#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cal s GLU 64 N 0.00 4.14 0.09 3.49 2.12 -1.26 -5.04 118.70 122.25 3cal s GLU 64 Ca 0.00 2.53 0.02 0.00 0.36 0.00 0.00 54.97 57.88 3cal s GLU 64 Cb 0.00 -3.00 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 3cal s GLU 64 CO 0.00 -0.52 -0.07 0.95 -0.54 0.00 0.00 175.26 175.08 3cal s THR 65 N -0.81 0.70 0.09 -1.70 -4.23 -1.26 -4.13 115.64 104.30 3cal s THR 65 Ca 0.55 -1.78 0.03 0.00 -1.18 0.00 0.00 61.69 59.31 3cal s THR 65 Cb -0.46 -1.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.85 3cal s THR 65 CO 0.58 -0.77 0.10 0.00 -0.54 0.00 0.00 174.62 173.99 3cal s PHE 67 N -1.44 2.59 -0.26 0.00 5.36 -1.26 -0.85 117.98 122.11 3cal s PHE 67 Ca 0.30 -1.09 -0.08 0.00 -0.96 0.00 0.00 56.93 55.10 3cal s PHE 67 Cb -0.12 -1.74 -0.03 0.00 -0.34 0.00 0.00 43.02 40.80 3cal s PHE 67 CO 0.23 -0.45 0.09 0.34 -1.46 0.00 0.00 175.22 173.97 3cal s ASP 68 N 0.43 5.26 0.38 6.13 -1.08 -0.58 -4.98 116.67 122.23 3cal s ASP 68 Ca -0.16 -0.26 0.28 0.00 -0.52 0.00 0.00 52.55 51.89 3cal s ASP 68 Cb -0.17 -1.95 1.07 0.00 -1.46 0.00 0.00 42.92 40.41 3cal s ASP 68 CO 0.07 -0.06 1.82 0.07 0.52 0.00 0.00 175.17 177.58 3cal h LYS 69 N 8.26 0.00 0.01 4.34 2.10 -1.96 0.13 116.57 129.46 3cal h LYS 69 Ca -0.37 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.18 3cal h LYS 69 Cb 1.17 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.49 3cal h LYS 69 CO 0.58 0.00 -0.51 1.88 -2.00 0.00 0.00 179.45 179.40 3cal h TYR 70 N 0.00 0.05 0.00 0.07 -1.99 -1.93 -3.36 116.97 109.81 3cal h TYR 70 Ca 0.00 -0.04 -0.07 0.00 2.00 0.00 0.00 58.73 60.62 3cal h TYR 70 Cb 0.51 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.23 3cal h TYR 70 CO 0.00 1.20 -0.44 1.79 -0.00 0.00 0.00 178.16 180.71 3cal h THR 71 N -0.93 0.48 -0.27 -2.88 1.35 -1.89 -3.48 112.91 105.30 3cal h THR 71 Ca -0.13 -1.70 -0.12 0.00 -0.55 0.00 0.00 66.41 63.91 3cal h THR 71 Cb 1.17 2.18 -0.05 0.00 -1.73 0.00 0.00 68.15 69.73 3cal h THR 71 CO -0.05 0.27 -0.11 0.61 -0.25 0.00 0.00 175.52 175.99 3cal n GLY 72 N 1.19 0.81 3.74 5.82 0.00 0.46 -5.02 105.19 112.18 3cal n GLY 72 Ca 0.02 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 3cal n GLY 72 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3cal s ASN 73 N -2.71 4.89 0.17 1.61 0.02 -1.23 -4.93 114.94 112.74 3cal s ASN 73 Ca 0.00 -0.59 0.05 0.00 -1.02 0.00 0.00 52.86 51.30 3cal s ASN 73 Cb 0.00 -0.94 -0.04 0.00 0.02 0.00 0.00 41.25 40.29 3cal s ASN 73 CO 0.00 -0.15 0.15 0.42 0.02 0.00 0.00 177.10 177.54 3cal s THR 74 N -2.32 4.56 0.05 1.60 -4.23 -1.26 -1.53 115.64 112.52 