#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 2.02 -1.81 0.00 3.72 -1.26 -5.09 117.46 115.04 1i4v n PHE 26 Ca 0.00 -3.91 -0.42 0.00 -0.05 0.00 0.00 57.45 53.08 1i4v n PHE 26 Cb 0.00 -0.47 -0.02 0.00 -0.94 0.00 0.00 39.48 38.05 1i4v n PHE 26 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1i4v s PRO 27 N -2.13 4.15 -0.39 -1.08 0.02 -1.26 -4.95 135.00 129.37 1i4v s PRO 27 Ca 0.39 2.53 0.10 0.00 0.02 0.00 0.00 61.00 64.04 1i4v s PRO 27 Cb 0.19 -3.07 0.30 0.00 0.02 0.00 0.00 34.50 31.94 1i4v s PRO 27 CO -0.06 -0.66 0.69 0.43 -0.33 0.00 0.00 177.00 177.07 1i4v n SER 28 N 3.21 0.12 0.00 2.53 7.64 -1.26 -5.01 113.62 120.85 1i4v n SER 28 Ca 0.12 -2.96 0.00 0.00 1.01 0.00 0.00 58.87 57.04 1i4v n SER 28 Cb 0.37 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1i4v n SER 28 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1i4v n PRO 29 N 0.79 0.00 -3.54 1.43 -0.02 -1.26 -4.99 135.00 127.41 1i4v n PRO 29 Ca 0.21 0.37 -0.10 0.00 -2.02 0.00 0.00 63.50 61.97 1i4v n PRO 29 Cb 0.61 -1.32 -0.04 0.00 -0.02 0.00 0.00 33.50 32.74 1i4v n PRO 29 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i4v s ALA 30 N -2.81 -1.88 0.00 3.55 0.00 -1.26 -5.15 121.76 114.21 1i4v s ALA 30 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1i4v s ALA 30 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.98 1i4v s ALA 30 CO 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 175.76 175.27 1i4v n ALA 31 N 0.27 0.00 -2.66 0.00 0.00 -1.26 -5.11 120.51 111.75 1i4v n ALA 31 Ca -0.10 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 1i4v n ALA 31 Cb 0.60 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.09 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 0.00 -1.24 0.00 0.00 2.03 -1.26 -5.08 116.55 111.00 1i4v n ASP 32 Ca 0.00 -1.83 0.00 0.00 0.52 0.00 0.00 54.79 53.48 1i4v n ASP 32 Cb 0.00 1.09 0.00 0.00 -0.72 0.00 0.00 41.12 41.49 1i4v n ASP 32 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1i4v n TYR 33 N -0.12 0.00 -3.18 -0.67 9.36 -1.26 -4.88 117.16 116.42 1i4v n TYR 33 Ca -0.17 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.04 1i4v n TYR 33 Cb 0.70 -0.10 0.00 0.00 -0.63 0.00 0.00 39.34 39.31 1i4v n TYR 33 CO 0.00 0.00 0.00 1.33 0.22 0.00 0.00 176.86 178.41 1i4v n VAL 34 N -0.87 0.00 -2.70 2.97 0.24 -1.26 -5.11 118.33 111.60 1i4v n VAL 34 Ca 0.00 -0.08 -0.04 0.00 -2.04 0.00 0.00 64.34 62.19 1i4v n VAL 34 Cb 0.00 -0.81 0.03 0.00 -1.47 0.00 0.00 33.84 31.59 1i4v n VAL 34 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1i4v n GLU 35 N -0.88 0.25 -1.26 7.34 0.28 -1.26 -5.16 120.64 119.95 1i4v n GLU 35 Ca 0.00 -1.20 0.00 0.00 -0.16 0.00 0.00 57.16 55.80 1i4v n GLU 35 Cb 0.02 -0.42 0.00 0.00 1.43 0.00 0.00 31.44 32.47 1i4v n GLU 35 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1i4v n GLN 36 N 2.65 0.98 -1.66 3.44 7.27 -1.26 -5.09 117.38 123.71 1i4v n GLN 36 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.20 1i4v n GLN 36 Cb 0.62 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.27 1i4v n GLN 36 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1i4v n ARG 37 N 0.00 -4.67 -0.17 3.69 1.74 -1.26 -4.89 116.66 111.10 1i4v n ARG 37 Ca 0.00 3.38 0.05 0.00 -0.77 0.00 0.00 57.85 60.51 1i4v n ARG 37 Cb 0.00 -3.74 0.13 0.00 -1.02 0.00 0.00 32.46 27.84 1i4v n ARG 37 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 1i4v n ILE 38 N 0.24 1.25 -2.98 0.55 3.06 -1.26 -4.86 119.36 115.36 1i4v n ILE 38 Ca 0.00 -1.20 -0.44 0.00 -2.50 0.00 0.00 62.75 58.61 1i4v n ILE 38 Cb 0.00 0.34 -0.00 0.00 0.54 0.00 0.00 39.64 40.52 1i4v n ILE 38 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1i4v s ASP 39 N -1.24 7.02 0.15 9.51 -1.08 -1.26 -4.82 116.67 124.95 1i4v s ASP 39 Ca 0.21 -2.90 -0.12 0.00 -0.52 0.00 0.00 52.55 49.22 1i4v s ASP 39 Cb 0.14 -2.38 0.03 0.00 -1.46 0.00 0.00 42.92 39.24 1i4v s ASP 39 CO 0.10 -0.76 1.64 0.25 0.52 0.00 0.00 175.17 176.93 1i4v h LEU 40 N 9.57 0.83 -1.50 -1.34 5.85 -1.97 -1.13 115.31 125.62 1i4v h LEU 40 Ca 0.28 -0.26 0.17 0.00 0.84 0.00 0.00 57.88 58.91 1i4v h LEU 40 Cb 0.90 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 1i4v h LEU 40 CO 1.20 0.88 0.55 -0.55 -0.34 0.00 0.00 178.44 180.19 1i4v h ASN 41 N 0.74 0.45 0.36 1.25 -1.07 -1.98 0.41 115.58 115.75 1i4v h ASN 41 Ca 0.16 0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.56 1i4v h ASN 41 Cb 0.41 -0.05 0.00 0.00 -2.07 0.00 0.00 38.32 36.61 1i4v h ASN 41 CO 0.01 0.21 -0.49 1.67 0.07 0.00 0.00 177.43 178.90 1i4v n GLN 42 N -4.51 0.26 -0.07 4.14 7.27 -1.00 -2.67 117.38 120.80 1i4v n GLN 42 Ca 0.17 -0.16 -0.12 0.00 0.07 0.00 0.00 57.00 56.96 1i4v n GLN 42 Cb 0.59 -1.50 -0.15 0.00 2.41 0.00 0.00 30.24 31.59 1i4v n GLN 42 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1i4v n LEU 43 N -1.23 1.01 -0.01 1.69 -0.00 0.11 -4.44 117.00 114.13 1i4v n LEU 43 Ca 0.07 0.13 0.10 0.00 -0.00 0.00 0.00 56.01 56.31 1i4v n LEU 43 Cb 0.34 0.01 -0.16 0.00 -0.00 0.00 0.00 43.42 43.61 1i4v n LEU 43 CO 0.33 0.57 -0.77 0.18 -0.00 0.00 0.00 177.39 177.71 1i4v n LEU 44 N -3.00 0.00 -4.95 -1.96 7.99 0.57 -4.98 117.00 110.68 1i4v n LEU 44 Ca -0.30 0.00 -0.20 0.00 -0.01 0.00 0.00 56.01 55.50 1i4v n LEU 44 Cb 1.09 0.02 0.00 0.00 -0.11 0.00 0.00 43.42 44.42 1i4v n LEU 44 CO 0.41 0.02 0.12 -0.63 -1.51 0.00 0.00 177.39 175.80 1i4v s ILE 45 N -3.42 2.53 0.00 -0.08 1.01 -1.09 -5.03 121.20 115.12 1i4v s ILE 45 Ca -0.08 -1.19 0.00 0.00 0.00 0.00 0.00 60.65 59.38 1i4v s ILE 45 Cb 0.13 -2.72 0.00 0.00 0.01 0.00 0.00 42.46 39.88 1i4v s ILE 45 CO 0.87 0.00 0.00 0.00 0.00 0.00 0.00 174.94 175.81 1i4v n GLN 46 N -1.81 3.54 -3.51 2.79 6.02 -1.26 -4.76 117.38 118.40 1i4v n GLN 46 Ca 0.07 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.83 1i4v n GLN 46 Cb 0.61 -0.99 -0.01 0.00 1.02 0.00 0.00 30.24 30.87 1i4v n GLN 46 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1i4v s HIS 47 N -1.97 3.41 0.02 1.08 3.76 -1.26 -5.04 115.29 115.29 1i4v s HIS 47 Ca 0.00 0.17 -0.20 0.00 -0.15 0.00 0.00 55.06 54.88 1i4v s HIS 47 Cb 0.00 -1.86 -0.11 0.00 1.11 0.00 0.00 32.58 31.72 1i4v s HIS 47 CO 0.00 0.14 1.19 -1.00 -0.85 0.00 0.00 174.74 174.22 1i4v h PRO 48 N 0.84 -0.70 -1.94 8.40 0.14 -1.96 -3.40 132.00 133.38 1i4v h PRO 48 Ca -0.50 0.05 -0.47 0.00 0.14 0.00 0.00 66.00 65.22 1i4v h PRO 48 Cb 1.23 0.16 -0.39 0.00 0.14 0.00 0.00 31.00 32.14 1i4v h PRO 48 CO 0.60 -0.47 -1.18 -1.13 0.14 0.00 0.00 178.00 175.96 1i4v n SER 49 N -4.15 0.74 -2.74 1.44 3.41 -1.26 -4.91 113.62 106.15 1i4v n SER 49 Ca -0.09 -3.03 -0.04 0.00 -0.26 0.00 0.00 58.87 55.45 1i4v n SER 49 Cb 0.29 -0.54 0.07 0.00 -0.26 0.00 0.00 64.21 63.76 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 0.28 2.73 -2.98 7.33 0.00 -1.26 -5.10 120.51 121.51 1i4v n ALA 50 Ca 0.24 -2.41 -0.19 0.00 0.00 0.00 0.00 53.44 51.09 1i4v n ALA 50 Cb 0.66 -0.91 -0.15 0.00 0.00 0.00 0.00 19.45 19.05 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 -2.43 0.66 0.28 0.00 2.01 -1.26 -2.75 115.64 112.15 1i4v s THR 51 Ca 0.24 -0.31 0.10 0.00 0.31 0.00 0.00 61.69 62.03 1i4v s THR 51 Cb 0.40 -0.59 -0.05 0.00 0.01 0.00 0.00 72.50 72.27 1i4v s THR 51 CO -0.03 0.21 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.64 1i4v s TYR 52 N 0.13 2.15 0.22 4.92 2.02 0.27 -4.86 117.35 122.21 1i4v s TYR 52 Ca -0.02 -0.46 -0.03 0.00 -0.37 0.00 0.00 57.07 56.19 1i4v s TYR 52 Cb -0.07 -1.05 -0.03 0.00 -0.40 0.00 0.00 41.96 40.41 1i4v s TYR 52 CO 0.00 0.56 0.23 -0.59 -1.57 0.00 0.00 175.55 174.18 1i4v s PHE 53 