 CO -0.26 -0.22 0.32 -1.81 -3.33 0.00 0.00 175.10 169.80 1i4v s ASP 75 N -3.54 5.42 -0.70 3.54 1.11 -1.14 0.86 116.67 122.22 1i4v s ASP 75 Ca 0.33 -2.23 -0.27 0.00 0.18 0.00 0.00 52.55 50.57 1i4v s ASP 75 Cb -0.09 -1.90 0.04 0.00 1.07 0.00 0.00 42.92 42.03 1i4v s ASP 75 CO 0.26 -0.54 1.22 -0.94 1.18 0.00 0.00 175.17 176.35 1i4v s SER 76 N 1.78 6.20 0.07 0.27 1.04 -0.96 -1.05 113.70 121.06 1i4v s SER 76 Ca 0.10 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1i4v s SER 76 Cb -0.23 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.36 1i4v s SER 76 CO -0.03 -1.73 0.00 0.00 0.98 0.00 0.00 173.24 172.46 1i4v n ALA 77 N 9.00 0.00 -2.23 5.32 0.00 -1.24 -3.93 120.51 127.43 1i4v n ALA 77 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.17 1i4v n ALA 77 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.73 4.82 -0.48 0.00 1.01 -1.26 -5.00 121.20 118.56 1i4v s ILE 78 Ca 0.00 0.52 -0.21 0.00 0.00 0.00 0.00 60.65 60.96 1i4v s ILE 78 Cb 0.00 -3.74 0.04 0.00 0.01 0.00 0.00 42.46 38.76 1i4v s ILE 78 CO 0.00 -0.52 0.70 -0.89 0.00 0.00 0.00 174.94 174.23 1i4v s THR 79 N -2.37 4.75 0.00 2.92 2.01 -1.26 -3.59 115.64 118.10 1i4v s THR 79 Ca 0.50 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.49 1i4v s THR 79 Cb -0.10 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 68.10 1i4v s THR 79 CO 0.32 -0.76 0.00 0.00 -0.69 0.00 0.00 174.62 173.49 1i4v n ALA 80 N 6.49 0.00 -3.11 7.40 0.00 -1.16 -4.99 120.51 125.14 1i4v n ALA 80 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 1i4v n ALA 80 Cb 0.47 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.94 0.02 0.48 0.00 0.01 -1.26 -5.08 113.70 105.93 1i4v s SER 81 Ca 0.00 -0.20 -0.23 0.00 1.31 0.00 0.00 55.95 56.83 1i4v s SER 81 Cb 0.00 0.21 -0.08 0.00 0.21 0.00 0.00 66.02 66.36 1i4v s SER 81 CO 0.00 -0.37 1.16 1.41 0.41 0.00 0.00 173.24 175.85 1i4v n HIS 82 N 1.45 1.67 -1.13 2.43 8.25 -1.26 -3.18 115.22 123.45 1i4v n HIS 82 Ca -0.23 0.49 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 1i4v n HIS 82 Cb 0.56 -2.29 0.00 0.00 1.12 0.00 0.00 29.99 29.37 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 0.98 1.09 3.06 -1.41 0.00 -1.17 -4.99 105.19 102.75 1i4v n GLY 83 Ca 0.09 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.55 0.10 -0.73 1.61 1.01 -1.19 -4.96 116.67 109.95 1i4v s ASP 84 Ca 0.00 -0.30 -0.21 0.00 0.71 0.00 0.00 52.55 52.75 1i4v s ASP 84 Cb 0.00 0.17 -0.16 0.00 1.01 0.00 0.00 42.92 