#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 4.56 0.13 3.44 2.12 -1.26 -5.02 118.70 122.67 3cal s GLU 64 Ca 0.00 1.67 0.00 0.00 0.36 0.00 0.00 54.97 57.00 3cal s GLU 64 Cb 0.00 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 3cal s GLU 64 CO 0.00 -0.01 0.01 0.95 -0.54 0.00 0.00 175.26 175.67 3cal s THR 65 N 0.25 0.40 0.02 -1.70 -4.23 -1.26 -3.94 115.64 105.19 3cal s THR 65 Ca 0.52 -1.93 0.05 0.00 -1.18 0.00 0.00 61.69 59.15 3cal s THR 65 Cb -0.28 -1.96 -0.03 0.00 1.34 0.00 0.00 72.50 71.57 3cal s THR 65 CO 0.32 -0.59 -0.13 0.00 -0.54 0.00 0.00 174.62 173.68 3cal s PHE 67 N -0.95 2.78 -0.31 0.00 5.36 -1.26 -0.39 117.98 123.21 3cal s PHE 67 Ca 0.16 -0.92 -0.05 0.00 -0.96 0.00 0.00 56.93 55.15 3cal s PHE 67 Cb -0.11 -1.87 0.03 0.00 -0.34 0.00 0.00 43.02 40.73 3cal s PHE 67 CO 0.06 -0.40 0.07 0.34 -1.46 0.00 0.00 175.22 173.83 3cal s ASP 68 N 0.67 5.11 0.52 6.13 -1.08 -0.72 -4.97 116.67 122.33 3cal s ASP 68 Ca -0.07 -1.02 0.30 0.00 -0.52 0.00 0.00 52.55 51.24 3cal s ASP 68 Cb -0.16 -1.83 1.34 0.00 -1.46 0.00 0.00 42.92 40.81 3cal s ASP 68 CO 0.02 -0.26 1.99 0.07 0.52 0.00 0.00 175.17 177.50 3cal h LYS 69 N 8.17 0.00 -0.06 4.34 2.10 -1.94 0.32 116.57 129.50 3cal h LYS 69 Ca -0.26 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.23 3cal h LYS 69 Cb 1.09 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.41 3cal h LYS 69 CO 0.59 0.09 -0.68 1.88 -2.00 0.00 0.00 179.45 179.33 3cal h TYR 70 N 0.00 0.37 0.00 0.07 -1.99 -1.93 -3.20 116.97 110.30 3cal h TYR 70 Ca -0.00 -0.16 0.00 0.00 2.00 0.00 0.00 58.73 60.57 3cal h TYR 70 Cb 0.51 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.18 3cal h TYR 70 CO 0.00 0.88 -1.57 0.25 -0.00 0.00 0.00 178.16 177.72 3cal n THR 71 N -3.83 0.03 -1.23 -2.88 -2.24 -1.01 -4.67 114.28 98.45 3cal n THR 71 Ca -0.03 -0.31 -0.08 0.00 -2.27 0.00 0.00 64.05 61.36 3cal n THR 71 Cb 0.67 0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 69.21 3cal n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cal n GLY 72 N 1.35 0.89 3.78 3.38 0.00 0.11 -5.02 105.19 109.68 3cal n GLY 72 Ca -0.01 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.48 5.40 -0.17 1.61 0.02 -1.16 -4.93 114.94 113.24 3cal s ASN 73 Ca 0.00 -0.18 -0.05 0.00 -1.02 0.00 0.00 52.86 51.60 3cal s ASN 73 Cb 0.00 -1.37 -0.03 0.00 0.02 0.00 0.00 41.25 39.87 3cal s ASN 73 CO 0.00 0.06 0.01 -0.89 0.02 0.00 0.00 177.10 176.31 3cal s THR 74 N -1.78 4.35 0.22 1.60 2.01 -1.26 -1.76 115.64 119.01 3cal s THR 74 