N -2.69 1.00 -0.16 2.71 -0.12 -1.26 0.14 117.98 117.61 1i4v s PHE 53 Ca 0.29 -1.24 -0.13 0.00 -0.05 0.00 0.00 56.93 55.79 1i4v s PHE 53 Cb -0.01 -0.38 0.04 0.00 -0.63 0.00 0.00 43.02 42.04 1i4v s PHE 53 CO 0.13 -0.75 0.41 0.54 -0.05 0.00 0.00 175.22 175.51 1i4v s VAL 54 N -4.06 -0.00 -0.07 -2.49 0.11 -1.00 -4.91 120.40 107.97 1i4v s VAL 54 Ca 0.35 0.02 -0.14 0.00 -2.93 0.00 0.00 61.98 59.28 1i4v s VAL 54 Cb 0.05 -0.58 -0.05 0.00 -1.53 0.00 0.00 36.38 34.27 1i4v s VAL 54 CO 0.12 0.01 0.36 -0.75 -3.33 0.00 0.00 175.10 171.51 1i4v s LYS 55 N 0.41 4.01 -0.54 1.54 2.36 -1.26 -2.73 119.74 123.53 1i4v s LYS 55 Ca -0.02 0.28 -0.28 0.00 -2.55 0.00 0.00 55.97 53.41 1i4v s LYS 55 Cb -0.04 -3.30 0.03 0.00 -1.05 0.00 0.00 37.83 33.47 1i4v s LYS 55 CO -0.02 0.51 1.11 0.00 1.55 0.00 0.00 175.35 178.50 1i4v s ALA 56 N -0.42 3.08 -0.31 3.13 0.00 -0.78 -4.85 121.76 121.62 1i4v s ALA 56 Ca 0.21 -0.79 0.18 0.00 0.00 0.00 0.00 51.96 51.56 1i4v s ALA 56 Cb -0.15 -3.92 0.48 0.00 0.00 0.00 0.00 23.12 19.53 1i4v s ALA 56 CO 0.09 -2.46 1.05 0.45 0.00 0.00 0.00 175.76 174.89 1i4v n SER 57 N 8.02 2.07 0.00 0.00 2.88 -1.26 -2.55 113.62 122.78 1i4v n SER 57 Ca 0.08 -2.62 0.00 0.00 -1.33 0.00 0.00 58.87 55.00 1i4v n SER 57 Cb 0.49 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.36 0.52 1.64 0.46 0.00 -1.26 -4.94 105.19 101.24 1i4v n GLY 58 Ca 0.14 0.36 -0.01 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.36 -1.89 1.61 5.75 -1.26 -3.13 116.55 117.27 1i4v n ASP 59 Ca 0.00 -1.20 -0.19 0.00 -0.01 0.00 0.00 54.79 53.39 1i4v n ASP 59 Cb 0.00 0.16 0.17 0.00 -1.03 0.00 0.00 41.12 40.42 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 -0.35 3.82 -1.28 -1.12 3.41 -1.26 -4.45 113.62 112.39 1i4v n SER 60 Ca -0.05 -3.70 -0.00 0.00 -0.26 0.00 0.00 58.87 54.86 1i4v n SER 60 Cb 0.57 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 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 -1.10 0.00 0.28 4.33 2.81 -1.26 -4.80 117.12 117.38 1i4v n MET 61 Ca 0.51 -0.00 0.16 0.00 -1.81 0.00 0.00 57.70 56.56 1i4v n MET 61 Cb 1.32 0.11 0.81 0.00 -0.71 0.00 0.00 33.22 34.75 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 0.01 0.32 -0.65 2.02 2.04 -1.78 -1.40 117.51 118.07 1i4v h ILE 62 Ca -0.00 -0.44 0.19 0.00 1.00 0.00 0.00 64.86 65.61 1i4v h ILE 62 Cb 0.89 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1i4v h ILE 62 CO -0.00 0.07 0.62 -2.24 0.00 0.00 0.00 178.15 176.60 1i4v h ASP 63 N 0.00 0.00 0.08 1.72 3.04 -1.87 0.49 116.42 119.87 1i4v h ASP 63 Ca -0.00 0.00 -0.37 0.00 -3.24 0.00 0.00 57.03 53.42 1i4v h ASP 63 Cb 0.32 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.58 1i4v h ASP 63 CO 0.01 0.00 -2.11 0.61 -2.04 0.00 0.00 179.24 175.71 1i4v n GLY 64 N -1.58 -0.51 0.00 7.15 0.00 -0.53 -4.84 105.19 104.86 1i4v n GLY 64 Ca 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 2.01 0.40 3.55 -0.02 0.00 0.16 -5.05 105.19 106.24 1i4v n GLY 65 Ca -0.37 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 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 3.27 -0.59 -0.61 -5.25 -1.24 -4.84 121.20 111.95 1i4v s ILE 66 Ca 0.00 0.09 0.06 0.00 -0.99 0.00 0.00 60.65 59.81 1i4v s ILE 66 Cb 0.00 -3.71 0.28 0.00 2.95 0.00 0.00 42.46 41.98 1i4v s ILE 66 CO 0.00 -0.69 0.78 -0.24 -1.79 0.00 0.00 174.94 173.01 1i4v n SER 67 N 13.80 3.52 -3.99 4.36 2.88 -1.26 -3.89 113.62 129.04 1i4v n SER 67 Ca 0.27 -3.43 -0.41 0.00 -1.33 0.00 0.00 58.87 53.97 1i4v n SER 67 Cb 0.52 -0.63 0.02 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 0.56 -3.84 0.00 -3.46 -0.08 -1.18 -4.75 116.55 103.80 1i4v n ASP 68 Ca 0.29 -1.22 0.00 0.00 -1.51 0.00 0.00 54.79 52.36 1i4v n ASP 68 Cb 0.43 -2.16 0.00 0.00 2.34 0.00 0.00 41.12 41.72 