#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 3.19 0.47 0.00 0.40 -1.26 -4.99 117.98 115.78 1i4v s PHE 26 Ca 0.00 1.23 -0.25 0.00 -0.60 0.00 0.00 56.93 57.31 1i4v s PHE 26 Cb 0.00 -2.96 -0.08 0.00 0.51 0.00 0.00 43.02 40.49 1i4v s PHE 26 CO 0.00 -1.27 1.40 -2.14 0.70 0.00 0.00 175.22 173.92 1i4v s PRO 27 N -5.18 3.60 0.29 0.24 0.01 -1.26 -4.73 135.00 127.97 1i4v s PRO 27 Ca 0.58 2.36 0.00 0.00 0.01 0.00 0.00 61.00 63.95 1i4v s PRO 27 Cb -0.13 -2.58 0.00 0.00 0.01 0.00 0.00 34.50 31.80 1i4v s PRO 27 CO 0.54 -0.87 0.00 0.45 0.01 0.00 0.00 177.00 177.13 1i4v n SER 28 N -0.34 -6.36 -0.30 2.53 2.88 -1.26 -4.09 113.62 106.67 1i4v n SER 28 Ca 0.06 0.55 -0.05 0.00 -1.33 0.00 0.00 58.87 58.10 1i4v n SER 28 Cb 0.43 -3.55 0.07 0.00 -0.75 0.00 0.00 64.21 60.41 1i4v n SER 28 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1i4v h PRO 29 N -1.10 1.15 0.00 -1.46 0.11 -2.03 -3.46 132.00 125.21 1i4v h PRO 29 Ca -0.01 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1i4v h PRO 29 Cb 1.26 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1i4v h PRO 29 CO 0.02 0.85 0.00 0.00 -0.21 0.00 0.00 178.00 178.66 1i4v n ALA 30 N -2.38 0.00 -2.75 -0.75 0.00 -1.26 -4.98 120.51 108.39 1i4v n ALA 30 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.22 1i4v n ALA 30 Cb 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.00 3.50 -0.29 0.00 0.00 -1.26 -5.00 121.76 116.71 1i4v s ALA 31 Ca 0.00 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.95 1i4v s ALA 31 Cb 0.00 -1.39 0.18 0.00 0.00 0.00 0.00 23.12 21.91 1i4v s ALA 31 CO 0.00 0.73 0.55 0.16 0.00 0.00 0.00 175.76 177.21 1i4v s ASP 32 N -2.30 -1.11 -1.36 0.00 -4.77 -1.26 -4.92 116.67 100.94 1i4v s ASP 32 Ca 0.28 0.46 -0.07 0.00 -3.30 0.00 0.00 52.55 49.91 1i4v s ASP 32 Cb -0.12 1.90 0.05 0.00 -1.09 0.00 0.00 42.92 43.66 1i4v s ASP 32 CO 0.20 -0.29 0.51 -1.22 0.70 0.00 0.00 175.17 175.08 1i4v n TYR 33 N 5.41 -1.84 -3.43 2.11 4.01 -1.26 -4.91 117.16 117.25 1i4v n TYR 33 Ca 0.01 0.47 0.01 0.00 -0.16 0.00 0.00 57.90 58.23 1i4v n TYR 33 Cb 0.52 -3.46 -0.05 0.00 -0.31 0.00 0.00 39.34 36.04 1i4v n TYR 33 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1i4v s VAL 34 N -3.00 -0.20 -0.02 -0.72 0.11 -1.26 -5.05 120.40 110.27 1i4v s VAL 34 Ca 0.35 0.00 0.10 0.00 -2.93 0.00 0.00 61.98 59.50 1i4v s VAL 34 Cb -0.18 -1.00 0.17 0.00 -1.53 0.00 0.00 36.38 33.84 1i4v s VAL 34 CO 0.43 0.00 1.07 1.21 -3.33 0.00 0.00 175.10 174.49 1i4v n GLU 35 N 4.29 0.17 -3.97 1.54 0.00 -1.26 -4.86 120.64 116.56 1i4v n GLU 35 Ca -0.12 -1.52 -0.09 0.00 0.00 0.00 0.00 57.16 55.43 1i4v n GLU 35 Cb 0.55 -0.48 -0.05 0.00 0.00 0.00 0.00 31.44 31.46 1i4v n GLU 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.13 175.99 1i4v s GLN 36 N -0.38 1.54 -0.19 5.31 0.74 -1.26 -5.15 119.66 120.28 1i4v s GLN 36 Ca 0.14 -1.20 0.01 0.00 0.05 0.00 0.00 55.36 54.36 1i4v s GLN 36 Cb 0.15 0.48 0.04 0.00 1.10 0.00 0.00 33.01 34.79 1i4v s GLN 36 CO -0.05 -0.65 -0.11 0.50 -0.55 0.00 0.00 175.29 174.44 1i4v s ARG 37 N -4.00 2.05 -0.29 1.67 3.52 -1.26 -4.98 118.95 115.66 1i4v s ARG 37 Ca 0.20 -0.81 0.20 0.00 -0.13 0.00 0.00 55.73 55.20 1i4v s ARG 37 Cb -0.01 -2.38 0.48 0.00 -1.56 0.00 0.00 34.95 31.49 1i4v s ARG 37 CO 0.08 -0.41 1.10 1.51 -0.81 0.00 0.00 175.30 176.77 1i4v n ILE 38 N 4.70 1.06 -2.62 4.11 3.06 -1.26 -4.99 119.36 123.42 1i4v n ILE 38 Ca -0.15 -2.78 -0.43 0.00 -2.50 0.00 0.00 62.75 56.89 1i4v n ILE 38 Cb 0.47 1.09 0.00 0.00 0.54 0.00 0.00 39.64 41.74 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 -0.50 5.35 0.00 9.51 -0.08 -1.26 -4.88 116.55 124.68 1i4v n ASP 39 Ca 0.06 -3.13 0.00 0.00 -1.51 0.00 0.00 54.79 50.21 1i4v n ASP 39 Cb 0.81 -1.46 0.00 0.00 2.34 0.00 0.00 