43.94 1i4v s ASP 84 CO 0.00 -0.34 1.92 0.00 0.21 0.00 0.00 175.17 176.95 1i4v n ILE 85 N 1.51 1.76 -3.82 0.77 3.06 -1.26 -3.53 119.36 117.85 1i4v n ILE 85 Ca -0.23 -1.48 -0.21 0.00 -2.50 0.00 0.00 62.75 58.33 1i4v n ILE 85 Cb 0.55 -2.28 -0.03 0.00 0.54 0.00 0.00 39.64 38.42 1i4v n ILE 85 CO 0.00 0.00 0.00 0.68 -2.50 0.00 0.00 176.55 174.73 1i4v s VAL 86 N 4.97 4.06 -0.10 9.51 -7.23 -1.25 -4.36 120.40 126.00 1i4v s VAL 86 Ca 0.56 -1.24 -0.21 0.00 -1.81 0.00 0.00 61.98 59.28 1i4v s VAL 86 Cb 0.14 -3.37 -0.04 0.00 0.56 0.00 0.00 36.38 33.68 1i4v s VAL 86 CO 0.12 -0.23 0.58 -0.51 -0.31 0.00 0.00 175.10 174.75 1i4v s ILE 87 N -2.20 5.12 0.28 -0.62 1.10 -1.26 -3.25 121.20 120.37 1i4v s ILE 87 Ca 0.39 1.17 -0.10 0.00 -0.51 0.00 0.00 60.65 61.61 1i4v s ILE 87 Cb -0.07 -3.92 -0.07 0.00 0.15 0.00 0.00 42.46 38.55 1i4v s ILE 87 CO 0.28 0.29 0.61 0.00 -2.11 0.00 0.00 174.94 174.01 1i4v s ALA 88 N 0.74 3.50 -0.08 1.50 0.00 -0.97 -1.90 121.76 124.54 1i4v s ALA 88 Ca 0.31 -0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.02 1i4v s ALA 88 Cb -0.16 -2.51 0.03 0.00 0.00 0.00 0.00 23.12 20.47 1i4v s ALA 88 CO 0.14 0.37 -0.03 0.00 0.00 0.00 0.00 175.76 176.24 1i4v s ALA 89 N -1.96 0.92 -0.19 0.00 0.00 0.14 -2.68 121.76 117.99 1i4v s ALA 89 Ca 0.49 -0.27 -0.09 0.00 0.00 0.00 0.00 51.96 52.10 1i4v s ALA 89 Cb -0.11 -0.77 0.07 0.00 0.00 0.00 0.00 23.12 22.31 1i4v s ALA 89 CO 0.23 -0.40 0.43 0.54 0.00 0.00 0.00 175.76 176.56 1i4v s VAL 90 N 1.78 -0.31 -1.43 0.00 0.11 -1.24 -2.83 120.40 116.48 1i4v s VAL 90 Ca 0.03 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 1i4v s VAL 90 Cb -0.13 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.07 1i4v s VAL 90 CO -0.06 0.05 0.00 0.47 -3.33 0.00 0.00 175.10 172.23 1i4v n ASP 91 N 4.78 -4.05 -0.08 3.54 9.92 -1.26 -0.92 116.55 128.48 1i4v n ASP 91 Ca -0.16 0.28 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 1i4v n ASP 91 Cb 0.53 -3.60 0.00 0.00 -0.64 0.00 0.00 41.12 37.40 1i4v n ASP 91 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1i4v n GLY 92 N -0.49 1.17 3.86 0.44 0.00 -1.26 -5.09 105.19 103.81 1i4v n GLY 92 Ca -0.16 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.30 2.84 -0.44 1.61 0.41 -0.10 -5.09 118.70 115.63 1i4v s GLU 93 Ca 0.00 -1.18 0.05 0.00 -0.41 0.00 0.00 54.97 53.43 1i4v s GLU 93 Cb 0.00 -2.55 0.18 0.00 -1.78 0.00 0.00 34.13 29.98 1i4v s GLU 93 CO 0.00 0.19 0.46 -0.06 -0.49 0.00 0.00 175.26 175.36 