Ca 0.31 -0.19 0.11 0.00 0.31 0.00 0.00 61.69 62.22 3cal s THR 74 Cb -0.10 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 3cal s THR 74 CO 0.23 0.48 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.17 3cal s TYR 75 N 0.32 2.45 0.44 4.92 2.02 0.48 -4.96 117.35 123.02 3cal s TYR 75 Ca -0.00 -0.29 -0.01 0.00 -0.37 0.00 0.00 57.07 56.40 3cal s TYR 75 Cb -0.13 -1.16 -0.01 0.00 -0.40 0.00 0.00 41.96 40.25 3cal s TYR 75 CO 0.01 0.56 0.67 1.03 -1.57 0.00 0.00 175.55 176.26 3cal s ARG 76 N -3.01 3.23 0.16 -0.62 1.81 -1.26 -1.06 118.95 118.18 3cal s ARG 76 Ca 0.25 -0.33 -0.33 0.00 -1.72 0.00 0.00 55.73 53.60 3cal s ARG 76 Cb -0.07 -2.55 -0.13 0.00 -0.45 0.00 0.00 34.95 31.75 3cal s ARG 76 CO 0.14 -0.18 1.65 0.28 -0.68 0.00 0.00 175.30 176.50 3cal n VAL 77 N -2.06 0.06 -0.03 3.52 0.31 -1.25 -1.88 118.33 117.00 3cal n VAL 77 Ca -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3cal n VAL 77 Cb 0.57 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 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 3.65 1.19 3.77 2.92 0.00 0.10 -5.02 105.19 111.80 3cal n GLY 78 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.83 6.72 0.14 1.61 1.01 -0.79 -4.79 116.67 117.75 3cal s ASP 79 Ca 0.00 2.63 0.09 0.00 0.71 0.00 0.00 52.55 55.98 3cal s ASP 79 Cb 0.00 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 3cal s ASP 79 CO 0.00 -0.56 -0.15 0.42 0.21 0.00 0.00 175.17 175.09 3cal s THR 80 N -1.18 2.95 0.11 -1.27 -4.23 -1.26 -0.69 115.64 110.07 3cal s THR 80 Ca 0.50 -1.59 -0.25 0.00 -1.18 0.00 0.00 61.69 59.17 3cal s THR 80 Cb -0.38 -2.40 0.07 0.00 1.34 0.00 0.00 72.50 71.13 3cal s THR 80 CO 0.50 0.01 0.80 -0.72 -0.54 0.00 0.00 174.62 174.67 3cal s TYR 81 N -1.38 -0.34 -0.08 3.99 -0.85 -0.49 -5.01 117.35 113.19 3cal s TYR 81 Ca 0.21 0.10 -0.13 0.00 -0.52 0.00 0.00 57.07 56.73 3cal s TYR 81 Cb -0.10 0.59 -0.05 0.00 0.38 0.00 0.00 41.96 42.78 3cal s TYR 81 CO 0.12 -0.78 0.33 -1.21 -1.52 0.00 0.00 175.55 172.49 3cal s GLU 82 N -3.44 3.96 -0.10 -3.49 2.02 -1.26 -0.68 118.70 115.72 3cal s GLU 82 Ca 0.06 0.22 0.04 0.00 0.02 0.00 0.00 54.97 55.31 3cal s GLU 82 Cb -0.02 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.92 3cal s GLU 82 CO -0.06 0.53 -0.23 0.50 0.02 0.00 0.00 175.26 176.03 3cal s ARG 83 N -0.48 2.91 -0.14 1.61 3.52 0.04 -4.93 118.95 121.49 3cal s ARG 83 Ca 0.20 -0.83 -0.26 0.00 -0.13 0.00 0.00 55.73 54.71 3cal s ARG 83 Cb -0.15 -2.23 -0.02 0.00 -1.56 0.00 0.00 34.95 31.00 3cal s ARG 83 CO 0.09 