41.12 42.81 1i4v n ASP 39 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1i4v n LEU 40 N 3.78 0.00 -0.35 -2.67 7.99 -1.26 -0.29 117.00 124.19 1i4v n LEU 40 Ca 0.36 0.78 0.35 0.00 -0.01 0.00 0.00 56.01 57.50 1i4v n LEU 40 Cb 0.37 -0.28 0.72 0.00 -0.11 0.00 0.00 43.42 44.12 1i4v n LEU 40 CO 0.75 -0.28 1.32 -0.55 -1.51 0.00 0.00 177.39 177.11 1i4v h ASN 41 N 0.00 0.07 0.69 -1.43 -1.07 -1.96 1.38 115.58 113.26 1i4v h ASN 41 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 56.30 56.39 1i4v h ASN 41 Cb 0.00 0.01 0.00 0.00 -2.07 0.00 0.00 38.32 36.26 1i4v h ASN 41 CO 0.00 0.00 -0.17 1.67 0.07 0.00 0.00 177.43 179.00 1i4v n GLN 42 N -4.24 0.17 -0.02 4.14 -0.06 -0.38 -2.41 117.38 114.59 1i4v n GLN 42 Ca 0.27 -0.05 -0.00 0.00 -2.00 0.00 0.00 57.00 55.22 1i4v n GLN 42 Cb 1.26 -1.50 -0.04 0.00 -4.06 0.00 0.00 30.24 25.90 1i4v n GLN 42 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 1i4v n LEU 43 N -1.37 0.00 -0.00 1.69 -0.00 0.42 -4.65 117.00 113.09 1i4v n LEU 43 Ca 0.08 0.00 0.10 0.00 -0.00 0.00 0.00 56.01 56.19 1i4v n LEU 43 Cb 0.32 0.08 -0.13 0.00 -0.00 0.00 0.00 43.42 43.70 1i4v n LEU 43 CO 0.29 0.08 -0.22 0.18 -0.00 0.00 0.00 177.39 177.72 1i4v n LEU 44 N -2.01 0.72 0.00 1.47 4.32 0.16 -5.00 117.00 116.66 1i4v n LEU 44 Ca -0.06 -0.38 0.00 0.00 -0.02 0.00 0.00 56.01 55.55 1i4v n LEU 44 Cb 0.47 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.27 1i4v n LEU 44 CO 0.12 0.18 0.00 -0.38 -1.22 0.00 0.00 177.39 176.09 1i4v n ILE 45 N -1.66 0.00 0.09 -0.08 5.41 -1.01 -5.03 119.36 117.08 1i4v n ILE 45 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.77 1i4v n ILE 45 Cb 0.37 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.30 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 -1.61 0.38 6.02 -1.22 -4.81 117.38 116.14 1i4v n GLN 46 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.61 1i4v n GLN 46 Cb 0.00 0.00 0.05 0.00 1.02 0.00 0.00 30.24 31.31 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 -3.09 0.75 0.40 1.08 8.25 -1.26 -4.92 115.22 116.43 1i4v n HIS 47 Ca 0.00 0.44 -0.17 0.00 -0.26 0.00 0.00 57.72 57.73 1i4v n HIS 47 Cb 0.00 -2.13 -0.08 0.00 1.12 0.00 0.00 29.99 28.89 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 0.53 -1.00 -0.91 -0.41 0.14 -2.00 -3.40 132.00 124.95 1i4v h PRO 48 Ca -0.48 0.07 -0.35 0.00 0.14 0.00 0.00 66.00 65.38 1i4v h PRO 48 Cb 1.36 0.23 -0.35 0.00 0.14 0.00 0.00 31.00 32.38 1i4v h PRO 48 CO 0.51 -0.65 -1.03 0.45 0.14 0.00 0.00 178.00 177.42 1i4v n SER 49 N -5.49 0.69 -2.10 1.44 2.88 -1.26 -4.91 113.62 104.88 1i4v n SER 49 Ca -0.14 -2.73 -0.04 0.00 -1.33 0.00 0.00 58.87 54.64 1i4v n SER 49 Cb 0.42 -0.21 0.05 0.00 -0.75 0.00 0.00 64.21 63.73 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 -0.11 3.20 -3.86 -1.46 0.00 -1.26 -5.04 120.51 111.99 1i4v n ALA 50 Ca 0.09 -2.95 -0.26 0.00 0.00 0.00 0.00 53.44 50.31 1i4v n ALA 50 Cb 0.80 -0.66 -0.17 0.00 0.00 0.00 0.00 19.45 19.42 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 -3.06 0.86 0.15 0.00 2.01 -1.26 -2.01 115.64 112.33 1i4v s THR 51 Ca 0.35 -0.31 -0.05 0.00 0.31 0.00 0.00 61.69 61.99 1i4v s THR 51 Cb 0.36 -0.99 -0.06 0.00 0.01 0.00 0.00 72.50 71.82 1i4v s THR 51 CO -0.06 0.23 0.39 -0.31 -0.69 0.00 0.00 174.62 174.19 1i4v s TYR 52 N 1.76 3.47 0.09 4.92 1.51 0.11 -4.83 117.35 124.39 1i4v s TYR 52 Ca 0.03 0.58 -0.04 0.00 -1.01 0.00 0.00 57.07 56.64 1i4v s TYR 52 Cb -0.14 -2.02 -0.03 0.00 -0.11 0.00 0.00 41.96 39.66 1i4v s TYR 52 CO -0.07 0.42 0.08 -0.59 -1.11 0.00 0.00 175.55 174.28 1i4v s PHE 53 N -1.67 0.51 -0.22 2.71 -0.12 -1.26 0.17 117.98 118.09 1i4v s PHE 53 Ca 0.42 -0.96 -0.13 0.00 -0.05 0.00 0.00 56.93 56.20 1i4v s PHE 53 Cb -0.12 -0.29 0.07 0.00 -0.63 0.00 0.00 43.02 42.04 1i4v s PHE 53 CO 0.24 -0.50 0.54 0.54 -0.05 0.00 0.00 175.22 176.00 1i4v s VAL 54 N -3.95 -0.01 0.01 -2.49 0.11 -0.77 -4.92 120.40 108.38 1i4v s VAL 54 Ca 0.12 0.04 -0.30 0.00 -2.93 0.00 0.00 61.98 58.91 1i4v s VAL 54 Cb 0.07 -0.79 -0.05 0.00 -1.53 0.00 0.00 36.38 34.08 1i4v s VAL 54 CO -0.06 0.02 1.31 -0.75 -3.33 0.00 0.00 175.10 172.29 1i4v s LYS 55 N 1.35 4.33 -0.69 1.54 2.36 -1.26 -1.93 119.74 125.43 1i4v s LYS 55 Ca -0.08 1.86 -0.27 0.00 -2.55 0.00 0.00 55.97 54.93 1i4v s LYS 55 Cb -0.06 -3.50 0.02 0.00 -1.05 0.00 0.00 37.83 33.23 1i4v s LYS 55 CO -0.14 -0.48 1.42 0.00 1.55 0.00 0.00 175.35 177.70 1i4v s ALA 56 N 2.02 2.63 -0.32 3.13 0.00 -0.72 -4.81 121.76 123.69 1i4v s ALA 56 Ca 0.61 -1.14 0.15 0.00 0.00 0.00 0.00 51.96 51.57 1i4v s ALA 56 Cb -0.30 -4.25 0.47 0.00 0.00 0.00 0.00 23.12 19.04 1i4v s ALA 56 CO 0.26 -3.38 1.08 0.43 0.00 0.00 0.00 175.76 174.15 1i4v n SER 57 N 10.11 2.83 -0.38 0.00 7.64 -1.26 -2.56 113.62 130.00 1i4v n SER 57 Ca 0.08 -2.92 0.00 0.00 1.01 0.00 0.00 58.87 57.03 1i4v n SER 57 Cb 0.50 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 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 -0.43 1.40 0.80 0.23 0.00 -1.26 -4.80 105.19 101.13 1i4v n GLY 58 Ca 0.21 -0.74 0.04 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.15 0.89 -0.40 1.61 5.75 -1.26 -2.92 116.55 120.06 1i4v n ASP 59 Ca 0.00 -2.39 0.12 0.00 -0.01 0.00 0.00 54.79 52.51 1i4v n ASP 59 Cb 0.00 -0.31 0.24 0.00 -1.03 0.00 0.00 41.12 40.03 1i4v n ASP 59 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1i4v n SER 60 N -0.17 1.54 -2.34 -1.12 2.88 -1.26 -4.29 113.62 108.86 1i4v n SER 60 Ca 0.07 -1.23 0.00 0.00 -1.33 0.00 0.00 58.87 56.38 1i4v n SER 60 Cb 0.85 0.23 0.04 0.00 -0.75 0.00 0.00 64.21 64.58 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 -0.23 1.11 0.23 -1.46 2.81 -1.26 -4.50 117.12 113.81 1i4v n MET 61 Ca 0.12 -2.67 0.10 0.00 -1.81 0.00 0.00 57.70 53.44 1i4v n MET 61 Cb 0.41 -0.80 0.49 0.00 -0.71 0.00 0.00 33.22 32.61 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 5.76 0.57 -0.28 2.02 2.04 -1.75 -2.29 117.51 123.58 1i4v h ILE 62 Ca -0.23 -1.06 0.08 0.00 1.00 0.00 0.00 64.86 64.65 1i4v h ILE 62 Cb 1.46 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 39.24 1i4v h ILE 62 CO 0.09 0.21 0.36 -2.24 0.00 0.00 0.00 178.15 176.57 1i4v h ASP 63 N 0.00 0.00 0.00 1.72 3.04 -1.88 -2.51 116.42 116.79 1i4v h ASP 63 Ca -0.00 0.00 -0.13 0.00 -3.24 0.00 0.00 57.03 53.66 1i4v h ASP 63 Cb 0.70 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.97 1i4v h ASP 63 CO 0.03 0.00 -1.02 0.61 -2.04 0.00 0.00 179.24 176.82 1i4v n GLY 64 N -1.42 -0.83 0.00 7.15 0.00 -0.87 -4.65 105.19 104.58 1i4v n GLY 64 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 1.50 0.00 2.82 -0.02 0.00 -0.94 -4.96 105.19 103.59 1i4v n GLY 65 Ca -0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 1.35 -0.62 -0.61 -5.25 -1.22 -4.79 121.20 110.06 1i4v s ILE 66 Ca 0.00 -1.80 0.06 0.00 -0.99 0.00 0.00 60.65 57.92 1i4v s ILE 66 Cb 0.00 -2.01 0.28 0.00 2.95 0.00 0.00 42.46 43.68 1i4v s ILE 66 CO 0.00 -0.67 0.81 -0.24 -1.79 0.00 0.00 174.94 173.04 1i4v n SER 67 N 4.54 3.97 -3.87 4.36 2.88 -1.26 -3.91 113.62 120.33 1i4v n SER 67 Ca 0.01 -3.52 -0.30 0.00 -1.33 0.00 0.00 58.87 53.73 1i4v n SER 67 Cb 0.41 -0.64 0.01 0.00 -0.75 0.00 0.00 64.21 63.25 1i4v n SER 67 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1i4v n ASP 68 N 0.52 -2.93 0.00 -3.46 5.75 -1.15 -4.68 116.55 110.60 1i4v n ASP 68 Ca 0.30 -0.87 0.00 0.00 -0.01 0.00 0.00 54.79 54.21 1i4v n ASP 68 Cb 0.41 -1.10 0.00 0.00 -1.03 0.00 0.00 41.12 39.40 1i4v n ASP 68 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i4v