3cal s THR 74 Ca 0.35 -1.05 0.02 0.00 -1.18 0.00 0.00 61.69 59.82 3cal s THR 74 Cb -0.05 -3.33 -0.03 0.00 1.34 0.00 0.00 72.50 70.42 3cal s THR 74 CO 0.23 -0.11 -0.07 -0.31 -0.54 0.00 0.00 174.62 173.82 3cal s TYR 75 N -1.76 0.66 0.39 3.99 2.02 -0.03 -4.97 117.35 117.66 3cal s TYR 75 Ca 0.31 -0.62 -0.02 0.00 -0.37 0.00 0.00 57.07 56.38 3cal s TYR 75 Cb -0.10 -0.40 -0.03 0.00 -0.40 0.00 0.00 41.96 41.02 3cal s TYR 75 CO 0.24 -0.12 0.63 1.03 -1.57 0.00 0.00 175.55 175.76 3cal s ARG 76 N -2.16 3.51 0.17 -0.62 1.81 -1.26 -1.21 118.95 119.18 3cal s ARG 76 Ca -0.05 -0.15 -0.33 0.00 -1.72 0.00 0.00 55.73 53.48 3cal s ARG 76 Cb -0.06 -2.56 -0.13 0.00 -0.45 0.00 0.00 34.95 31.75 3cal s ARG 76 CO -0.01 0.03 1.67 0.28 -0.68 0.00 0.00 175.30 176.58 3cal n VAL 77 N -1.94 0.05 0.00 3.52 0.31 -1.26 -1.60 118.33 117.41 3cal n VAL 77 Ca -0.03 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 3cal n VAL 77 Cb 0.56 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 3cal n VAL 77 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3cal n GLY 78 N 3.74 2.12 3.77 2.92 0.00 0.01 -5.02 105.19 112.73 3cal n GLY 78 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3cal n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cal s ASP 79 N -1.45 6.39 0.09 1.61 1.01 -0.63 -4.72 116.67 118.96 3cal s ASP 79 Ca 0.00 2.35 0.09 0.00 0.71 0.00 0.00 52.55 55.70 3cal s ASP 79 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 3cal s ASP 79 CO 0.00 -0.77 -0.21 0.42 0.21 0.00 0.00 175.17 174.82 3cal s THR 80 N -1.45 2.62 0.25 -1.27 -4.23 -1.26 -1.04 115.64 109.26 3cal s THR 80 Ca 0.59 -1.44 -0.22 0.00 -1.18 0.00 0.00 61.69 59.45 3cal s THR 80 Cb -0.30 -2.14 0.03 0.00 1.34 0.00 0.00 72.50 71.42 3cal s THR 80 CO 0.38 0.21 0.71 -0.72 -0.54 0.00 0.00 174.62 174.65 3cal s TYR 81 N -1.02 -0.25 -0.16 3.99 -0.85 -0.44 -5.00 117.35 113.62 3cal s TYR 81 Ca 0.15 -0.15 -0.11 0.00 -0.52 0.00 0.00 57.07 56.44 3cal s TYR 81 Cb -0.10 0.68 -0.05 0.00 0.38 0.00 0.00 41.96 42.87 3cal s TYR 81 CO 0.07 -1.15 0.21 -1.21 -1.52 0.00 0.00 175.55 171.95 3cal s GLU 82 N -3.86 4.07 -0.15 -3.49 2.02 -1.26 -0.61 118.70 115.42 3cal s GLU 82 Ca 0.09 -0.05 -0.01 0.00 0.02 0.00 0.00 54.97 55.02 3cal s GLU 82 Cb -0.05 -3.37 -0.01 0.00 0.10 0.00 0.00 34.13 30.80 3cal s GLU 82 CO 0.03 0.38 -0.11 0.50 0.02 0.00 0.00 175.26 176.08 3cal s ARG 83 N 0.07 3.38 -0.32 1.61 3.52 0.27 -4.90 118.95 122.59 3cal s ARG 83 Ca 0.13 -0.67 -0.21 0.00 -0.13 0.00 0.00 55.73 54.85 3cal s ARG 83 Cb -0.12 -2.71 -0.00 0.00 -1.56 0.00 0.00 34.95 30.55 3cal s ARG 83 CO 0.02 0.12 0.65 -1.25 -0.81 