0.14 0.88 -1.25 -0.81 0.00 0.00 175.30 174.35 3cal s PRO 84 N 0.43 4.35 -0.27 5.12 0.04 -1.26 -0.17 135.00 143.24 3cal s PRO 84 Ca -0.17 1.13 -0.25 0.00 0.04 0.00 0.00 61.00 61.74 3cal s PRO 84 Cb -0.18 -3.55 0.10 0.00 0.04 0.00 0.00 34.50 30.91 3cal s PRO 84 CO 0.07 -0.30 0.91 0.21 0.04 0.00 0.00 177.00 177.94 3cal s LYS 85 N 2.01 0.64 -1.51 4.56 2.20 -0.74 -4.84 119.74 122.06 3cal s LYS 85 Ca 0.41 0.73 -0.05 0.00 -0.36 0.00 0.00 55.97 56.70 3cal s LYS 85 Cb -0.17 0.31 0.02 0.00 -1.51 0.00 0.00 37.83 36.48 3cal s LYS 85 CO 0.14 -0.08 0.53 -0.25 -0.36 0.00 0.00 175.35 175.33 3cal n ASP 86 N 2.32 -5.59 -0.99 1.43 8.00 -1.26 -1.39 116.55 119.07 3cal n ASP 86 Ca -0.13 -0.28 -0.13 0.00 0.71 0.00 0.00 54.79 54.96 3cal n ASP 86 Cb 0.56 -4.54 -0.06 0.00 -0.02 0.00 0.00 41.12 37.06 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 -2.43 -4.78 -4.32 -2.24 7.64 -1.26 -4.99 113.62 101.25 3cal n SER 87 Ca -0.10 0.32 -0.17 0.00 1.01 0.00 0.00 58.87 59.93 3cal n SER 87 Cb 0.61 -3.42 -0.10 0.00 -1.01 0.00 0.00 64.21 60.29 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 -3.03 1.30 -0.24 1.43 -1.94 -0.49 -4.83 119.30 111.50 3cal s MET 88 Ca 0.00 -1.65 -0.08 0.00 -1.71 0.00 0.00 55.69 52.24 3cal s MET 88 Cb 0.00 -0.58 -0.04 0.00 2.01 0.00 0.00 34.83 36.22 3cal s MET 88 CO 0.00 -0.09 0.10 0.42 -0.01 0.00 0.00 175.02 175.44 3cal s ILE 89 N -3.44 4.71 -0.07 2.53 1.01 -1.26 -1.79 121.20 122.89 3cal s ILE 89 Ca 0.28 -0.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.85 3cal s ILE 89 Cb 0.06 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 3cal s ILE 89 CO 0.08 0.34 0.07 0.26 0.00 0.00 0.00 174.94 175.70 3cal s TRP 90 N 1.34 3.34 -0.43 3.97 0.52 0.76 -4.72 118.94 123.72 3cal s TRP 90 Ca 0.06 0.30 -0.22 0.00 0.02 0.00 0.00 56.10 56.25 3cal s TRP 90 Cb -0.15 -1.81 0.02 0.00 -1.15 0.00 0.00 33.47 30.38 3cal s TRP 90 CO 0.05 0.58 0.74 -0.51 0.02 0.00 0.00 176.95 177.82 3cal s ASP 91 N -1.24 6.40 0.17 2.95 1.01 0.67 -0.78 116.67 125.86 3cal s ASP 91 Ca 0.17 -0.10 0.07 0.00 0.71 0.00 0.00 52.55 53.41 3cal s ASP 91 Cb -0.12 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 3cal s ASP 91 CO 0.07 -0.83 -0.01 0.00 0.21 0.00 0.00 175.17 174.60 3cal s THR 93 N -1.72 0.60 -0.51 0.00 2.01 0.41 -1.40 115.64 115.03 3cal s THR 93 Ca 0.27 -0.23 -0.29 0.00 0.31 0.00 0.00 61.69 61.75 3cal s THR 93 Cb -0.09 -0.57 0.03 0.00 0.01 0.00 0.00 72.50 71.87 3cal s THR 93 CO 0.18 0.21 1.21 0.00 -0.69 0.00 0.00 174.62 175.53 3cal h