n GLY 69 N -1.66 0.00 3.61 6.12 0.00 -1.06 -4.94 105.19 107.26 1i4v n GLY 69 Ca -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.10 -0.15 1.61 1.47 -1.26 -4.29 116.67 113.95 1i4v s ASP 70 Ca 0.00 -0.08 -0.01 0.00 1.18 0.00 0.00 52.55 53.64 1i4v s ASP 70 Cb 0.00 0.17 -0.01 0.00 -0.34 0.00 0.00 42.92 42.74 1i4v s ASP 70 CO 0.00 -0.30 -0.11 -0.22 0.68 0.00 0.00 175.17 175.22 1i4v s LEU 71 N -2.60 2.80 0.07 2.11 1.98 -0.69 -1.75 118.68 120.59 1i4v s LEU 71 Ca 0.12 -0.32 -0.00 0.00 -2.89 0.00 0.00 54.13 51.04 1i4v s LEU 71 Cb 0.02 -1.65 -0.04 0.00 0.66 0.00 0.00 46.19 45.18 1i4v s LEU 71 CO -0.04 0.13 0.22 -0.22 -1.89 0.00 0.00 176.35 174.56 1i4v s LEU 72 N 0.54 4.35 -0.30 -0.68 0.20 -0.81 0.50 118.68 122.48 1i4v s LEU 72 Ca -0.07 0.28 -0.03 0.00 0.69 0.00 0.00 54.13 54.99 1i4v s LEU 72 Cb -0.15 -2.97 0.11 0.00 -0.43 0.00 0.00 46.19 42.74 1i4v s LEU 72 CO 0.04 0.16 0.15 -0.63 -0.29 0.00 0.00 176.35 175.77 1i4v s ILE 73 N -1.54 -0.06 0.35 6.68 1.01 -0.40 -1.85 121.20 125.40 1i4v s ILE 73 Ca 0.35 -0.87 -0.12 0.00 0.00 0.00 0.00 60.65 60.01 1i4v s ILE 73 Cb -0.13 -1.00 -0.08 0.00 0.01 0.00 0.00 42.46 41.27 1i4v s ILE 73 CO 0.28 -0.75 0.72 0.54 0.00 0.00 0.00 174.94 175.73 1i4v s VAL 74 N 1.97 4.77 -0.50 2.92 0.11 0.44 -0.43 120.40 129.68 1i4v s VAL 74 Ca 0.10 0.72 -0.07 0.00 -2.93 0.00 0.00 61.98 59.79 1i4v s VAL 74 Cb -0.17 -3.67 0.13 0.00 -1.53 0.00 0.00 36.38 31.14 1i4v s VAL 74 CO -0.32 -0.32 0.35 -1.81 -3.33 0.00 0.00 175.10 169.67 1i4v s ASP 75 N -2.70 5.62 -0.66 3.54 1.11 0.21 0.08 116.67 123.87 1i4v s ASP 75 Ca 0.52 -2.10 -0.24 0.00 0.18 0.00 0.00 52.55 50.91 1i4v s ASP 75 Cb -0.10 -1.97 0.05 0.00 1.07 0.00 0.00 42.92 41.97 1i4v s ASP 75 CO 0.24 -0.62 1.05 -0.94 1.18 0.00 0.00 175.17 176.09 1i4v s SER 76 N 2.23 6.21 0.06 0.27 1.04 -0.85 -0.89 113.70 121.78 1i4v s SER 76 Ca 0.08 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.84 1i4v s SER 76 Cb -0.24 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1i4v s SER 76 CO -0.02 -1.51 0.00 0.00 0.98 0.00 0.00 173.24 172.69 1i4v n ALA 77 N 8.14 0.00 -1.96 5.32 0.00 -1.21 -4.27 120.51 126.53 1i4v n ALA 77 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1i4v n ALA 77 Cb 0.47 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.98 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 2.55 -0.21 0.00 1.01 -1.26 -4.96 121.20 116.34 1i4v s ILE 78 Ca 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 1i4v s ILE 78 Cb 0.00 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.39 1i4v s ILE 78 CO 0.00 -0.08 -0.10 -0.89 0.00 0.00 0.00 174.94 173.87 1i4v s THR 79 N -3.16 2.90 0.00 2.92 2.01 -1.26 -3.89 115.64 115.16 1i4v s THR 79 Ca 0.59 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.92 1i4v s THR 79 Cb -0.11 -2.30 0.00 0.00 0.01 0.00 0.00 72.50 70.11 1i4v s THR 79 CO 0.44 0.46 0.00 0.00 -0.69 0.00 0.00 174.62 174.83 1i4v n ALA 80 N 4.73 0.00 -2.65 7.40 0.00 -1.23 -5.01 120.51 123.76 1i4v n ALA 80 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.12 1i4v n ALA 80 Cb 0.50 0.00 -0.07 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 0.49 0.42 0.00 0.01 -1.26 -4.95 113.70 107.41 1i4v s SER 81 Ca 0.00 -1.34 -0.24 0.00 1.31 0.00 0.00 55.95 55.68 1i4v s SER 81 Cb 0.00 0.53 -0.11 0.00 0.21 0.00 0.00 66.02 66.65 1i4v s SER 81 CO 0.00 -1.07 0.88 1.41 0.41 0.00 0.00 173.24 174.87 1i4v n HIS 82 N -0.42 0.71 -2.26 2.43 8.25 -1.26 -2.44 115.22 120.22 1i4v n HIS 82 Ca 0.02 0.57 -0.06 0.00 -0.26 0.00 0.00 57.72 57.99 1i4v n HIS 82 Cb 0.63 -2.16 0.00 0.00 1.12 0.00 0.00 29.99 29.59 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 1.36 0.23 2.95 -1.41 0.00 -1.22 -4.96 105.19 102.13 1i4v n GLY 83 Ca 0.10 