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 -2.03 -1.03 3.65 0.27 0.00 -1.06 -4.94 105.19 100.06 1i4v n GLY 69 Ca -0.13 0.20 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.17 -0.15 1.61 1.47 -1.26 -4.86 116.67 113.30 1i4v s ASP 70 Ca 0.00 0.29 -0.04 0.00 1.18 0.00 0.00 52.55 53.98 1i4v s ASP 70 Cb 0.00 0.85 -0.03 0.00 -0.34 0.00 0.00 42.92 43.40 1i4v s ASP 70 CO 0.00 -0.05 -0.02 -0.22 0.68 0.00 0.00 175.17 175.56 1i4v s LEU 71 N 0.82 3.34 0.11 2.11 1.98 -1.13 -1.86 118.68 124.05 1i4v s LEU 71 Ca -0.04 -0.08 0.09 0.00 -2.89 0.00 0.00 54.13 51.21 1i4v s LEU 71 Cb -0.03 -1.80 -0.04 0.00 0.66 0.00 0.00 46.19 44.97 1i4v s LEU 71 CO -0.12 0.19 -0.18 -1.48 -1.89 0.00 0.00 176.35 172.87 1i4v s LEU 72 N 0.23 2.69 -0.41 -0.68 2.34 -1.11 0.16 118.68 121.90 1i4v s LEU 72 Ca -0.02 -0.55 0.02 0.00 0.06 0.00 0.00 54.13 53.64 1i4v s LEU 72 Cb -0.14 -1.54 0.11 0.00 -0.56 0.00 0.00 46.19 44.07 1i4v s LEU 72 CO 0.03 0.18 0.15 -0.63 -1.06 0.00 0.00 176.35 175.02 1i4v s ILE 73 N -1.13 2.65 0.32 1.48 -1.09 0.13 -2.36 121.20 121.21 1i4v s ILE 73 Ca 0.18 -2.49 -0.09 0.00 -2.23 0.00 0.00 60.65 56.01 1i4v s ILE 73 Cb -0.11 -2.89 -0.07 0.00 -1.58 0.00 0.00 42.46 37.82 1i4v s ILE 73 CO 0.10 -0.67 0.65 0.54 -1.23 0.00 0.00 174.94 174.32 1i4v s VAL 74 N 0.69 4.88 -0.40 2.92 0.11 0.38 -0.22 120.40 128.75 1i4v s VAL 74 Ca 0.12 0.45 0.01 0.00 -2.93 0.00 0.00 61.98 59.63 1i4v s VAL 74 Cb -0.21 -3.69 0.11 0.00 -1.53 0.00 0.00 36.38 31.06 1i4v s VAL 74 CO -0.05 -0.32 0.16 -1.81 -3.33 0.00 0.00 175.10 169.75 1i4v s ASP 75 N -2.87 4.98 -0.66 3.54 1.11 0.39 0.97 116.67 124.13 1i4v s ASP 75 Ca 0.48 -2.22 -0.25 0.00 0.18 0.00 0.00 52.55 50.75 1i4v s ASP 75 Cb -0.11 -1.73 0.05 0.00 1.07 0.00 0.00 42.92 42.20 1i4v s ASP 75 CO 0.27 -0.44 1.09 -0.94 1.18 0.00 0.00 175.17 176.33 1i4v s SER 76 N 1.20 6.22 0.04 0.27 1.04 -1.11 -1.53 113.70 119.83 1i4v s SER 76 Ca 0.11 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1i4v s SER 76 Cb -0.21 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1i4v s SER 76 CO -0.05 -1.55 0.00 0.00 0.98 0.00 0.00 173.24 172.62 1i4v n ALA 77 N 8.30 0.00 -2.54 5.32 0.00 -1.25 -4.55 120.51 125.79 1i4v n ALA 77 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1i4v n ALA 77 Cb 0.47 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 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 3.62 0.19 0.00 1.09 -1.25 -4.94 121.20 117.90 1i4v s ILE 78 Ca 0.00 -1.38 -0.08 0.00 -1.10 0.00 0.00 60.65 58.09 1i4v s ILE 78 Cb 0.00 -3.20 -0.07 0.00 -1.06 0.00 0.00 42.46 38.13 1i4v s ILE 78 CO 0.00 -0.19 0.48 -0.89 -0.10 0.00 0.00 174.94 174.24 1i4v s THR 79 N -2.29 5.02 0.00 2.92 2.01 -1.25 -2.53 115.64 119.52 1i4v s THR 79 Ca 0.40 0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.73 1i4v s THR 79 Cb -0.06 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.83 1i4v s THR 79 CO 0.26 -0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.19 1i4v n ALA 80 N 0.03 0.00 -2.77 7.40 0.00 -1.09 -4.73 120.51 119.35 1i4v n ALA 80 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 1i4v n ALA 80 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.89 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 0.10 0.37 0.00 0.01 -1.26 -4.92 113.70 106.99 1i4v s SER 81 Ca 0.00 -0.46 -0.25 0.00 1.31 0.00 0.00 55.95 56.55 1i4v s SER 81 Cb 0.00 0.27 -0.12 0.00 0.21 0.00 0.00 66.02 66.38 1i4v s SER 81 CO 0.00 -0.56 0.86 1.41 0.41 0.00 0.00 173.24 175.36 1i4v n HIS 82 N 0.64 0.65 -2.24 2.43 8.25 -1.26 -2.59 115.22 121.10 1i4v n HIS 82 Ca -0.18 0.63 -0.02 0.00 -0.26 0.00 0.00 57.72 57.89 1i4v n HIS 82 Cb 0.59 -2.15 0.00 0.00 1.12 0.00 0.00 29.99 29.55 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 1.40 0.51 2.94 -1.41 0.00 -1.23 -5.05 