0.00 0.00 175.30 174.04 3cal s PRO 84 N 0.59 3.84 -0.22 5.12 0.04 -1.26 -0.22 135.00 142.89 3cal s PRO 84 Ca -0.07 0.27 -0.18 0.00 0.04 0.00 0.00 61.00 61.06 3cal s PRO 84 Cb -0.15 -3.75 0.06 0.00 0.04 0.00 0.00 34.50 30.70 3cal s PRO 84 CO 0.03 -0.64 0.58 0.21 0.04 0.00 0.00 177.00 177.22 3cal s LYS 85 N 2.69 0.64 -1.51 4.56 2.20 -0.57 -4.86 119.74 122.89 3cal s LYS 85 Ca 0.26 0.88 -0.13 0.00 -0.36 0.00 0.00 55.97 56.62 3cal s LYS 85 Cb -0.15 0.25 0.07 0.00 -1.51 0.00 0.00 37.83 36.50 3cal s LYS 85 CO 0.13 -0.10 1.02 -0.25 -0.36 0.00 0.00 175.35 175.78 3cal n ASP 86 N 3.25 -5.05 -1.11 1.43 8.00 -1.26 -1.44 116.55 120.37 3cal n ASP 86 Ca -0.16 -0.74 -0.14 0.00 0.71 0.00 0.00 54.79 54.45 3cal n ASP 86 Cb 0.56 -4.06 -0.06 0.00 -0.02 0.00 0.00 41.12 37.55 3cal n ASP 86 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3cal n SER 87 N -2.86 -4.73 -4.24 -2.24 7.64 -1.26 -4.98 113.62 100.94 3cal n SER 87 Ca 0.04 0.35 -0.14 0.00 1.01 0.00 0.00 58.87 60.13 3cal n SER 87 Cb 0.53 -3.50 -0.10 0.00 -1.01 0.00 0.00 64.21 60.13 3cal n SER 87 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3cal s MET 88 N -3.24 1.05 -0.31 1.43 -1.94 -0.52 -4.83 119.30 110.94 3cal s MET 88 Ca 0.00 -1.46 -0.14 0.00 -1.71 0.00 0.00 55.69 52.38 3cal s MET 88 Cb 0.00 -0.54 -0.03 0.00 2.01 0.00 0.00 34.83 36.28 3cal s MET 88 CO 0.00 0.03 0.31 0.42 -0.01 0.00 0.00 175.02 175.77 3cal s ILE 89 N -3.40 5.22 -0.13 2.53 1.01 -1.26 -1.51 121.20 123.65 3cal s ILE 89 Ca 0.17 0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.94 3cal s ILE 89 Cb 0.03 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 3cal s ILE 89 CO 0.01 0.06 0.12 0.26 0.00 0.00 0.00 174.94 175.39 3cal s TRP 90 N 1.94 3.50 -0.44 3.97 0.52 0.69 -4.72 118.94 124.40 3cal s TRP 90 Ca 0.11 0.43 -0.22 0.00 0.02 0.00 0.00 56.10 56.43 3cal s TRP 90 Cb -0.16 -1.97 0.02 0.00 -1.15 0.00 0.00 33.47 30.21 3cal s TRP 90 CO 0.11 0.59 0.74 -0.51 0.02 0.00 0.00 176.95 177.90 3cal s ASP 91 N -0.68 6.39 0.08 2.95 1.01 -0.08 -0.57 116.67 125.78 3cal s ASP 91 Ca 0.13 -0.14 0.04 0.00 0.71 0.00 0.00 52.55 53.29 3cal s ASP 91 Cb -0.12 -2.37 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 3cal s ASP 91 CO 0.02 -0.86 0.02 0.00 0.21 0.00 0.00 175.17 174.56 3cal s THR 93 N -1.31 1.09 -0.48 0.00 2.01 0.49 -1.32 115.64 116.12 3cal s THR 93 Ca 0.26 -0.47 -0.28 0.00 0.31 0.00 0.00 61.69 61.51 3cal s THR 93 Cb -0.12 -0.99 0.03 0.00 0.01 0.00 0.00 72.50 71.43 3cal s THR 93 CO 0.18 0.34 1.08 0.00 -0.69 0.00 0.00 174.62 175.54 3cal h ILE 95 N 6.19 1.16 0.00 0.00 1.08 -0.38 0.07 117.51 125.64 3cal h ILE 95 