1i4v s PHE 94 N -2.23 0.20 0.66 1.61 0.08 -1.23 -3.72 117.98 113.34 1i4v s PHE 94 Ca 0.39 -1.73 -0.04 0.00 0.12 0.00 0.00 56.93 55.67 1i4v s PHE 94 Cb -0.07 -0.52 0.06 0.00 -0.57 0.00 0.00 43.02 41.92 1i4v s PHE 94 CO 0.27 -0.97 0.94 0.95 -0.10 0.00 0.00 175.22 176.30 1i4v s THR 95 N 0.37 2.39 -0.24 0.64 -4.23 -1.09 -4.83 115.64 108.65 1i4v s THR 95 Ca 0.31 -0.42 -0.02 0.00 -1.18 0.00 0.00 61.69 60.38 1i4v s THR 95 Cb 0.02 -2.97 0.08 0.00 1.34 0.00 0.00 72.50 70.96 1i4v s THR 95 CO -0.14 0.00 0.06 -0.69 -0.54 0.00 0.00 174.62 173.31 1i4v s VAL 96 N -3.09 0.53 0.00 2.29 1.01 -1.26 -2.29 120.40 117.59 1i4v s VAL 96 Ca 0.60 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1i4v s VAL 96 Cb -0.10 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.09 1i4v s VAL 96 CO 0.43 -0.40 0.00 0.29 0.00 0.00 0.00 175.10 175.42 1i4v n LYS 97 N 5.02 0.00 -2.38 2.72 4.76 -1.20 -4.52 118.16 122.57 1i4v n LYS 97 Ca -0.07 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 54.98 1i4v n LYS 97 Cb 0.45 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.61 1i4v n LYS 97 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1i4v s LYS 98 N -2.00 3.07 0.14 1.97 1.02 -1.23 -3.82 119.74 118.89 1i4v s LYS 98 Ca 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 55.79 1i4v s LYS 98 Cb 0.00 -4.54 -0.04 0.00 -0.52 0.00 0.00 37.83 32.73 1i4v s LYS 98 CO 0.00 -2.42 0.31 -0.48 -0.92 0.00 0.00 175.35 171.83 1i4v s LEU 99 N 6.83 4.31 -0.13 3.17 2.34 -1.26 -4.60 118.68 129.34 1i4v s LEU 99 Ca 0.48 0.29 0.02 0.00 0.06 0.00 0.00 54.13 54.99 1i4v s LEU 99 Cb -0.07 -3.03 0.01 0.00 -0.56 0.00 0.00 46.19 42.54 1i4v s LEU 99 CO 0.10 0.05 -0.21 -1.10 -1.06 0.00 0.00 176.35 174.13 1i4v s GLN 100 N -3.06 2.85 0.00 1.48 1.11 -1.11 -3.06 119.66 117.87 1i4v s GLN 100 Ca 0.36 -0.79 0.00 0.00 0.01 0.00 0.00 55.36 54.94 1i4v s GLN 100 Cb -0.12 -2.30 0.00 0.00 -1.01 0.00 0.00 33.01 29.58 1i4v s GLN 100 CO 0.28 -0.01 0.00 1.28 0.01 0.00 0.00 175.29 176.86 1i4v n LEU 101 N 4.04 0.00 0.01 2.90 4.77 -1.22 -1.66 117.00 125.85 1i4v n LEU 101 Ca -0.20 -0.34 -0.05 0.00 -0.03 0.00 0.00 56.01 55.39 1i4v n LEU 101 Cb 0.52 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 1i4v n LEU 101 CO 0.26 0.00 0.17 0.03 -1.33 0.00 0.00 177.39 176.52 1i4v h ARG 102 N 0.00 -0.15 0.30 3.23 -0.00 -1.98 -3.37 114.38 112.42 1i4v h ARG 102 Ca 0.00 0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.48 1i4v h ARG 102 