ILE 95 N 6.25 1.22 0.00 0.00 1.08 -1.08 0.29 117.51 125.27 3cal h ILE 95 Ca -0.24 -2.39 0.00 0.00 -0.39 0.00 0.00 64.86 61.84 3cal h ILE 95 Cb 1.07 2.84 0.00 0.00 -3.07 0.00 0.00 36.82 37.66 3cal h ILE 95 CO 1.15 0.64 0.00 0.61 -0.69 0.00 0.00 178.15 179.86 3cal n GLY 96 N 1.66 1.01 2.41 5.37 0.00 -0.40 -4.73 105.19 110.51 3cal n GLY 96 Ca -0.22 -0.55 -0.18 0.00 0.00 0.00 0.00 46.02 45.08 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 1.42 -0.61 -0.89 4.61 0.00 -1.26 -1.22 120.51 122.56 3cal n ALA 97 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3cal n ALA 97 Cb 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 17.52 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 -0.84 0.29 0.00 0.00 0.00 -1.26 -4.78 105.19 98.61 3cal n GLY 98 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.20 0.89 -2.51 1.61 5.12 -0.53 -4.99 116.66 115.06 3cal n ARG 99 Ca 0.00 -0.81 -0.15 0.00 -1.93 0.00 0.00 57.85 54.96 3cal n ARG 99 Cb 0.18 -0.65 0.01 0.00 -1.16 0.00 0.00 32.46 30.83 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 -0.15 -0.20 3.73 -0.13 0.00 -0.99 -4.89 105.19 102.56 3cal n GLY 100 Ca 0.00 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 -5.00 4.55 -0.05 1.61 3.52 -0.36 -4.61 118.95 118.61 3cal s ARG 101 Ca 0.10 1.76 0.04 0.00 -0.13 0.00 0.00 55.73 57.49 3cal s ARG 101 Cb -0.04 -3.28 -0.00 0.00 -1.56 0.00 0.00 34.95 30.07 3cal s ARG 101 CO 0.12 -0.00 -0.18 0.42 -0.81 0.00 0.00 175.30 174.85 3cal s ILE 102 N -0.03 1.50 -0.17 4.11 1.01 -1.26 -0.43 121.20 125.92 3cal s ILE 102 Ca 0.51 -0.74 -0.04 0.00 0.00 0.00 0.00 60.65 60.38 3cal s ILE 102 Cb -0.30 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 3cal s ILE 102 CO 0.35 0.43 -0.02 -0.55 0.00 0.00 0.00 174.94 175.14 3cal s SER 103 N 0.15 4.82 0.08 3.58 0.15 -0.82 -4.96 113.70 116.69 3cal s SER 103 Ca -0.07 -0.15 0.06 0.00 0.70 0.00 0.00 55.95 56.49 3cal s SER 103 Cb -0.13 -1.80 -0.03 0.00 -1.71 0.00 0.00 66.02 62.35 3cal s SER 103 CO 0.03 0.14 -0.16 0.00 1.20 0.00 0.00 173.24 174.45 3cal s THR 105 N -1.24 0.06 -1.69 0.00 -1.32 -0.21 -4.94 115.64 106.29 3cal s THR 105 Ca -0.00 -0.48 0.17 0.00 -1.21 0.00 0.00 61.69 60.17 3cal s THR 105 Cb -0.10 -0.50 0.35 0.00 -1.51 0.00 0.00 72.50 70.74 3cal s THR 105 CO 0.03 -0.26 1.26 2.30 -2.21 0.00 0.00 174.62 175.74 3cal n ILE 106 N 1.63 0.63 0.28 5.08 -5.35 -1.26 -0.24 119.36 120.13 3cal n ILE 106 Ca -0.21 -0.81 0.15 0.00 -0.27 0.00 0.00 62.75 61.61 3cal n ILE 106 Cb 0.56 0.82 0.79 0.00 -1.74 0.00 0.00 39.64 40.07 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 3.21 1.22 -0.43 -1.28 0.00 -1.92 -2.71 119.26 117.35 3cal h ALA 107 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3cal h ALA 107 Cb 0.80 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3cal h ALA 107 CO 0.00 0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.45 3cal n ASN 108 N -3.51 4.69 -4.21 0.00 4.13 -1.26 -0.39 115.26 114.71 3cal n ASN 108 Ca -0.02 -2.90 -0.12 0.00 1.68 0.00 0.00 54.58 53.22 3cal n ASN 108 Cb 0.22 -0.59 -0.10 0.00 -1.54 0.00 0.00 39.78 37.76 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 -2.65 0.98 -0.04 3.52 0.52 -1.02 -4.21 118.95 116.05 3cal s ARG 109 Ca 0.47 -1.43 0.04 0.00 -0.52 0.00 0.00 55.73 54.30 3cal s ARG 109 Cb 0.36 -0.32 -0.03 0.00 0.52 0.00 0.00 34.95 35.48 3cal s ARG 109 CO 0.13 -0.03 -0.15 0.00 0.02 0.00 0.00 175.30 175.27 3cal s HIS 111 N -0.75 2.18 -0.04 0.00 3.76 -1.26 0.06 115.29 119.24 3cal s HIS 111 Ca 0.12 -1.54 -0.07 0.00 -0.15 0.00 0.00 55.06 53.42 3cal s HIS 111 Cb -0.11 -1.50 0.01 0.00 1.11 0.00 0.00 32.58 32.09 3cal s HIS 111 CO 0.01 -0.73 0.16 -2.00 -0.85 0.00 0.00 174.74 171.33 3cal s GLU 112 N 1.47 0.33 -1.27 1.40 -6.30 -0.96 -4.89 118.70 108.49 3cal s GLU 112 Ca -0.04 -0.04 -0.07 0.00 -2.50 0.00 0.00 54.97 52.33 3cal s GLU 112 Cb -0.18 0.15 0.05 0.00 0.00 0.00 0.00 34.13 34.15 3cal s GLU 112 CO -0.07 -0.07 0.41 0.41 0.02 0.00 0.00 175.26 175.97 3cal n GLY 113 N 2.30 -0.49 2.97 -1.50 0.00 -1.26 -1.49 105.19 105.71 3cal n GLY 113 Ca -0.17 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.15 0.70 3.82 -0.02 0.00 -1.26 -5.01 105.19 102.27 3cal n GLY 114 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.26 2.44 -0.08 1.61 -1.52 -0.56 -4.98 119.66 116.31 3cal s GLN 115 Ca 0.00 -1.61 0.04 0.00 -1.95 0.00 0.00 55.36 51.83 3cal s GLN 115 Cb 0.00 -2.25 0.00 0.00 -0.22 0.00 0.00 33.01 30.54 3cal s GLN 115 CO 0.00 -0.13 -0.20 0.45 -0.25 0.00 0.00 175.29 175.17 3cal s SER 116 N -4.03 2.59 0.13 5.90 0.15 -1.26 -2.26 113.70 114.92 3cal s SER 116 Ca 0.45 -0.46 0.07 0.00 0.70 0.00 0.00 55.95 56.71 3cal s SER 116 Cb -0.01 -1.13 -0.04 0.00 -1.71 0.00 0.00 66.02 63.13 3cal s SER 116 CO 0.26 0.12 -0.16 -0.31 1.20 0.00 0.00 173.24 174.36 3cal s TYR 117 N 0.40 1.53 0.36 3.44 2.02 0.11 -4.98 117.35 120.21 3cal s TYR 117 Ca -0.16 -0.52 0.02 0.00 -0.37 0.00 0.00 57.07 56.04 3cal s TYR 117 Cb -0.17 -0.79 -0.02 0.00 -0.40 0.00 0.00 41.96 40.58 3cal s TYR 117 CO 0.06 