Ca -0.23 -2.46 0.00 0.00 -0.39 0.00 0.00 64.86 61.78 3cal h ILE 95 Cb 1.06 2.86 0.00 0.00 -3.07 0.00 0.00 36.82 37.68 3cal h ILE 95 CO 1.10 0.72 0.00 0.61 -0.69 0.00 0.00 178.15 179.90 3cal n GLY 96 N 1.73 1.27 2.41 5.37 0.00 -0.58 -4.78 105.19 110.61 3cal n GLY 96 Ca -0.22 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.21 3cal n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cal n ALA 97 N 1.71 -0.69 -1.12 4.61 0.00 -1.26 -1.26 120.51 122.50 3cal n ALA 97 Ca 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 53.44 53.53 3cal n ALA 97 Cb 0.00 -1.69 -0.02 0.00 0.00 0.00 0.00 19.45 17.75 3cal n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cal n GLY 98 N -0.82 0.60 0.14 0.00 0.00 -1.26 -4.80 105.19 99.06 3cal n GLY 98 Ca -0.17 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3cal n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cal n ARG 99 N -1.46 0.24 -2.36 1.61 5.12 -0.57 -5.01 116.66 114.25 3cal n ARG 99 Ca -0.04 -0.77 -0.21 0.00 -1.93 0.00 0.00 57.85 54.90 3cal n ARG 99 Cb 0.32 -0.56 -0.01 0.00 -1.16 0.00 0.00 32.46 31.04 3cal n ARG 99 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3cal n GLY 100 N -0.08 -0.36 3.74 -0.13 0.00 -0.88 -4.88 105.19 102.60 3cal n GLY 100 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3cal n GLY 100 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cal s ARG 101 N -4.98 4.51 -0.07 1.61 3.52 -0.39 -4.51 118.95 118.64 3cal s ARG 101 Ca 0.00 1.89 0.03 0.00 -0.13 0.00 0.00 55.73 57.52 3cal s ARG 101 Cb 0.00 -3.22 0.01 0.00 -1.56 0.00 0.00 34.95 30.18 3cal s ARG 101 CO 0.00 -0.04 -0.14 0.42 -0.81 0.00 0.00 175.30 174.72 3cal s ILE 102 N -0.32 1.31 -0.18 4.11 1.01 -1.26 0.41 121.20 126.27 3cal s ILE 102 Ca 0.51 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 60.52 3cal s ILE 102 Cb -0.33 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 3cal s ILE 102 CO 0.39 0.39 0.05 -0.55 0.00 0.00 0.00 174.94 175.22 3cal s SER 103 N 0.63 5.48 0.04 3.58 0.15 -0.60 -4.95 113.70 118.03 3cal s SER 103 Ca -0.15 0.04 0.06 0.00 0.70 0.00 0.00 55.95 56.60 3cal s SER 103 Cb -0.16 -1.93 -0.02 0.00 -1.71 0.00 0.00 66.02 62.19 3cal s SER 103 CO 0.04 0.17 -0.18 0.00 1.20 0.00 0.00 173.24 174.47 3cal s THR 105 N -0.79 0.04 -1.79 0.00 -1.32 -0.41 -4.95 115.64 106.42 3cal s THR 105 Ca 0.05 -0.36 0.20 0.00 -1.21 0.00 0.00 61.69 60.37 3cal s THR 105 Cb -0.08 -0.35 0.52 0.00 -1.51 0.00 0.00 72.50 71.09 3cal s THR 105 CO 0.01 -0.20 1.44 2.30 -2.21 0.00 0.00 174.62 175.97 3cal n ILE 106 N 2.18 0.90 0.26 5.08 -5.35 -1.26 -0.90 119.36 120.27 3cal n ILE 106 Ca -0.18 -0.95 0.14 0.00 -0.27 0.00 0.00 62.75 61.49 3cal n ILE 106 Cb 0.57 0.59 0.69 0.00 -1.74 0.00 0.00 39.64 39.75 3cal n ILE 106 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3cal h ALA 107 N 3.76 1.12 -0.43 -1.28 0.00 -1.92 -2.85 119.26 117.66 3cal h ALA 107 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3cal h ALA 107 Cb 0.92 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3cal h ALA 107 CO 0.00 0.14 0.00 0.09 0.00 0.00 0.00 179.25 179.48 3cal n ASN 108 N -3.39 4.44 -4.17 0.00 4.13 -1.26 -1.10 115.26 113.92 3cal n ASN 108 Ca -0.01 -2.78 -0.10 0.00 1.68 0.00 0.00 54.58 53.37 3cal n ASN 108 Cb 0.29 -0.55 -0.10 0.00 -1.54 0.00 0.00 39.78 37.88 3cal n ASN 108 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3cal s ARG 109 N -2.43 0.85 -0.05 3.52 0.52 -1.07 -4.12 118.95 116.17 3cal s ARG 109 Ca 0.45 -1.36 0.05 0.00 -0.52 0.00 0.00 55.73 54.36 3cal s ARG 109 Cb 0.33 -0.11 -0.02 0.00 0.52 0.00 0.00 34.95 35.67 3cal s ARG 109 CO 0.14 -0.07 -0.21 0.00 0.02 0.00 0.00 175.30 175.19 3cal s HIS 111 N -0.44 2.24 -0.06 0.00 3.76 -1.26 -0.37 115.29 119.16 3cal s HIS 111 Ca 0.05 -1.51 -0.04 0.00 -0.15 0.00 0.00 55.06 53.41 3cal s HIS 111 Cb -0.12 -1.54 0.03 0.00 1.11 0.00 0.00 32.58 32.05 3cal s HIS 111 CO 0.01 -0.72 0.14 -2.00 -0.85 0.00 0.00 174.74 171.32 3cal s GLU 112 N 1.45 0.12 -1.72 1.40 -6.30 -0.95 -4.87 118.70 107.83 3cal s GLU 112 Ca -0.02 0.28 0.00 0.00 -2.50 0.00 0.00 54.97 52.73 3cal s GLU 112 Cb -0.17 -0.07 0.00 0.00 0.00 0.00 0.00 34.13 33.90 3cal s GLU 112 CO -0.08 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.52 3cal n GLY 113 N 3.67 0.71 2.62 -1.50 0.00 -1.26 -1.68 105.19 107.75 3cal n GLY 113 Ca -0.20 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3cal n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cal n GLY 114 N -0.89 0.83 3.84 -0.02 0.00 -1.26 -5.04 105.19 102.65 3cal n GLY 114 Ca -0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 3cal n GLY 114 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cal s GLN 115 N -0.02 2.84 -0.12 1.61 -1.52 -0.68 -5.00 119.66 116.78 3cal s GLN 115 Ca 0.00 -1.16 -0.00 0.00 -1.95 0.00 0.00 55.36 52.25 3cal s GLN 115 Cb 0.00 -2.53 -0.02 0.00 -0.22 0.00 0.00 33.01 30.24 3cal s GLN 115 CO 0.00 0.26 -0.13 0.45 -0.25 0.00 0.00 175.29 175.62 3cal s SER 116 N -3.92 4.07 0.13 5.90 0.15 -1.26 -2.24 113.70 116.52 3cal s SER 116 Ca 0.37 -0.30 0.08 0.00 0.70 0.00 0.00 55.95 56.80 3cal s SER 116 Cb -0.07 -1.55 -0.04 0.00 -1.71 0.00 0.00 66.02 62.65 3cal s SER 116 CO 0.26 0.18 -0.19 -0.31 1.20 0.00 0.00 173.24 174.39 3cal s TYR 117 N 0.24 1.72 