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.01 1i4v h ARG 102 CO 0.00 0.10 -0.15 -1.00 0.00 0.00 0.00 179.97 178.92 1i4v h PRO 103 N -1.01 -0.39 -3.31 0.04 0.13 -2.02 -3.46 132.00 121.98 1i4v h PRO 103 Ca -0.02 0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.07 1i4v h PRO 103 Cb 0.31 0.09 -0.15 0.00 0.13 0.00 0.00 31.00 31.38 1i4v h PRO 103 CO 0.03 -0.15 -0.16 0.99 -0.23 0.00 0.00 178.00 178.47 1i4v s THR 104 N -5.43 0.08 -0.49 1.56 2.01 -1.26 -5.11 115.64 107.00 1i4v s THR 104 Ca -0.15 -0.64 -0.29 0.00 0.31 0.00 0.00 61.69 60.92 1i4v s THR 104 Cb 0.03 -1.06 0.02 0.00 0.01 0.00 0.00 72.50 71.50 1i4v s THR 104 CO 0.61 -0.35 1.29 0.68 -0.69 0.00 0.00 174.62 176.15 1i4v s VAL 105 N -3.08 4.00 -0.10 3.82 -7.23 -1.26 -3.38 120.40 113.17 1i4v s VAL 105 Ca -0.01 0.97 -0.08 0.00 -1.81 0.00 0.00 61.98 61.05 1i4v s VAL 105 Cb 0.01 -4.47 0.03 0.00 0.56 0.00 0.00 36.38 32.51 1i4v s VAL 105 CO -0.07 -1.02 0.27 -1.10 -0.31 0.00 0.00 175.10 172.87 1i4v s GLN 106 N 4.89 0.29 0.10 4.82 -0.21 -0.66 -2.59 119.66 126.29 1i4v s GLN 106 Ca 0.52 0.43 0.03 0.00 0.02 0.00 0.00 55.36 56.37 1i4v s GLN 106 Cb -0.10 0.07 -0.04 0.00 1.00 0.00 0.00 33.01 33.94 1i4v s GLN 106 CO 0.30 -0.08 -0.09 -1.17 -2.12 0.00 0.00 175.29 172.13 1i4v s LEU 107 N 0.51 2.43 -0.39 2.90 2.96 -1.05 -2.74 118.68 123.31 1i4v s LEU 107 Ca -0.03 -0.85 0.11 0.00 -0.22 0.00 0.00 54.13 53.14 1i4v s LEU 107 Cb -0.05 -0.24 0.33 0.00 0.50 0.00 0.00 46.19 46.73 1i4v s LEU 107 CO -0.03 -0.31 0.74 0.00 -1.32 0.00 0.00 176.35 175.44 1i4v n ILE 108 N 0.44 -0.24 -1.94 6.68 0.13 -1.26 -2.68 119.36 120.50 1i4v n ILE 108 Ca -0.15 -4.08 -0.43 0.00 -1.10 0.00 0.00 62.75 56.99 1i4v n ILE 108 Cb 0.58 -0.31 -0.03 0.00 -0.84 0.00 0.00 39.64 39.04 1i4v n ILE 108 CO 0.00 0.00 0.00 -2.16 2.80 0.00 0.00 176.55 177.19 1i4v s PRO 109 N -1.85 3.82 -0.26 9.51 0.05 -1.26 -4.77 135.00 140.23 1i4v s PRO 109 Ca 0.37 1.98 -0.29 0.00 0.05 0.00 0.00 61.00 63.11 1i4v s PRO 109 Cb 0.31 -4.10 0.18 0.00 0.05 0.00 0.00 34.50 30.94 1i4v s PRO 109 CO -0.09 -1.28 1.29 0.00 0.05 0.00 0.00 177.00 176.97 1i4v s MET 110 N 4.79 0.17 0.00 4.56 0.23 -1.25 -4.69 119.30 123.11 1i4v s MET 110 Ca 0.79 0.04 0.00 0.00 -1.03 0.00 0.00 55.69 55.50 1i4v s MET 110 Cb -0.31 0.08 0.00 0.00 -1.53 0.00 0.00 34.83 33.07 1i4v s MET 110 CO 0.32 -0.05 0.00 -1.71 -2.03 0.00 0.00 175.02 171.55 1i4v n ASN 111 N 0.59 0.00 -0.01 -1.18 5.15 -1.24 -4.01 115.26 114.56 1i4v n