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.82 2.25 -0.69 1.61 1.11 -1.02 -4.93 116.67 112.18 1i4v s ASP 84 Ca 0.04 -0.35 -0.26 0.00 0.18 0.00 0.00 52.55 52.16 1i4v s ASP 84 Cb -0.02 -0.92 -0.13 0.00 1.07 0.00 0.00 42.92 42.92 1i4v s ASP 84 CO 0.04 -0.08 2.46 0.00 1.18 0.00 0.00 175.17 178.77 1i4v n ILE 85 N 4.72 -0.05 -3.92 0.77 3.06 -1.26 -3.52 119.36 119.17 1i4v n ILE 85 Ca -0.15 -0.57 -0.09 0.00 -2.50 0.00 0.00 62.75 59.44 1i4v n ILE 85 Cb 0.50 -2.00 -0.06 0.00 0.54 0.00 0.00 39.64 38.62 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 11.28 0.04 -0.35 9.51 -7.23 -1.11 -4.27 120.40 128.27 1i4v s VAL 86 Ca 1.07 -1.26 -0.21 0.00 -1.81 0.00 0.00 61.98 59.77 1i4v s VAL 86 Cb -0.43 -1.86 0.00 0.00 0.56 0.00 0.00 36.38 34.66 1i4v s VAL 86 CO 0.29 -0.20 0.69 -0.51 -0.31 0.00 0.00 175.10 175.06 1i4v s ILE 87 N -3.96 4.84 0.38 -0.62 1.10 -1.26 -3.42 121.20 118.27 1i4v s ILE 87 Ca 0.17 0.76 -0.06 0.00 -0.51 0.00 0.00 60.65 61.00 1i4v s ILE 87 Cb 0.02 -4.11 -0.05 0.00 0.15 0.00 0.00 42.46 38.47 1i4v s ILE 87 CO 0.01 -0.32 0.68 0.00 -2.11 0.00 0.00 174.94 173.21 1i4v s ALA 88 N 2.82 3.48 0.03 1.50 0.00 0.96 -0.35 121.76 130.20 1i4v s ALA 88 Ca 0.27 -0.45 -0.19 0.00 0.00 0.00 0.00 51.96 51.59 1i4v s ALA 88 Cb -0.14 -2.49 0.04 0.00 0.00 0.00 0.00 23.12 20.52 1i4v s ALA 88 CO 0.15 -0.01 0.43 0.00 0.00 0.00 0.00 175.76 176.33 1i4v s ALA 89 N -2.36 -1.06 -0.22 0.00 0.00 0.16 -0.74 121.76 117.53 1i4v s ALA 89 Ca 0.47 0.41 -0.07 0.00 0.00 0.00 0.00 51.96 52.77 1i4v s ALA 89 Cb -0.10 0.29 0.10 0.00 0.00 0.00 0.00 23.12 23.41 1i4v s ALA 89 CO 0.34 -0.43 0.47 0.54 0.00 0.00 0.00 175.76 176.68 1i4v s VAL 90 N -2.23 -0.73 -1.60 0.00 0.11 -1.23 -3.04 120.40 111.68 1i4v s VAL 90 Ca -0.07 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 1i4v s VAL 90 Cb -0.01 -0.74 0.00 0.00 -1.53 0.00 0.00 36.38 34.10 1i4v s VAL 90 CO -0.01 0.05 0.00 0.47 -3.33 0.00 0.00 175.10 172.29 1i4v n ASP 91 N 5.40 -4.15 0.00 3.54 9.92 -1.26 -2.03 116.55 127.98 1i4v n ASP 91 Ca -0.09 0.37 0.00 0.00 -0.53 0.00 0.00 54.79 54.54 1i4v n ASP 91 Cb 0.49 -3.73 0.00 0.00 -0.64 0.00 0.00 41.12 37.24 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 -0.25 1.68 3.66 0.44 0.00 -1.26 -5.13 105.19 104.33 1i4v n GLY 92 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.43 2.17 0.04 1.61 2.02 -0.86 -5.13 118.70 118.11 1i4v s GLU 93 Ca 0.00 -1.67 0.03 0.00 0.02 0.00 0.00 54.97 53.36 1i4v s GLU 93 Cb 0.00 -2.01 -0.02 0.00 0.10 0.00 0.00 34.13 32.20 1i4v s GLU 93 CO 0.00 0.15 -0.10 -0.06 0.02 0.00 0.00 175.26 175.27 1i4v s PHE 94 N -2.48 0.84 -0.27 1.61 0.08 -1.25 -3.50 117.98 113.02 1i4v s PHE 94 Ca 0.35 -0.38 -0.06 0.00 0.12 0.00 0.00 56.93 56.96 1i4v s PHE 94 Cb -0.01 -0.50 0.13 0.00 -0.57 0.00 0.00 43.02 42.07 1i4v s PHE 94 CO 0.20 -0.02 0.55 0.95 -0.10 0.00 0.00 175.22 176.80 1i4v s THR 95 N -0.99 -0.86 1.00 0.64 -4.23 0.08 -4.90 115.64 106.39 1i4v s THR 95 Ca -0.04 0.04 -0.15 0.00 -1.18 0.00 0.00 61.69 60.36 1i4v s THR 95 Cb -0.08 -0.89 0.20 0.00 1.34 0.00 0.00 72.50 73.07 1i4v s THR 95 CO 0.01 0.01 1.20 -0.69 -0.54 0.00 0.00 174.62 174.60 1i4v s VAL 96 N 2.77 1.89 0.17 2.29 1.01 -1.26 -0.03 120.40 127.25 1i4v s VAL 96 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1i4v s VAL 96 Cb -0.13 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.47 1i4v s VAL 96 CO -0.17 0.00 0.00 0.29 0.00 0.00 0.00 175.10 175.22 1i4v n LYS 97 N -4.00 -1.30 -2.58 2.72 4.76 -1.22 -3.34 118.16 113.20 1i4v n LYS 97 Ca 0.11 0.89 -0.39 0.00 -2.87 0.00 0.00 58.31 56.05 1i4v n LYS 97 Cb 0.59 -1.57 -0.05 0.00 -1.84 0.00 0.00 35.03 32.17 1i4v n LYS 97 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1i4v s LYS 98 N -1.83 4.54 -0.16 1.97 -2.85 -1.23 -2.75 119.74 117.42 1i4v s LYS 98 Ca 0.00 1.60 -0.14 0.00 -1.00 0.00 0.00 55.97 56.43 1i4v s LYS 98 Cb 0.00 -2.97 -0.05 0.00 -2.06 0.00 0.00 37.83 32.75 1i4v s LYS 98 CO 0.00 0.18 0.31 -0.48 0.10 0.00 0.00 175.35 175.46 1i4v s LEU 99 N -1.81 4.23 -0.21 2.77 2.34 -1.26 -4.34 118.68 120.39 1i4v s LEU 99 Ca 0.48 0.52 0.01 0.00 0.06 0.00 0.00 54.13 55.20 1i4v s LEU 99 Cb -0.26 -2.41 0.05 0.00 -0.56 0.00 0.00 46.19 43.01 1i4v s LEU 99 CO 0.33 0.07 -0.11 -1.58 -1.06 0.00 0.00 176.35 174.01 1i4v s GLN 100 N 0.60 2.10 0.00 1.48 0.74 -1.09 -3.38 119.66 120.11 1i4v s GLN 100 Ca 0.17 -0.93 0.00 0.00 0.05 0.00 0.00 55.36 54.65 1i4v s GLN 100 Cb -0.13 -2.52 0.00 0.00 1.10 0.00 0.00 33.01 31.46 1i4v s GLN 100 CO 0.05 -0.45 0.00 1.47 -0.55 0.00 0.00 175.29 175.81 1i4v n LEU 101 N 4.64 0.00 0.32 3.68 -0.00 -1.14 -1.29 117.00 123.21 1i4v n LEU 101 Ca -0.15 -0.12 -0.13 0.00 -0.00 0.00 0.00 56.01 55.61 1i4v n LEU 101 Cb 0.46 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.82 1i4v n LEU 101 CO 0.20 0.00 0.37 0.03 -0.00 0.00 0.00 177.39 178.00 1i4v h ARG 102 N 0.00 -0.81 0.54 1.47 3.08 -1.99 -3.32 114.38 113.36 1i4v h ARG 102 Ca 0.00 0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1i4v h ARG 102 Cb 0.00 0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.24 1i4v h ARG 102 CO 0.00 -0.54 -0.26 -1.00 -1.07 0.00 0.00 179.97 177.10 1i4v h PRO 103 N -1.10 -0.70 -3.71 0.04 0.13 -2.01 -3.46 132.00 121.18 1i4v h PRO 103 Ca -0.09 0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 65.00 1i4v h PRO 103 Cb 0.64 0.16 -0.15 0.00 0.13 0.00 0.00 31.00 31.78 1i4v h PRO 103 CO 0.14 -0.42 -0.36 0.99 -0.23 0.00 0.00 178.00 178.12 1i4v s THR 104 N -5.50 0.13 -0.64 1.56 2.01 -1.25 -5.11 115.64 106.84 1i4v s THR 104 Ca -0.16 -1.07 -0.21 0.00 0.31 0.00 0.00 61.69 60.56 1i4v s THR 104 Cb 0.03 -1.21 0.08 0.00 0.01 0.00 0.00 72.50 71.41 1i4v s THR 104 CO 0.58 -0.59 0.89 0.54 -0.69 0.00 0.00 174.62 175.34 1i4v s VAL 105 N -3.49 4.47 -0.01 3.82 0.11 -1.26 -2.88 120.40 121.16 1i4v s VAL 105 Ca 0.02 -0.56 -0.04 0.00 -2.93 0.00 0.00 61.98 58.46 1i4v s VAL 105 Cb 0.03 -4.63 0.00 0.00 -1.53 0.00 0.00 36.38 30.25 1i4v s VAL 105 CO -0.09 -1.36 0.09 0.00 -3.33 0.00 0.00 175.10 170.41 1i4v s GLN 106 N 3.64 0.31 0.02 1.54 -2.07 -0.41 -2.96 119.66 119.74 1i4v s GLN 106 Ca 0.19 -0.24 -0.06 0.00 -1.82 0.00 0.00 55.36 53.43 1i4v s GLN 106 Cb -0.19 0.13 -0.01 0.00 -1.09 0.00 0.00 33.01 31.85 1i4v s GLN 106 CO 0.09 -0.06 0.11 -0.51 -1.32 0.00 0.00 175.29 173.59 1i4v s LEU 107 N -0.85 1.71 0.00 2.60 1.02 -0.99 -2.67 118.68 119.49 1i4v s LEU 107 Ca -0.09 -0.40 0.00 0.00 0.02 0.00 0.00 54.13 53.66 1i4v s LEU 107 Cb -0.06 0.62 0.00 0.00 0.02 0.00 0.00 46.19 46.77 1i4v s LEU 107 CO 0.00 -0.45 0.00 0.00 0.02 0.00 0.00 176.35 175.93 1i4v n ILE 108 N 1.07 -0.74 0.41 -0.59 0.00 -1.21 -0.32 119.36 117.98 1i4v n ILE 108 Ca -0.21 0.11 0.10 0.00 0.00 0.00 0.00 62.75 62.75 1i4v n ILE 108 Cb 0.57 -1.42 0.43 0.00 0.00 0.00 0.00 39.64 39.23 1i4v n ILE 108 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1i4v n PRO 109 N 1.43 0.13 -0.93 9.51 -0.05 -1.26 -3.81 135.00 140.03 1i4v n PRO 109 Ca 0.00 0.38 0.11 0.00 -0.05 0.00 0.00 63.50 63.95 1i4v n PRO 109 Cb 0.11 -1.76 -0.06 0.00 -0.05 0.00 0.00 33.50 31.74 1i4v n PRO 109 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 175.50 175.33 1i4v n MET 110 N -2.01 -2.11 0.00 0.54 1.56 -1.26 -4.33 117.12 109.50 1i4v n MET 110 Ca 0.02 1.69 0.00 0.00 -0.27 0.00 0.00 57.70 59.14 1i4v n MET 110 Cb 0.20 -2.48 0.00 0.00 2.15 0.00 0.00 33.22 33.09 1i4v n MET 110 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 1i4v n ASN 111 N -3.55 0.00 -0.18 6.12 4.05 -1.26 -4.46 115.26 115.97 1i4v