105.19 102.36 1i4v n GLY 83 Ca 0.10 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.97 1.03 -0.94 1.61 1.01 -1.07 -5.01 116.67 110.33 1i4v s ASP 84 Ca 0.02 -0.15 -0.25 0.00 0.71 0.00 0.00 52.55 52.87 1i4v s ASP 84 Cb -0.01 -0.39 -0.11 0.00 1.01 0.00 0.00 42.92 43.43 1i4v s ASP 84 CO 0.02 0.00 2.11 -0.51 0.21 0.00 0.00 175.17 177.00 1i4v s ILE 85 N 0.53 3.28 0.24 0.77 -1.16 -1.26 -3.62 121.20 119.98 1i4v s ILE 85 Ca -0.08 -0.31 0.01 0.00 -0.51 0.00 0.00 60.65 59.76 1i4v s ILE 85 Cb -0.11 -3.81 -0.04 0.00 0.61 0.00 0.00 42.46 39.11 1i4v s ILE 85 CO 0.01 -0.55 0.17 0.68 -2.81 0.00 0.00 174.94 172.43 1i4v s VAL 86 N 12.66 0.05 -0.19 4.00 -7.23 -1.25 -4.40 120.40 124.05 1i4v s VAL 86 Ca 0.78 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.75 1i4v s VAL 86 Cb -0.07 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.33 1i4v s VAL 86 CO 0.07 0.00 0.61 -0.51 -0.31 0.00 0.00 175.10 174.96 1i4v s ILE 87 N -3.93 5.04 0.47 -0.62 1.10 -1.26 -2.56 121.20 119.45 1i4v s ILE 87 Ca 0.39 1.15 -0.03 0.00 -0.51 0.00 0.00 60.65 61.66 1i4v s ILE 87 Cb 0.06 -3.93 -0.02 0.00 0.15 0.00 0.00 42.46 38.72 1i4v s ILE 87 CO 0.16 0.13 0.74 0.00 -2.11 0.00 0.00 174.94 173.86 1i4v s ALA 88 N 1.79 3.53 -0.18 1.50 0.00 -1.08 -2.15 121.76 125.16 1i4v s ALA 88 Ca 0.28 -0.77 -0.17 0.00 0.00 0.00 0.00 51.96 51.30 1i4v s ALA 88 Cb -0.16 -2.38 0.05 0.00 0.00 0.00 0.00 23.12 20.62 1i4v s ALA 88 CO 0.11 -0.40 0.48 0.00 0.00 0.00 0.00 175.76 175.94 1i4v s ALA 89 N -2.67 -1.19 -0.20 0.00 0.00 0.19 -2.03 121.76 115.85 1i4v s ALA 89 Ca 0.48 1.37 -0.09 0.00 0.00 0.00 0.00 51.96 53.72 1i4v s ALA 89 Cb -0.10 -0.79 0.08 0.00 0.00 0.00 0.00 23.12 22.30 1i4v s ALA 89 CO 0.41 -0.23 0.45 0.54 0.00 0.00 0.00 175.76 176.94 1i4v s VAL 90 N 0.27 -0.38 -1.50 0.00 0.11 -1.24 -2.80 120.40 114.86 1i4v s VAL 90 Ca -0.00 0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1i4v s VAL 90 Cb -0.03 -0.69 0.00 0.00 -1.53 0.00 0.00 36.38 34.12 1i4v s VAL 90 CO 0.00 0.05 0.00 0.47 -3.33 0.00 0.00 175.10 172.29 1i4v n ASP 91 N 4.87 -3.88 -0.00 3.54 8.00 -1.26 -1.31 116.55 126.51 1i4v n ASP 91 Ca -0.15 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1i4v n ASP 91 Cb 0.52 -3.54 0.00 0.00 -0.02 0.00 0.00 41.12 38.08 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 1.73 3.81 0.44 0.00 -1.26 -5.11 105.19 104.47 1i4v n GLY 92 Ca -0.15 -0.03 -0.22 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 -0.89 2.63 -0.10 1.61 0.41 -0.42 -5.13 118.70 116.81 1i4v s GLU 93 Ca 0.00 -1.35 -0.04 0.00 -0.41 0.00 0.00 54.97 53.18 1i4v s GLU 93 Cb 0.00 -2.39 0.05 0.00 -1.78 0.00 0.00 34.13 30.01 1i4v s GLU 93 CO 0.00 0.14 0.20 -0.06 -0.49 0.00 0.00 175.26 175.04 1i4v s PHE 94 N -2.32 -0.26 0.33 1.61 0.08 -1.26 -3.60 117.98 112.56 1i4v s PHE 94 Ca 0.39 0.73 0.06 0.00 0.12 0.00 0.00 56.93 58.24 1i4v s PHE 94 Cb -0.05 -0.18 -0.07 0.00 -0.57 0.00 0.00 43.02 42.16 1i4v s PHE 94 CO 0.25 -0.30 -0.02 0.95 -0.10 0.00 0.00 175.22 176.01 1i4v s THR 95 N 2.30 1.70 -0.59 0.64 -4.23 -0.86 -4.94 115.64 109.67 1i4v s THR 95 Ca 0.02 -2.07 0.05 0.00 -1.18 0.00 0.00 61.69 58.51 1i4v s THR 95 Cb -0.12 -2.71 0.18 0.00 1.34 0.00 0.00 72.50 71.19 1i4v s THR 95 CO -0.07 -0.13 0.47 0.52 -0.54 0.00 0.00 174.62 174.87 1i4v n VAL 96 N -0.74 0.63 -3.62 2.29 0.31 -1.26 -2.64 118.33 113.30 1i4v n VAL 96 Ca -0.04 -4.38 0.01 0.00 -0.01 0.00 0.00 64.34 59.92 1i4v n VAL 96 Cb 0.65 -1.99 -0.01 0.00 -0.91 0.00 0.00 33.84 31.59 1i4v n VAL 96 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1i4v s LYS 97 N -1.05 0.42 -1.00 5.55 2.47 -1.06 -3.49 119.74 121.58 1i4v s LYS 97 Ca 0.30 -0.23 -0.23 0.00 -1.56 0.00 0.00 55.97 54.24 1i4v s LYS 97 Cb 0.02 0.15 0.01 0.00 -1.46 0.00 0.00 37.83 36.54 1i4v s LYS 