ASN 111 Ca -0.02 0.19 -0.00 0.00 -0.60 0.00 0.00 54.58 54.15 1i4v n ASN 111 Cb 0.59 -0.25 -0.02 0.00 -0.53 0.00 0.00 39.78 39.57 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 -1.43 4.45 -4.11 1.20 3.41 -1.26 -4.19 113.62 111.68 1i4v n SER 112 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1i4v n SER 112 Cb 0.00 0.76 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 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 -1.90 4.76 -1.80 7.33 0.00 -1.26 -4.99 120.51 122.66 1i4v n ALA 113 Ca -0.02 -4.32 -0.42 0.00 0.00 0.00 0.00 53.44 48.67 1i4v n ALA 113 Cb 0.38 -2.96 -0.03 0.00 0.00 0.00 0.00 19.45 16.84 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 0.62 2.93 -0.35 0.00 -0.85 -1.26 -4.85 117.35 113.58 1i4v s TYR 114 Ca 0.40 0.53 0.00 0.00 -0.52 0.00 0.00 57.07 57.48 1i4v s TYR 114 Cb 0.04 -4.06 0.11 0.00 0.38 0.00 0.00 41.96 38.44 1i4v s TYR 114 CO 0.01 -3.88 0.15 -1.12 -1.52 0.00 0.00 175.55 169.19 1i4v s SER 115 N 1.01 3.82 0.06 -0.18 0.01 -1.26 -5.10 113.70 112.07 1i4v s SER 115 Ca 0.71 -1.99 -0.32 0.00 1.31 0.00 0.00 55.95 55.66 1i4v s SER 115 Cb -0.47 -0.88 -0.11 0.00 0.21 0.00 0.00 66.02 64.77 1i4v s SER 115 CO 0.35 -0.36 1.88 -2.65 0.41 0.00 0.00 173.24 172.87 1i4v n PRO 116 N 4.38 2.68 -4.04 12.44 -0.01 -1.26 -4.73 135.00 144.46 1i4v n PRO 116 Ca 0.02 0.98 -0.22 0.00 -0.01 0.00 0.00 63.50 64.27 1i4v n PRO 116 Cb 0.39 -2.88 -0.17 0.00 -0.01 0.00 0.00 33.50 30.83 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 3.40 0.62 0.15 4.25 2.07 -1.09 -5.04 121.20 125.56 1i4v s ILE 117 Ca 0.86 -0.11 -0.30 0.00 -1.41 0.00 0.00 60.65 59.69 1i4v s ILE 117 Cb -0.51 -0.68 -0.07 0.00 0.13 0.00 0.00 42.46 41.33 1i4v s ILE 117 CO 0.41 0.27 0.95 0.28 -1.91 0.00 0.00 174.94 174.94 1i4v s THR 118 N 1.35 4.37 0.73 4.00 -1.32 -1.26 -2.52 115.64 120.99 1i4v s THR 118 Ca -0.04 2.07 -0.08 0.00 -1.21 0.00 0.00 61.69 62.44 1i4v s THR 118 Cb -0.14 -4.32 0.07 0.00 -1.51 0.00 0.00 72.50 66.60 1i4v s THR 118 CO -0.03 0.37 1.05 -0.63 -2.21 0.00 0.00 174.62 173.17 1i4v s ILE 119 N -0.37 2.22 0.83 5.08 1.01 -1.07 -4.97 121.20 123.94 1i4v s ILE 119 Ca 0.45 -0.23 -0.12 0.00 0.00 0.00 0.00 60.65 60.75 1i4v s ILE 119 Cb -0.24 -3.00 0.19 0.00 0.01 0.00 0.00 42.46 39.42 1i4v s ILE 119 CO 0.30 0.00 0.42 -1.20 0.00 0.00 0.00 174.94 174.46 1i4v n SER 120 N -3.00 -2.89 -4.44 3.58 7.64 -1.26 -4.62 113.62 108.63 1i4v n SER 120 Ca 0.08 -0.43 -0.29 0.00 1.01 0.00 0.00 58.87 