n ASN 111 Ca -0.05 0.30 0.00 0.00 0.45 0.00 0.00 54.58 55.28 1i4v n ASN 111 Cb 0.44 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.45 1i4v n ASN 111 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1i4v n SER 112 N -0.50 0.00 0.00 1.20 3.41 -1.26 -4.84 113.62 111.63 1i4v n SER 112 Ca 0.00 -1.35 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 1i4v n SER 112 Cb 0.00 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 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 0.00 -0.05 -2.48 7.33 0.00 -1.26 -4.96 120.51 119.09 1i4v n ALA 113 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1i4v n ALA 113 Cb 0.57 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.14 0.90 1.11 0.00 1.13 -1.26 -5.15 117.35 112.93 1i4v s TYR 114 Ca 0.00 -1.17 -0.20 0.00 -1.41 0.00 0.00 57.07 54.29 1i4v s TYR 114 Cb 0.00 -0.33 0.07 0.00 -1.10 0.00 0.00 41.96 40.60 1i4v s TYR 114 CO 0.00 -0.73 -0.17 0.43 -2.51 0.00 0.00 175.55 172.57 1i4v n SER 115 N -0.29 -2.45 -4.50 -0.18 7.64 -1.26 -4.57 113.62 108.00 1i4v n SER 115 Ca 0.00 -0.11 -0.31 0.00 1.01 0.00 0.00 58.87 59.47 1i4v n SER 115 Cb 0.65 -0.91 0.18 0.00 -1.01 0.00 0.00 64.21 63.12 1i4v n SER 115 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1i4v n PRO 116 N -1.54 -1.11 -2.63 1.43 -0.01 -1.26 -4.78 135.00 125.09 1i4v n PRO 116 Ca 0.00 -0.28 -0.43 0.00 -0.01 0.00 0.00 63.50 62.78 1i4v n PRO 116 Cb 0.64 -2.10 -0.02 0.00 -0.01 0.00 0.00 33.50 32.01 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 -2.46 4.53 0.01 4.25 1.10 0.57 -4.64 121.20 124.55 1i4v s ILE 117 Ca 0.63 1.79 -0.30 0.00 -0.51 0.00 0.00 60.65 62.26 1i4v s ILE 117 Cb -0.22 -4.37 -0.04 0.00 0.15 0.00 0.00 42.46 37.98 1i4v s ILE 117 CO 0.63 -0.40 1.14 0.28 -2.11 0.00 0.00 174.94 174.48 1i4v s THR 118 N 3.57 4.33 0.45 4.00 -1.32 -1.26 -2.36 115.64 123.05 1i4v s THR 118 Ca 0.46 1.67 0.06 0.00 -1.21 0.00 0.00 61.69 62.67 1i4v s THR 118 Cb -0.13 -4.07 -0.03 0.00 -1.51 0.00 0.00 72.50 66.75 1i4v s THR 118 CO 0.13 0.09 0.19 -0.63 -2.21 0.00 0.00 174.62 172.19 1i4v s ILE 119 N 1.40 2.05 1.03 5.08 1.01 -1.16 -5.00 121.20 125.60 1i4v s ILE 119 Ca 0.56 -1.71 -0.18 0.00 0.00 0.00 0.00 60.65 59.31 1i4v s ILE 119 Cb -0.26 -2.76 0.05 0.00 0.01 0.00 0.00 42.46 39.50 1i4v s ILE 119 CO 0.26 0.00 -0.28 -1.54 0.00 0.00 0.00 174.94 173.39 1i4v n SER 120 N -1.31 -2.68 -4.58 3.58 3.41 -1.26 -4.56 113.62 106.23 1i4v n SER 120 Ca -0.04 -0.17 -0.16 0.00 -0.26 0.00 0.00 58.87 58.24 1i4v n SER 120 Cb 0.65 -0.77 -0.10 0.00 -0.26 0.00 0.00 64.21 63.73 1i4v n SER 120 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1i4v s SER 121 N -1.64 3.69 -1.60 4.04 0.01 -1.26 -3.73 113.70 113.22 1i4v s SER 121 Ca 0.43 -0.90 -0.12 0.00 1.31 0.00 0.00 55.95 56.67 1i4v s SER 121 Cb -0.04 -2.59 0.10 0.00 0.21 0.00 0.00 66.02 63.70 1i4v s SER 121 CO 0.53 -4.43 0.65 1.21 0.41 0.00 0.00 173.24 171.61 1i4v n GLU 122 N 8.29 -3.23 0.00 12.44 2.13 -1.26 -4.89 120.64 134.11 1i4v n GLU 122 Ca 0.42 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.63 1i4v n GLU 122 Cb 0.46 -4.88 0.00 0.00 0.27 0.00 0.00 31.44 27.29 1i4v n GLU 122 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1i4v n ASP 123 N -2.78 0.00 -3.14 4.31 2.03 -1.24 -4.70 116.55 111.03 1i4v n ASP 123 Ca -0.06 0.42 -0.17 0.00 0.52 0.00 0.00 54.79 55.49 1i4v n ASP 123 Cb 0.56 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.91 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 -0.83 -0.22 -0.11 5.18 2.01 -1.26 -5.11 115.64 115.29 1i4v s THR 124 Ca 0.00 -1.92 0.03 0.00 0.31 0.00 0.00 61.69 60.11 1i4v s THR 124 Cb 0.00 -0.73 0.01 0.00 0.01 0.00 0.00 72.50 71.79 1i4v s THR 124 CO 0.00 -0.72 -0.21 -0.76 -0.69 0.00 0.00 174.62 172.24 