97 CO -0.16 -0.19 1.65 -1.59 0.16 0.00 0.00 175.35 175.22 1i4v s LYS 98 N -2.46 3.22 0.46 4.03 -2.85 -1.24 -3.81 119.74 117.09 1i4v s LYS 98 Ca 0.14 -0.88 -0.25 0.00 -1.00 0.00 0.00 55.97 53.98 1i4v s LYS 98 Cb 0.04 -5.26 -0.08 0.00 -2.06 0.00 0.00 37.83 30.47 1i4v s LYS 98 CO -0.04 -2.67 1.41 -0.48 0.10 0.00 0.00 175.35 173.67 1i4v s LEU 99 N 6.89 4.09 -0.08 2.77 2.34 -1.26 -4.46 118.68 128.97 1i4v s LEU 99 Ca 0.55 2.89 0.03 0.00 0.06 0.00 0.00 54.13 57.66 1i4v s LEU 99 Cb -0.02 -3.97 0.01 0.00 -0.56 0.00 0.00 46.19 41.65 1i4v s LEU 99 CO -0.05 -1.21 -0.15 -1.58 -1.06 0.00 0.00 176.35 172.30 1i4v s GLN 100 N -2.49 2.04 0.00 1.48 0.74 -1.16 -3.48 119.66 116.79 1i4v s GLN 100 Ca 0.62 -0.52 0.00 0.00 0.05 0.00 0.00 55.36 55.51 1i4v s GLN 100 Cb -0.43 -1.65 0.00 0.00 1.10 0.00 0.00 33.01 32.03 1i4v s GLN 100 CO 0.55 0.05 0.06 1.28 -0.55 0.00 0.00 175.29 176.68 1i4v n LEU 101 N 3.81 0.13 -0.03 3.68 4.77 -1.10 -1.70 117.00 126.56 1i4v n LEU 101 Ca -0.22 -0.31 -0.00 0.00 -0.03 0.00 0.00 56.01 55.45 1i4v n LEU 101 Cb 0.52 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1i4v n LEU 101 CO 0.26 0.03 -0.02 0.03 -1.33 0.00 0.00 177.39 176.36 1i4v h ARG 102 N 0.00 0.00 0.38 3.23 3.08 -2.01 -3.40 114.38 115.66 1i4v h ARG 102 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1i4v h ARG 102 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1i4v h ARG 102 CO 0.00 0.00 -0.18 -1.00 -1.07 0.00 0.00 179.97 177.72 1i4v h PRO 103 N -0.54 -0.49 -3.75 0.04 0.13 -2.02 -3.47 132.00 121.90 1i4v h PRO 103 Ca 0.00 0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 65.04 1i4v h PRO 103 Cb 0.03 0.11 -0.08 0.00 0.13 0.00 0.00 31.00 31.19 1i4v h PRO 103 CO 0.00 -0.22 -0.12 0.99 -0.23 0.00 0.00 178.00 178.42 1i4v s THR 104 N -5.29 0.00 -0.52 1.56 2.01 -1.26 -5.12 115.64 107.02 1i4v s THR 104 Ca -0.15 -1.44 -0.14 0.00 0.31 0.00 0.00 61.69 60.26 1i4v s THR 104 Cb 0.03 -2.40 0.12 0.00 0.01 0.00 0.00 72.50 70.26 1i4v s THR 104 CO 0.58 0.00 0.46 0.68 -0.69 0.00 0.00 174.62 175.65 1i4v s VAL 105 N -3.59 5.00 0.16 3.82 -7.23 -1.24 -2.70 120.40 114.63 1i4v s VAL 105 Ca 0.25 -1.51 0.09 0.00 -1.81 0.00 0.00 61.98 59.00 1i4v s VAL 105 Cb -0.01 -4.19 -0.04 0.00 0.56 0.00 0.00 36.38 32.70 1i4v s VAL 105 CO 0.13 -0.82 -0.21 -1.10 -0.31 0.00 0.00 175.10 172.79 1i4v s GLN 106 N 1.55 1.32 0.05 4.82 -0.21 -0.69 -2.46 119.66 124.05 1i4v s GLN 106 Ca 0.04 -1.39 -0.00 0.00 0.02 0.00 0.00 55.36 54.02 1i4v s GLN 106 Cb -0.29 -1.51 -0.04 0.00 1.00 0.00 0.00 33.01 32.17 1i4v s GLN 106 CO 0.03 0.32 -0.04 -1.17 -2.12 0.00 0.00 175.29 172.31 1i4v s LEU 107 N -2.50 2.44 -0.02 2.90 2.96 -0.43 -2.96 118.68 121.07 1i4v s LEU 107 Ca 0.15 -0.90 -0.03 0.00 -0.22 0.00 0.00 54.13 53.13 1i4v s LEU 107 Cb -0.07 0.13 -0.01 0.00 0.50 0.00 0.00 46.19 46.73 1i4v s LEU 107 CO 0.07 -0.52 0.08 0.00 -1.32 0.00 0.00 176.35 174.67 1i4v n ILE 108 N 0.38 0.00 0.18 6.68 3.06 -1.26 -2.66 119.36 125.74 1i4v n ILE 108 Ca -0.16 0.00 0.04 0.00 -2.50 0.00 0.00 62.75 60.14 1i4v n ILE 108 Cb 0.60 -0.02 0.32 0.00 0.54 0.00 0.00 39.64 41.08 1i4v n ILE 108 CO 0.00 0.00 0.00 1.55 -2.50 0.00 0.00 176.55 175.60 1i4v h PRO 109 N 0.25 0.00 -0.09 9.51 0.14 -1.83 -3.39 132.00 136.60 1i4v h PRO 109 Ca -0.03 0.00 0.01 0.00 0.14 0.00 0.00 66.00 66.12 1i4v h PRO 109 Cb 0.08 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 31.22 1i4v h PRO 109 CO 0.05 0.41 -0.03 -0.12 0.14 0.00 0.00 178.00 178.45 1i4v n MET 110 N -3.62 -0.09 -1.52 0.86 1.56 -1.26 -3.28 117.12 109.77 1i4v n MET 110 Ca -0.01 0.07 -0.20 0.00 -0.27 0.00 0.00 57.70 57.30 1i4v n MET 110 Cb 0.51 -0.10 -0.16 0.00 2.15 0.00 0.00 33.22 35.62 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 -1.98 -0.06 -2.25 6.12 5.15 -1.26 -2.98 115.26 118.00 1i4v n ASN 111 Ca -0.00 -0.86 0.00 0.00 -0.60 0.00 0.00 54.58 53.11 1i4v n ASN 111 Cb 0.02 -1.00 0.00 0.00 -0.53 0.00 0.00 39.78 38.27 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 10.97 -0.87 -0.01 1.20 3.41 -1.26 -4.78 113.62 122.28 1i4v n SER 112 Ca 0.59 0.44 -0.00 0.00 -0.26 0.00 0.00 58.87 59.64 1i4v n SER 112 Cb 0.25 -0.88 -0.00 0.00 -0.26 0.00 0.00 64.21 63.33 1i4v n SER 112 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i4v h ALA 113 N 1.13 0.00 -2.55 7.33 0.00 -1.69 -3.49 119.26 119.99 1i4v h ALA 113 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1i4v h ALA 113 Cb 0.87 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.50 1i4v h ALA 113 CO 0.00 0.01 -0.52 1.52 0.00 0.00 0.00 179.25 180.25 1i4v s TYR 114 N -1.12 0.23 1.09 0.00 1.13 -1.21 -5.10 117.35 112.38 1i4v s TYR 114 Ca -0.00 -0.58 -0.18 0.00 -1.41 0.00 0.00 57.07 54.90 1i4v s TYR 114 Cb 0.00 -0.16 0.11 0.00 -1.10 0.00 0.00 41.96 40.81 1i4v s TYR 114 CO 0.00 -0.39 -0.00 0.43 -2.51 0.00 0.00 175.55 173.08 1i4v n SER 115 N 0.59 -2.65 -4.71 -0.18 7.64 -1.26 -4.52 113.62 108.53 1i4v n SER 115 Ca -0.18 -0.22 -0.43 0.00 1.01 0.00 0.00 58.87 59.05 1i4v n SER 115 Cb 0.59 -0.86 -0.02 0.00 -1.01 0.00 0.00 64.21 62.90 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 -1.76 2.51 -3.06 1.43 -0.01 -1.26 -4.67 135.00 128.18 1i4v n PRO 116 Ca 0.02 0.90 -0.40 0.00 -0.01 0.00 0.00 63.50 64.01 1i4v n PRO 116 Cb 0.56 -2.67 -0.05 0.00 -0.01 0.00 0.00 33.50 31.33 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 0.38 4.92 -0.06 4.25 2.07 -1.09 -4.74 121.20 126.93 1i4v s ILE 117 Ca 0.69 1.47 -0.30 0.00 -1.41 0.00 0.00 60.65 61.10 1i4v s ILE 117 Cb -0.56 -4.04 -0.02 0.00 0.13 0.00 0.00 42.46 37.97 1i4v s ILE 117 CO 0.44 0.32 1.00 0.28 -1.91 0.00 0.00 174.94 175.07 1i4v s THR 118 N 0.35 4.80 0.00 4.00 -1.32 -1.26 -1.32 115.64 120.90 1i4v s THR 118 Ca 0.37 2.04 0.00 0.00 -1.21 0.00 0.00 61.69 62.88 1i4v s THR 118 Cb -0.19 -4.31 0.00 0.00 -1.51 0.00 0.00 72.50 66.50 1i4v s THR 118 CO 0.19 0.06 0.14 -0.38 -2.21 0.00 0.00 174.62 172.42 1i4v n ILE 119 N 4.31 0.00 -2.94 5.08 5.41 -1.03 -4.99 119.36 125.20 1i4v n ILE 119 Ca 0.08 0.32 0.00 0.00 1.00 0.00 0.00 62.75 64.15 1i4v n ILE 119 Cb 0.49 -0.69 0.00 0.00 -0.71 0.00 0.00 39.64 38.73 1i4v n ILE 119 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1i4v n SER 120 N -0.37 0.00 -3.41 4.38 2.88 -1.26 -5.02 113.62 110.82 1i4v n SER 120 Ca 0.00 -0.64 -0.35 0.00 -1.33 0.00 0.00 58.87 56.55 1i4v n SER 120 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1i4v n SER 120 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1i4v n SER 121 N -0.45 5.24 -3.34 -3.46 7.64 -1.26 -4.47 113.62 113.52 1i4v n SER 121 Ca 0.00 -2.56 -0.14 0.00 1.01 0.00 0.00 58.87 57.18 1i4v n SER 121 Cb 0.00 -1.33 0.03 0.00 -1.01 0.00 0.00 64.21 61.90 1i4v n SER 121 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1i4v n GLU 122 N 4.98 -1.56 0.00 1.43 1.02 -1.26 -4.99 120.64 120.26 1i4v n GLU 122 Ca 0.56 1.02 0.00 0.00 -0.02 0.00 0.00 57.16 58.72 1i4v n GLU 122 Cb 0.26 -4.98 0.00 0.00 -0.02 0.00 0.00 31.44 26.70 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 -2.44 0.00 -3.15 1.62 9.92 -1.26 -4.97 116.55 116.27 1i4v n ASP 123 Ca -0.08 0.00 -0.17 0.00 -0.53 0.00 0.00 54.79 54.02 1i4v n ASP 123 Cb 0.57 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 41.00 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 0.00 -0.28 -0.14 -3.53 2.01 -1.26 -5.11 115.64 107.33 1i4v s THR 124 Ca 0.00 -1.75 0.01 0.00 0.31 0.00 0.00 61.69 60.25 1i4v s THR 124 Cb 0.00 -0.68 0.02 0.00 0.01 0.00 0.00 72.50 71.85 1i4v s THR 124 CO 0.00 -0.66 -0.14 -0.76 -0.69 0.00 0.00 174.62 172.37 1i4v s LEU 125 N 0.59 1.66 