0.19 0.54 0.15 -1.57 0.00 0.00 175.55 174.93 3cal s LYS 118 N -2.63 3.31 0.22 -0.62 1.02 -1.26 -0.67 119.74 119.12 3cal s LYS 118 Ca 0.10 -0.53 -0.32 0.00 0.02 0.00 0.00 55.97 55.24 3cal s LYS 118 Cb -0.06 -2.69 -0.12 0.00 -0.52 0.00 0.00 37.83 34.44 3cal s LYS 118 CO 0.04 0.06 1.64 -0.89 -0.92 0.00 0.00 175.35 175.29 3cal n ILE 119 N -1.79 0.30 0.00 2.17 5.41 -1.26 -1.51 119.36 122.68 3cal n ILE 119 Ca -0.03 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.64 3cal n ILE 119 Cb 0.57 -1.85 0.00 0.00 -0.71 0.00 0.00 39.64 37.65 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 3.31 2.96 3.74 7.39 0.00 0.30 -5.01 105.19 117.88 3cal n GLY 120 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3cal n GLY 120 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cal s ASP 121 N -1.28 4.92 0.16 1.61 1.01 -0.57 -4.74 116.67 117.78 3cal s ASP 121 Ca 0.00 2.57 0.07 0.00 0.71 0.00 0.00 52.55 55.90 3cal s ASP 121 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 3cal s ASP 121 CO 0.00 -1.79 -0.15 0.42 0.21 0.00 0.00 175.17 173.86 3cal s THR 122 N -1.44 1.54 0.21 -1.27 -4.23 -1.26 -1.10 115.64 108.09 3cal s THR 122 Ca 0.79 -1.94 -0.19 0.00 -1.18 0.00 0.00 61.69 59.17 3cal s THR 122 Cb -0.36 -1.78 0.03 0.00 1.34 0.00 0.00 72.50 71.73 3cal s THR 122 CO 0.39 -0.48 0.57 -1.66 -0.54 0.00 0.00 174.62 172.90 3cal s TRP 123 N -2.47 -0.17 0.05 3.99 -2.14 -0.53 -4.97 118.94 112.70 3cal s TRP 123 Ca 0.15 -0.18 0.05 0.00 2.66 0.00 0.00 56.10 58.78 3cal s TRP 123 Cb -0.03 0.47 -0.04 0.00 -3.10 0.00 0.00 33.47 30.78 3cal s TRP 123 CO 0.05 -0.98 -0.10 1.03 -2.66 0.00 0.00 176.95 174.29 3cal s ARG 124 N -3.87 2.31 -0.22 3.25 1.81 -1.26 -0.16 118.95 120.81 3cal s ARG 124 Ca 0.09 -0.88 -0.20 0.00 -1.72 0.00 0.00 55.73 53.02 3cal s ARG 124 Cb -0.02 -2.37 0.06 0.00 -0.45 0.00 0.00 34.95 32.16 3cal s ARG 124 CO -0.01 0.55 0.58 -0.98 -0.68 0.00 0.00 175.30 174.76 3cal s ARG 125 N -1.74 0.67 0.41 3.54 1.70 -0.73 -4.98 118.95 117.82 3cal s ARG 125 Ca 0.19 0.82 -0.26 0.00 -0.47 0.00 0.00 55.73 56.00 3cal s ARG 125 Cb -0.11 0.31 -0.10 0.00 -0.57 0.00 0.00 34.95 34.48 3cal s ARG 125 CO 0.10 -0.09 1.37 -2.30 -1.08 0.00 0.00 175.30 173.30 3cal n PRO 126 N 2.89 2.21 -1.85 3.89 -0.02 -1.26 0.74 135.00 141.59 3cal n PRO 126 Ca -0.14 0.78 -0.43 0.00 -2.02 0.00 0.00 63.50 61.70 3cal n PRO 126 Cb 0.56 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 3cal n PRO 126 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3cal s HIS 127 N -1.17 1.63 0.00 6.00 2.46 0.11 -4.72 115.29 119.61 3cal s HIS 127 Ca 0.59 0.21 0.00 0.00 0.47 0.00 0.00 55.06 56.32 3cal s HIS 127 Cb -0.49 -4.04 0.00 0.00 -0.13 0.00 0.00 32.58 27.92 3cal s HIS 127 CO 0.60 -4.08 0.81 -0.85 -2.47 0.00 0.00 174.74 168.74 3cal n GLU 128 N 7.83 0.00 0.00 2.88 0.00 -1.26 -4.48 120.64 125.61 3cal n GLU 128 Ca 0.22 -0.34 0.00 0.00 0.00 0.00 0.00 57.16 57.04 3cal n GLU 128 Cb 0.44 -1.80 0.00 0.00 0.00 0.00 0.00 31.44 30.08 3cal n GLU 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3cal n GLY 130 N 3.63 5.46 2.50 -1.84 0.00 -1.26 -5.16 105.19 108.52 3cal n GLY 130 Ca 0.00 -1.15 -0.17 0.00 0.00 0.00 0.00 46.02 44.70 3cal n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cal n GLY 131 N 2.00 1.24 3.21 -0.02 0.00 -1.26 -5.14 105.19 105.21 3cal n GLY 131 Ca 0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 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 0.03 1.02 0.33 1.61 -0.85 -1.26 -4.99 117.35 113.25 3cal s TYR 132 Ca 0.33 -1.29 -0.16 0.00 -0.52 0.00 0.00 57.07 55.42 3cal s TYR 132 Cb 0.12 -0.49 -0.09 0.00 0.38 0.00 0.00 41.96 41.87 3cal s TYR 132 CO -0.15 -0.63 0.77 -1.64 -1.52 0.00 0.00 175.55 172.38 3cal s MET 133 N -4.12 4.06 -0.00 -3.49 -1.94 -1.26 0.10 119.30 112.65 3cal s MET 133 Ca 0.34 0.76 -0.00 0.00 -1.71 0.00 0.00 55.69 55.08 3cal s MET 133 Cb 0.07 -2.43 -0.04 0.00 2.01 0.00 0.00 34.83 34.44 3cal s MET 133 CO 0.09 0.15 0.07 -0.51 -0.01 0.00 0.00 175.02 174.80 3cal s LEU 134 N -2.93 3.83 -0.18 -0.03 1.43 0.23 -2.05 118.68 118.97 3cal s LEU 134 Ca 0.55 0.11 -0.07 0.00 -1.03 0.00 0.00 54.13 53.69 3cal s LEU 134 Cb -0.11 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 3cal s LEU 134 CO 0.17 0.27 0.05 -0.70 0.23 0.00 0.00 176.35 176.37 3cal s GLU 135 N -1.72 3.92 0.07 1.70 2.12 -0.15 -1.77 118.70 122.87 3cal s GLU 135 Ca 0.22 -0.36 0.07 0.00 0.36 0.00 0.00 54.97 55.26 3cal s GLU 135 Cb -0.12 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 3cal s GLU 135 CO 0.13 0.29 -0.15 0.00 -0.54 0.00 0.00 175.26 174.99 3cal s VAL 137 N -1.06 0.74 -0.32 0.00 0.11 0.10 -1.45 120.40 118.52 3cal s VAL 137 Ca 0.17 -0.82 -0.18 0.00 -2.93 0.00 0.00 61.98 58.22 3cal s VAL 137 Cb -0.11 -0.70 -0.01 0.00 -1.53 0.00 0.00 36.38 34.03 3cal s VAL 137 CO 0.09 -0.09 0.51 0.00 -3.33 0.00 0.00 175.10 172.27 3cal n LEU 139 N 5.67 2.46 0.00 0.00 4.77 0.62 -0.54 117.00 129.98 3cal n LEU 139 Ca -0.05 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 3cal n LEU 139 Cb 0.49 