0.25 3.44 2.02 0.50 -4.99 117.35 120.53 3cal s TYR 117 Ca -0.08 -0.46 0.03 0.00 -0.37 0.00 0.00 57.07 56.19 3cal s TYR 117 Cb -0.15 -0.90 -0.03 0.00 -0.40 0.00 0.00 41.96 40.47 3cal s TYR 117 CO 0.05 0.24 0.39 0.15 -1.57 0.00 0.00 175.55 174.81 3cal s LYS 118 N -2.34 3.46 0.06 -0.62 3.01 -1.26 -1.29 119.74 120.75 3cal s LYS 118 Ca 0.10 -0.62 -0.35 0.00 -1.01 0.00 0.00 55.97 54.10 3cal s LYS 118 Cb -0.08 -2.85 -0.14 0.00 -1.01 0.00 0.00 37.83 33.76 3cal s LYS 118 CO 0.05 0.39 1.65 -0.89 0.51 0.00 0.00 175.35 177.05 3cal n ILE 119 N -1.30 0.19 0.00 2.17 5.41 -1.26 -1.06 119.36 123.51 3cal n ILE 119 Ca -0.08 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.64 3cal n ILE 119 Cb 0.56 -1.55 0.00 0.00 -0.71 0.00 0.00 39.64 37.94 3cal n ILE 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3cal n GLY 120 N 3.65 3.43 3.51 7.39 0.00 0.10 -5.00 105.19 118.27 3cal n GLY 120 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3cal n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cal n ASP 121 N 0.00 -1.05 -3.88 1.61 8.00 -0.22 -4.76 116.55 116.24 3cal n ASP 121 Ca 0.00 0.41 -0.11 0.00 0.71 0.00 0.00 54.79 55.80 3cal n ASP 121 Cb 0.00 -1.31 -0.12 0.00 -0.02 0.00 0.00 41.12 39.68 3cal n ASP 121 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3cal s THR 122 N -2.36 0.05 0.20 -3.53 -4.23 -1.26 -1.93 115.64 102.58 3cal s THR 122 Ca 0.62 -0.40 -0.03 0.00 -1.18 0.00 0.00 61.69 60.71 3cal s THR 122 Cb -0.24 -0.24 -0.04 0.00 1.34 0.00 0.00 72.50 73.33 3cal s THR 122 CO 0.62 -0.22 0.17 -1.66 -0.54 0.00 0.00 174.62 172.99 3cal s TRP 123 N -0.69 1.03 0.08 3.99 -2.14 -1.11 -4.97 118.94 115.13 3cal s TRP 123 Ca -0.08 -1.28 0.07 0.00 2.66 0.00 0.00 56.10 57.48 3cal s TRP 123 Cb -0.05 -0.46 -0.03 0.00 -3.10 0.00 0.00 33.47 29.84 3cal s TRP 123 CO 0.00 -0.67 -0.19 1.03 -2.66 0.00 0.00 176.95 174.46 3cal s ARG 124 N -4.13 1.12 0.07 3.25 0.52 -1.26 -1.28 118.95 117.25 3cal s ARG 124 Ca 0.35 -1.03 -0.21 0.00 -0.52 0.00 0.00 55.73 54.33 3cal s ARG 124 Cb 0.06 -1.29 0.05 0.00 0.52 0.00 0.00 34.95 34.29 3cal s ARG 124 CO 0.11 0.31 0.49 -0.98 0.02 0.00 0.00 175.30 175.25 3cal s ARG 125 N -1.61 1.05 1.22 3.54 1.70 -0.87 -5.00 118.95 118.98 3cal s ARG 125 Ca 0.05 -0.37 -0.20 0.00 -0.47 0.00 0.00 55.73 54.74 3cal s ARG 125 Cb -0.09 0.48 0.30 0.00 -0.57 0.00 0.00 34.95 35.06 3cal s ARG 125 CO 0.03 -0.39 1.13 -2.14 -1.08 0.00 0.00 175.30 172.85 3cal s PRO 126 N -2.86 -1.34 0.56 3.89 0.02 -1.26 0.61 135.00 134.62 3cal s PRO 126 Ca -0.03 -0.20 0.05 0.00 0.02 0.00 0.00 61.00 60.84 3cal s PRO 126 Cb -0.00 -1.59 0.05 0.00 0.02 0.00 0.00 