0.13 4.42 2.01 -1.26 -4.53 118.68 121.69 1i4v s LEU 125 Ca 0.29 -0.46 -0.08 0.00 0.01 0.00 0.00 54.13 53.89 1i4v s LEU 125 Cb -0.01 -1.14 -0.01 0.00 0.01 0.00 0.00 46.19 45.05 1i4v s LEU 125 CO -0.12 -0.05 0.23 -0.62 1.01 0.00 0.00 176.35 176.80 1i4v s ASP 126 N 1.40 0.10 0.26 2.29 2.15 -1.12 -4.96 116.67 116.79 1i4v s ASP 126 Ca 0.03 -0.79 -0.05 0.00 0.43 0.00 0.00 52.55 52.17 1i4v s ASP 126 Cb -0.13 0.38 -0.05 0.00 -0.30 0.00 0.00 42.92 42.82 1i4v s ASP 126 CO -0.09 -0.81 0.53 -0.69 -0.17 0.00 0.00 175.17 173.95 1i4v s VAL 127 N -3.92 5.03 -0.15 1.11 1.01 -1.26 0.54 120.40 122.77 1i4v s VAL 127 Ca 0.12 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.06 1i4v s VAL 127 Cb 0.04 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1i4v s VAL 127 CO -0.05 -0.25 -0.24 0.33 0.00 0.00 0.00 175.10 174.88 1i4v n PHE 128 N -0.73 0.40 -0.45 5.22 -0.00 -0.92 -4.49 117.46 116.49 1i4v n PHE 128 Ca -0.02 0.18 0.00 0.00 -0.00 0.00 0.00 57.45 57.61 1i4v n PHE 128 Cb 0.53 -0.58 0.00 0.00 -0.00 0.00 0.00 39.48 39.43 1i4v n PHE 128 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1i4v n GLY 129 N 1.54 -0.99 0.00 7.13 0.00 -1.23 -3.88 105.19 107.76 1i4v n GLY 129 Ca -0.10 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.96 0.01 -3.60 1.61 3.14 -0.58 -2.67 118.33 115.29 1i4v n VAL 130 Ca 0.00 -0.04 -0.08 0.00 -2.96 0.00 0.00 64.34 61.26 1i4v n VAL 130 Cb 0.00 1.81 -0.05 0.00 -1.06 0.00 0.00 33.84 34.55 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 -0.01 0.00 -0.41 1.55 0.11 -1.26 -4.80 120.40 115.58 1i4v s VAL 131 Ca 0.00 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 1i4v s VAL 131 Cb 0.00 -1.00 0.14 0.00 -1.53 0.00 0.00 36.38 33.99 1i4v s VAL 131 CO 0.00 0.00 0.25 -0.63 -3.33 0.00 0.00 175.10 171.39 1i4v s ILE 132 N -1.06 0.77 -0.31 7.04 1.09 -1.25 -0.46 121.20 127.02 1i4v s ILE 132 Ca 0.01 -2.28 -0.28 0.00 -1.10 0.00 0.00 60.65 57.00 1i4v s ILE 132 Cb -0.01 -1.55 -0.02 0.00 -1.06 0.00 0.00 42.46 39.82 1i4v s ILE 132 CO -0.01 -0.99 1.86 -1.00 -0.10 0.00 0.00 174.94 174.69 1i4v s HIS 133 N 0.54 1.72 0.45 3.97 3.76 0.69 -4.59 115.29 121.83 1i4v s HIS 133 Ca 0.20 0.60 -0.22 0.00 -0.15 0.00 0.00 55.06 55.50 1i4v s HIS 133 Cb -0.19 -4.10 -0.09 0.00 1.11 0.00 0.00 32.58 29.31 1i4v s HIS 133 CO -0.03 -3.13 1.02 0.54 -0.85 0.00 0.00 174.74 172.28 1i4v s VAL 134 N 7.04 3.92 -0.31 -0.90 0.11 -1.26 0.23 120.40 129.22 1i4v s VAL 134 Ca 0.83 1.28 0.01 0.00 -2.93 0.00 0.00 61.98 61.17 1i4v s VAL 134 Cb -0.24 -3.56 0.10 0.00 -1.53 0.00 0.00 36.38 31.14 1i4v s VAL 134 CO 0.34 -0.18 0.06 -0.69 -3.33 0.00 0.00 175.10 171.30 1i4v s VAL 135 N -1.93 1.50 -0.37 2.04 1.01 0.41 -4.91 120.40 118.15 1i4v s VAL 135 Ca 0.63 -1.75 -0.22 0.00 0.00 0.00 0.00 61.98 60.63 1i4v s VAL 135 Cb -0.16 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.15 1i4v s VAL 135 CO 0.20 -0.59 0.75 -0.75 0.00 0.00 0.00 175.10 174.71 1i4v s LYS 136 N 1.31 3.69 -0.38 2.72 2.20 -1.26 -2.82 119.74 125.20 1i4v s LYS 136 Ca 0.09 0.20 -0.27 0.00 -0.36 0.00 0.00 55.97 55.62 1i4v s LYS 136 Cb -0.18 -3.82 -0.05 0.00 -1.51 0.00 0.00 37.83 32.26 1i4v s LYS 136 CO -0.16 -0.85 2.25 0.00 -0.36 0.00 0.00 175.35 176.23 1i4v s ALA 137 N 3.02 2.18 -0.38 3.13 0.00 -1.26 -4.92 121.76 123.53 1i4v s ALA 137 Ca 0.29 0.29 -0.06 0.00 0.00 0.00 0.00 51.96 52.48 1i4v s ALA 137 Cb -0.13 -4.21 0.07 0.00 0.00 0.00 0.00 23.12 18.84 1i4v s ALA 137 CO 0.17 -3.65 0.17 1.41 0.00 0.00 0.00 175.76 173.86 1i4v s MET 138 N 7.25 2.49 0.00 0.00 1.75 -1.26 -5.17 119.30 124.37 1i4v s MET 138 Ca 0.95 -1.40 0.05 0.00 -1.25 0.00 0.00 55.69 54.05 1i4v s MET 138 Cb -0.23 -3.57 0.04 0.00 2.84 0.00 0.00 34.83 33.91 1i4v s MET 138 CO 0.30 -0.83 0.66 -2.13 -0.65 0.00 0.00 175.02 172.37