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3cal n LEU 139 CO 0.43 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 177.96 3cal n GLY 140 N 2.17 1.76 2.40 -0.72 0.00 -0.39 -4.83 105.19 105.58 3cal n GLY 140 Ca -0.44 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 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 4.83 -3.61 0.00 1.61 3.02 -1.26 -1.08 115.26 118.77 3cal n ASN 141 Ca 0.00 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 3cal n ASN 141 Cb 0.00 -3.11 0.00 0.00 -0.61 0.00 0.00 39.78 36.06 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 -0.73 0.64 1.39 7.41 0.00 -1.26 -4.82 105.19 107.83 3cal n GLY 142 Ca -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.71 0.18 -2.78 1.61 2.85 -0.65 -4.85 118.16 111.80 3cal n LYS 143 Ca 0.00 -1.52 -0.21 0.00 -1.05 0.00 0.00 58.31 55.53 3cal n LYS 143 Cb 0.00 0.20 0.01 0.00 -0.65 0.00 0.00 35.03 34.60 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 0.05 -0.51 3.73 2.58 0.00 0.47 -4.90 105.19 106.60 3cal n GLY 144 Ca -0.13 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -5.45 4.43 0.11 1.61 2.12 -0.24 -4.59 118.70 116.69 3cal s GLU 145 Ca 0.18 1.89 0.03 0.00 0.36 0.00 0.00 54.97 57.43 3cal s GLU 145 Cb -0.08 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 30.99 3cal s GLU 145 CO 0.23 -0.22 -0.07 1.67 -0.54 0.00 0.00 175.26 176.32 3cal s TRP 146 N 0.53 1.01 -0.01 5.30 1.48 -1.26 -0.27 118.94 125.72 3cal s TRP 146 Ca 0.57 -0.87 -0.01 0.00 -1.06 0.00 0.00 56.10 54.73 3cal s TRP 146 Cb -0.33 -0.56 0.00 0.00 -1.16 0.00 0.00 33.47 31.43 3cal s TRP 146 CO 0.33 -0.08 0.02 0.95 -4.06 0.00 0.00 176.95 174.11 3cal s THR 147 N -3.54 0.01 -0.08 0.66 -4.23 -0.77 -4.97 115.64 102.73 3cal s THR 147 Ca 0.14 -0.09 0.04 0.00 -1.18 0.00 0.00 61.69 60.60 3cal s THR 147 Cb 0.04 -0.06 -0.00 0.00 1.34 0.00 0.00 72.50 73.82 3cal s THR 147 CO -0.03 -0.05 -0.22 0.00 -0.54 0.00 0.00 174.62 173.78 3cal s LYS 149 N 0.22 0.61 0.30 0.00 -2.85 -0.52 -4.94 119.74 112.56 3cal s LYS 149 Ca -0.13 -1.05 -0.29 0.00 -1.00 0.00 0.00 55.97 53.51 3cal s LYS 149 Cb -0.16 -0.06 -0.13 0.00 -2.06 0.00 0.00 37.83 35.43 3cal s LYS 149 CO 0.06 -0.03 1.31 -2.30 0.10 0.00 0.00 175.35 174.49 3cal n PRO 150 N 0.63 2.03 0.00 1.78 -0.02 -1.26 -0.98 135.00 137.18 3cal n PRO 150 Ca -0.17 0.72 0.05 0.00 -2.02 0.00 0.00 63.50 62.07 3cal n PRO 150 Cb 0.58 -2.31 0.04 0.00 -0.02 0.00 0.00 33.50 31.80 3cal n PRO 150 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92