59.25 1i4v n SER 120 Cb 0.61 -0.60 -0.07 0.00 -1.01 0.00 0.00 64.21 63.14 1i4v n SER 120 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1i4v n SER 121 N -2.71 2.79 -3.62 6.43 3.41 -1.26 -4.07 113.62 114.59 1i4v n SER 121 Ca 0.07 -2.67 -0.26 0.00 -0.26 0.00 0.00 58.87 55.74 1i4v n SER 121 Cb 0.29 -1.64 0.04 0.00 -0.26 0.00 0.00 64.21 62.65 1i4v n SER 121 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1i4v n GLU 122 N 8.10 -2.17 0.00 4.33 1.02 -1.26 -4.96 120.64 125.70 1i4v n GLU 122 Ca 0.45 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 58.15 1i4v n GLU 122 Cb 0.46 -4.64 0.00 0.00 -0.02 0.00 0.00 31.44 27.24 1i4v n GLU 122 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1i4v n ASP 123 N -2.86 0.00 -3.17 1.62 9.92 -1.26 -4.90 116.55 115.90 1i4v n ASP 123 Ca -0.14 0.05 -0.18 0.00 -0.53 0.00 0.00 54.79 54.00 1i4v n ASP 123 Cb 0.62 -0.04 -0.06 0.00 -0.64 0.00 0.00 41.12 40.99 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 -0.11 -0.22 -0.27 -3.53 2.01 -1.26 -5.09 115.64 107.18 1i4v s THR 124 Ca 0.00 -1.84 -0.01 0.00 0.31 0.00 0.00 61.69 60.15 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 0.05 -0.22 -0.69 0.00 0.00 174.62 173.04 1i4v s LEU 125 N 0.53 2.08 0.02 4.42 1.98 -1.26 -4.09 118.68 122.36 1i4v s LEU 125 Ca 0.30 -1.35 -0.09 0.00 -2.89 0.00 0.00 54.13 50.10 1i4v s LEU 125 Cb -0.00 -0.87 0.01 0.00 0.66 0.00 0.00 46.19 45.99 1i4v s LEU 125 CO -0.12 -0.35 0.19 -0.62 -1.89 0.00 0.00 176.35 173.55 1i4v s ASP 126 N 1.62 -0.00 0.61 3.68 2.15 -1.13 -4.95 116.67 118.65 1i4v s ASP 126 Ca 0.04 -0.23 -0.17 0.00 0.43 0.00 0.00 52.55 52.63 1i4v s ASP 126 Cb -0.18 0.26 -0.03 0.00 -0.30 0.00 0.00 42.92 42.67 1i4v s ASP 126 CO -0.17 -0.46 1.11 -0.69 -0.17 0.00 0.00 175.17 174.79 1i4v s VAL 127 N -1.87 3.31 -0.26 1.11 1.01 -1.26 -0.68 120.40 121.76 1i4v s VAL 127 Ca -0.11 0.68 -0.05 0.00 0.00 0.00 0.00 61.98 62.50 1i4v s VAL 127 Cb -0.04 -3.21 -0.16 0.00 0.00 0.00 0.00 36.38 32.97 1i4v s VAL 127 CO -0.00 -0.30 -0.23 0.33 0.00 0.00 0.00 175.10 174.89 1i4v n PHE 128 N -1.94 0.11 -0.86 5.22 7.35 -0.80 -4.81 117.46 121.72 1i4v n PHE 128 Ca 0.11 0.03 0.00 0.00 -0.76 0.00 0.00 57.45 56.83 1i4v n PHE 128 Cb 0.52 -1.01 0.00 0.00 0.35 0.00 0.00 39.48 39.33 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 5.16 0.05 7.13 0.00 -1.26 -3.73 105.19 114.37 1i4v n GLY 129 Ca -0.48 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 43.88 