34.50 32.98 3cal s PRO 126 CO -0.05 -3.76 0.45 1.58 -0.33 0.00 0.00 177.00 174.89 3cal n HIS 127 N -4.77 -0.72 0.71 6.54 -0.00 -1.02 -4.60 115.22 111.37 3cal n HIS 127 Ca 0.15 -2.34 0.00 0.00 0.46 0.00 0.00 57.72 55.99 3cal n HIS 127 Cb 0.60 -0.46 0.00 0.00 -0.12 0.00 0.00 29.99 30.00 3cal n HIS 127 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 3cal n GLU 128 N -1.84 0.43 0.00 1.57 1.02 -1.26 -4.96 120.64 115.60 3cal n GLU 128 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3cal n GLU 128 Cb 0.63 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.98 3cal n GLU 128 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cal n GLY 131 N 0.05 0.52 3.37 0.62 0.00 -1.26 -5.30 105.19 103.19 3cal n GLY 131 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3cal n GLY 131 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3cal s TYR 132 N 0.00 1.70 0.04 1.61 -0.85 -1.26 -5.15 117.35 113.44 3cal s TYR 132 Ca 0.00 -1.05 -0.07 0.00 -0.52 0.00 0.00 57.07 55.43 3cal s TYR 132 Cb 0.00 -1.04 -0.05 0.00 0.38 0.00 0.00 41.96 41.25 3cal s TYR 132 CO 0.00 -0.15 0.32 1.41 -1.52 0.00 0.00 175.55 175.61 3cal s MET 133 N -3.95 3.64 -0.00 -3.49 -2.45 -1.26 -2.44 119.30 109.35 3cal s MET 133 Ca 0.35 -0.00 0.00 0.00 -1.25 0.00 0.00 55.69 54.79 3cal s MET 133 Cb 0.08 -3.03 -0.04 0.00 1.25 0.00 0.00 34.83 33.09 3cal s MET 133 CO 0.13 0.60 0.05 -0.51 1.05 0.00 0.00 175.02 176.35 3cal s LEU 134 N -1.90 3.77 -0.16 4.11 1.43 0.20 0.71 118.68 126.84 3cal s LEU 134 Ca 0.31 0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 53.48 3cal s LEU 134 Cb -0.13 -2.18 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 3cal s LEU 134 CO 0.18 0.28 -0.07 -1.83 0.23 0.00 0.00 176.35 175.14 3cal s GLU 135 N -1.67 3.53 0.03 1.70 1.03 0.14 -2.04 118.70 121.42 3cal s GLU 135 Ca 0.22 -0.59 0.05 0.00 0.03 0.00 0.00 54.97 54.67 3cal s GLU 135 Cb -0.12 -2.85 -0.03 0.00 -0.80 0.00 0.00 34.13 30.33 3cal s GLU 135 CO 0.12 0.15 -0.10 0.00 -1.33 0.00 0.00 175.26 174.10 3cal s VAL 137 N -1.03 1.26 -0.43 0.00 0.11 0.30 -2.73 120.40 117.88 3cal s VAL 137 Ca 0.18 -0.67 -0.24 0.00 -2.93 0.00 0.00 61.98 58.31 3cal s VAL 137 Cb -0.11 -1.06 0.02 0.00 -1.53 0.00 0.00 36.38 33.71 3cal s VAL 137 CO 0.08 0.36 0.84 0.00 -3.33 0.00 0.00 175.10 173.05 3cal n LEU 139 N 6.79 2.45 0.00 0.00 4.32 0.12 0.02 117.00 130.71 3cal n LEU 139 Ca 0.04 0.22 0.00 0.00 -0.02 0.00 0.00 56.01 56.25 3cal n LEU 139 Cb 0.48 -1.