1i4v s LEU 125 N 0.44 2.01 0.16 4.42 2.01 -1.26 -4.55 118.68 121.90 1i4v s LEU 125 Ca 0.31 -0.54 -0.08 0.00 0.01 0.00 0.00 54.13 53.83 1i4v s LEU 125 Cb 0.02 -1.33 -0.01 0.00 0.01 0.00 0.00 46.19 44.87 1i4v s LEU 125 CO -0.13 0.10 0.25 -0.62 1.01 0.00 0.00 176.35 176.95 1i4v s ASP 126 N 0.65 0.08 0.46 2.29 2.15 -1.17 -4.98 116.67 116.15 1i4v s ASP 126 Ca -0.12 -0.92 -0.16 0.00 0.43 0.00 0.00 52.55 51.78 1i4v s ASP 126 Cb -0.16 0.41 -0.08 0.00 -0.30 0.00 0.00 42.92 42.79 1i4v s ASP 126 CO 0.03 -0.86 0.91 -0.69 -0.17 0.00 0.00 175.17 174.38 1i4v s VAL 127 N -3.98 4.57 -0.18 1.11 1.01 -1.26 -0.67 120.40 121.00 1i4v s VAL 127 Ca 0.18 1.13 -0.01 0.00 0.00 0.00 0.00 61.98 63.27 1i4v s VAL 127 Cb 0.04 -3.69 -0.11 0.00 0.00 0.00 0.00 36.38 32.62 1i4v s VAL 127 CO 0.00 -0.54 -0.18 0.33 0.00 0.00 0.00 175.10 174.71 1i4v n PHE 128 N -1.23 0.00 -0.40 5.22 7.35 0.53 -4.82 117.46 124.11 1i4v n PHE 128 Ca 0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 1i4v n PHE 128 Cb 0.54 -0.69 0.00 0.00 0.35 0.00 0.00 39.48 39.68 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 2.46 3.20 0.00 7.13 0.00 -1.26 -3.34 105.19 113.39 1i4v n GLY 129 Ca -0.33 -1.74 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 -4.26 1.61 3.14 -0.07 -3.49 118.33 115.26 1i4v n VAL 130 Ca 0.00 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.24 1i4v n VAL 130 Cb 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.68 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 -1.00 0.39 -0.39 1.55 0.11 -1.26 -4.68 120.40 115.12 1i4v s VAL 131 Ca 0.00 -1.99 0.02 0.00 -2.93 0.00 0.00 61.98 57.08 1i4v s VAL 131 Cb 0.00 -2.45 0.16 0.00 -1.53 0.00 0.00 36.38 32.56 1i4v s VAL 131 CO 0.00 -0.13 0.28 -0.63 -3.33 0.00 0.00 175.10 171.29 1i4v s ILE 132 N -3.87 0.29 -0.30 7.04 1.09 -1.26 -0.62 121.20 123.57 1i4v s ILE 132 Ca 0.34 -2.22 -0.28 0.00 -1.10 0.00 0.00 60.65 57.38 1i4v s ILE 132 Cb 0.07 -1.22 -0.02 0.00 -1.06 0.00 0.00 42.46 40.23 1i4v s ILE 132 CO 0.10 -1.11 1.80 -1.00 -0.10 0.00 0.00 174.94 174.63 1i4v s HIS 133 N 0.52 1.80 0.21 3.97 3.76 0.42 -4.69 115.29 121.30 1i4v s HIS 133 Ca 0.26 0.58 -0.21 0.00 -0.15 0.00 0.00 55.06 55.53 1i4v s HIS 133 Cb -0.09 -4.10 -0.08 0.00 1.11 0.00 0.00 32.58 29.41 1i4v s HIS 133 CO -0.10 -3.08 0.75 0.54 -0.85 0.00 0.00 174.74 172.00 1i4v s VAL 134 N 6.64 4.51 -0.39 -0.90 0.11 -1.26 -1.27 120.40 127.84 1i4v s VAL 134 Ca 0.80 1.41 0.02 0.00 -2.93 0.00 0.00 61.98 61.28 1i4v s VAL 134 Cb -0.24 -3.93 0.11 0.00 -1.53 0.00 0.00 36.38 30.79 1i4v s VAL 134 CO 0.33 0.28 0.12 -0.69 -3.33 0.00 0.00 175.10 171.81 1i4v s VAL 135 N -1.44 2.57 -0.46 2.04 1.01 0.18 -4.96 120.40 119.33 1i4v s VAL 135 Ca 0.42 -2.44 -0.25 0.00 0.00 0.00 0.00 61.98 59.71 1i4v s VAL 135 Cb -0.18 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.38 1i4v s VAL 135 CO 0.22 -0.65 0.92 -0.54 0.00 0.00 0.00 175.10 175.04 1i4v s LYS 136 N 0.76 3.52 0.21 2.72 1.02 -1.26 -1.70 119.74 125.01 1i4v s LYS 136 Ca 0.11 0.14 -0.31 0.00 0.02 0.00 0.00 55.97 55.93 1i4v s LYS 136 Cb -0.21 -3.93 -0.11 0.00 -0.52 0.00 0.00 37.83 33.07 1i4v s LYS 136 CO -0.06 -1.21 1.64 0.00 -0.92 0.00 0.00 175.35 174.79 1i4v s ALA 137 N 3.72 3.84 -0.29 5.17 0.00 -1.26 -4.98 121.76 127.97 1i4v s ALA 137 Ca 0.37 1.50 0.02 0.00 0.00 0.00 0.00 51.96 53.84 1i4v s ALA 137 Cb -0.10 -3.66 0.08 0.00 0.00 0.00 0.00 23.12 19.44 1i4v s ALA 137 CO 0.26 -0.88 0.01 -1.64 0.00 0.00 0.00 175.76 173.51 1i4v s MET 138 N 0.81 1.42 0.00 0.00 -1.94 -1.26 -5.08 119.30 113.25 1i4v s MET 138 Ca 0.71 -1.31 0.02 0.00 -1.71 0.00 0.00 55.69 53.40 1i4v s MET 138 Cb -0.47 -2.67 0.02 0.00 2.01 0.00 0.00 34.83 33.72 1i4v s MET 138 CO 0.35 -0.79 0.58 2.89 -0.01 0.00 0.00 175.02 178.04