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 -3.74 1.61 3.14 -0.21 -2.97 118.33 116.15 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 0.85 -0.01 0.00 -1.06 0.00 0.00 33.84 33.62 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 -0.44 1.55 0.11 -1.26 -4.83 120.40 115.53 1i4v s VAL 131 Ca 0.00 -0.57 0.05 0.00 -2.93 0.00 0.00 61.98 58.53 1i4v s VAL 131 Cb 0.00 -2.09 0.17 0.00 -1.53 0.00 0.00 36.38 32.93 1i4v s VAL 131 CO 0.00 0.00 0.53 -0.63 -3.33 0.00 0.00 175.10 171.67 1i4v s ILE 132 N -3.00 -0.49 -0.04 7.04 1.09 -1.25 -2.90 121.20 121.65 1i4v s ILE 132 Ca 0.14 -1.28 -0.30 0.00 -1.10 0.00 0.00 60.65 58.10 1i4v s ILE 132 Cb -0.00 -0.49 -0.04 0.00 -1.06 0.00 0.00 42.46 40.87 1i4v s ILE 132 CO 0.01 -0.47 1.22 -1.00 -0.10 0.00 0.00 174.94 174.61 1i4v s HIS 133 N 0.93 3.18 -0.22 3.97 3.76 0.28 -4.75 115.29 122.45 1i4v s HIS 133 Ca 0.26 1.18 -0.15 0.00 -0.15 0.00 0.00 55.06 56.20 1i4v s HIS 133 Cb -0.04 -3.45 -0.04 0.00 1.11 0.00 0.00 32.58 30.17 1i4v s HIS 133 CO -0.08 -1.43 0.37 0.08 -0.85 0.00 0.00 174.74 172.83 1i4v s VAL 134 N 2.10 5.21 -0.57 -0.90 1.01 -1.26 -0.55 120.40 125.45 1i4v s VAL 134 Ca 0.57 0.63 -0.16 0.00 0.00 0.00 0.00 61.98 63.02 1i4v s VAL 134 Cb -0.26 -3.70 0.14 0.00 0.00 0.00 0.00 36.38 32.56 1i4v s VAL 134 CO 0.23 0.24 0.53 -0.69 0.00 0.00 0.00 175.10 175.41 1i4v s VAL 135 N 1.43 5.24 -0.54 2.92 1.01 -0.95 -4.98 120.40 124.53 1i4v s VAL 135 Ca 0.17 -1.58 -0.27 0.00 0.00 0.00 0.00 61.98 60.29 1i4v s VAL 135 Cb -0.15 -4.35 0.03 0.00 0.00 0.00 0.00 36.38 31.91 1i4v s VAL 135 CO 0.08 -0.89 1.10 -0.75 0.00 0.00 0.00 175.10 174.64 1i4v s LYS 136 N 1.48 3.52 -0.28 2.72 2.20 -1.26 -2.89 119.74 125.23 1i4v s LYS 136 Ca 0.05 0.20 -0.28 0.00 -0.36 0.00 0.00 55.97 55.57 1i4v s LYS 136 Cb -0.28 -3.99 -0.04 0.00 -1.51 0.00 0.00 37.83 32.01 1i4v s LYS 136 CO 0.02 -1.54 2.04 0.00 -0.36 0.00 0.00 175.35 175.52 1i4v s ALA 137 N 4.53 2.73 -0.34 3.13 0.00 -1.26 -4.94 121.76 125.62 1i4v s ALA 137 Ca 0.41 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1i4v s ALA 137 Cb -0.09 -4.06 0.08 0.00 0.00 0.00 0.00 23.12 19.05 1i4v s ALA 137 CO 0.26 -2.81 0.06 1.41 0.00 0.00 0.00 175.76 174.67 1i4v s MET 138 N 6.15 2.02 0.00 0.00 1.75 -1.26 -5.09 119.30 122.87 1i4v s MET 138 Ca 0.91 -1.61 0.02 0.00 -1.25 0.00 0.00 55.69 53.76 1i4v s MET 138 Cb -0.28 -3.27 0.02 0.00 2.84 0.00 0.00 34.83 34.14 1i4v s MET 138 CO 0.34 -0.83 0.56 2.89 -0.65 0.00 0.00 175.02 177.33