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.25 3cal n LEU 139 CO 0.59 0.71 0.00 0.61 -1.22 0.00 0.00 177.39 178.08 3cal n GLY 140 N 1.84 1.62 2.59 -0.72 0.00 0.00 -4.82 105.19 105.71 3cal n GLY 140 Ca -0.36 -0.33 -0.18 0.00 0.00 0.00 0.00 46.02 45.15 3cal n GLY 140 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cal n ASN 141 N 4.59 -5.04 0.00 1.61 3.02 -1.26 -0.91 115.26 117.26 3cal n ASN 141 Ca 0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 3cal n ASN 141 Cb 0.00 -4.19 0.00 0.00 -0.61 0.00 0.00 39.78 34.98 3cal n ASN 141 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cal n GLY 142 N -1.03 0.59 1.16 7.41 0.00 -1.26 -4.82 105.19 107.24 3cal n GLY 142 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 3cal n GLY 142 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3cal n LYS 143 N -2.44 0.00 -3.22 1.61 2.85 -0.60 -4.86 118.16 111.50 3cal n LYS 143 Ca 0.00 -1.33 -0.23 0.00 -1.05 0.00 0.00 58.31 55.70 3cal n LYS 143 Cb 0.03 0.29 0.03 0.00 -0.65 0.00 0.00 35.03 34.73 3cal n LYS 143 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3cal n GLY 144 N 0.18 -0.51 3.72 2.58 0.00 -0.25 -4.90 105.19 106.00 3cal n GLY 144 Ca -0.15 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3cal n GLY 144 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cal s GLU 145 N -5.90 4.46 0.10 1.61 2.12 -0.09 -4.57 118.70 116.43 3cal s GLU 145 Ca 0.38 1.76 0.04 0.00 0.36 0.00 0.00 54.97 57.51 3cal s GLU 145 Cb -0.18 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 3cal s GLU 145 CO 0.46 -0.20 -0.10 1.67 -0.54 0.00 0.00 175.26 176.55 3cal s TRP 146 N 0.82 1.11 0.02 5.30 1.48 -1.26 -0.70 118.94 125.71 3cal s TRP 146 Ca 0.57 -0.66 0.02 0.00 -1.06 0.00 0.00 56.10 54.98 3cal s TRP 146 Cb -0.29 -0.60 -0.01 0.00 -1.16 0.00 0.00 33.47 31.40 3cal s TRP 146 CO 0.30 0.02 -0.08 0.99 -4.06 0.00 0.00 176.95 174.13 3cal s THR 147 N -2.50 0.59 -0.05 0.66 2.01 -0.77 -4.97 115.64 110.61 3cal s THR 147 Ca 0.07 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.42 3cal s THR 147 Cb -0.02 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 71.92 3cal s THR 147 CO 0.00 -0.08 -0.14 0.00 -0.69 0.00 0.00 174.62 173.71 3cal s LYS 149 N 0.28 0.49 0.64 0.00 1.02 -0.81 -4.93 119.74 116.43 3cal s LYS 149 Ca -0.08 -0.81 -0.18 0.00 0.02 0.00 0.00 55.97 54.93 3cal s LYS 149 Cb -0.13 -0.09 -0.01 0.00 -0.52 0.00 0.00 37.83 37.08 3cal s LYS 149 CO 0.03 -0.01 1.25 -2.14 -0.92 0.00 0.00 175.35 173.56 3cal s PRO 150 N -1.98 2.65 0.00 -1.68 0.02 -1.26 -0.69 135.00 132.06 3cal s PRO 150 Ca -0.08 1.93 0.00 0.00 0.02 0.00 0.00 61.00 62.86 3cal s PRO 150 Cb -0.07 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.58 3cal s PRO 150 CO -0.02 -1.48 0.00 0.44 -0.33 0.00 0.00 177.00 175.61