#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rck s ALA 3 N 0.00 2.20 -0.17 -0.43 0.00 -1.26 -4.50 121.76 117.60 1rck s ALA 3 Ca 0.00 0.29 -0.15 0.00 0.00 0.00 0.00 51.96 52.10 1rck s ALA 3 Cb 0.00 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 19.88 1rck s ALA 3 CO 0.00 -1.84 0.44 -0.08 0.00 0.00 0.00 175.76 174.28 1rck s THR 4 N -2.89 -0.00 -0.34 0.00 -1.32 -0.99 -4.75 115.64 105.35 1rck s THR 4 Ca 0.62 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 61.10 1rck s THR 4 Cb -0.18 -0.62 0.08 0.00 -1.51 0.00 0.00 72.50 70.28 1rck s THR 4 CO 0.56 0.00 0.07 -0.89 -2.21 0.00 0.00 174.62 172.16 1rck s THR 5 N 0.29 2.82 -1.15 5.08 2.01 -1.26 -1.11 115.64 122.32 1rck s THR 5 Ca -0.00 -1.89 -0.14 0.00 0.31 0.00 0.00 61.69 59.96 1rck s THR 5 Cb -0.03 -2.85 0.17 0.00 0.01 0.00 0.00 72.50 69.80 1rck s THR 5 CO -0.00 -0.43 1.35 0.00 -0.69 0.00 0.00 174.62 174.85 1rck n GLY 7 N 4.29 1.68 0.13 0.00 0.00 -1.26 -2.69 105.19 107.34 1rck n GLY 7 Ca 0.33 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.14 1rck n GLY 7 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1rck h SER 8 N 0.00 0.34 -2.53 1.61 0.87 -1.90 -3.45 113.55 108.50 1rck h SER 8 Ca 0.00 -0.83 -0.55 0.00 -1.23 0.00 0.00 61.79 59.18 1rck h SER 8 Cb 0.00 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 1rck h SER 8 CO 0.00 1.70 1.27 -0.89 -0.53 0.00 0.00 176.83 178.38 1rck s THR 9 N -2.49 3.51 0.46 2.23 2.01 -1.10 -4.99 115.64 115.27 1rck s THR 9 Ca -0.22 0.46 -0.08 0.00 0.31 0.00 0.00 61.69 62.16 1rck s THR 9 Cb 0.06 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 1rck s THR 9 CO 0.74 -0.66 0.80 0.54 -0.69 0.00 0.00 174.62 175.34 1rck s ASN 10 N 6.40 6.36 -0.06 3.53 2.20 -1.26 -1.76 114.94 130.35 1rck s ASN 10 Ca 0.72 1.04 -0.05 0.00 -0.94 0.00 0.00 52.86 53.63 1rck s ASN 10 Cb -0.17 -2.29 0.02 0.00 -2.00 0.00 0.00 41.25 36.81 1rck s ASN 10 CO 0.29 -0.53 0.16 -0.31 -2.94 0.00 0.00 177.10 173.77 1rck s TYR 11 N -2.63 -0.18 0.51 1.54 2.02 -0.27 -4.91 117.35 113.43 1rck s TYR 11 Ca 0.49 0.46 -0.17 0.00 -0.37 0.00 0.00 57.07 57.49 1rck s TYR 11 Cb -0.10 0.02 -0.08 0.00 -0.40 0.00 0.00 41.96 41.40 1rck s TYR 11 CO 0.40 -0.11 0.99 0.45 -1.57 0.00 0.00 175.55 175.70 1rck s SER 12 N 0.44 6.62 0.56 2.29 0.15 -1.26 -2.35 113.70 120.16 1rck s SER 12 Ca -0.03 1.58 0.37 0.00 0.70 0.00 0.00 55.95 58.57 1rck s SER 12 Cb -0.04 -2.51 1.90 0.00 -1.71 0.00 0.00 66.02 63.66 1rck s SER 12 CO -0.02 -0.59 2.14 0.00 1.20 0.00 0.00 173.24 175.97 1rck h ALA 13 N 0.95 1.00 0.16 5.45 0.00 -1.90 0.29 119.26 125.21 1rck h ALA 13 Ca -0.47 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.14 1rck h ALA 13 Cb 1.18 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.00 1rck h ALA 13 CO 0.61 0.00 -1.31 0.77 0.00 0.00 0.00 179.25 179.32 1rck h SER 14 N 0.00 0.78 -0.04 0.00 0.02 -1.92 -2.42 113.55 109.97 1rck h SER 14 Ca 0.00 -0.76 -0.03 0.00 -0.84 0.00 0.00 61.79 60.16 1rck h SER 14 Cb 0.15 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1rck h SER 14 CO 0.00 1.58 -0.08 -0.61 -1.14 0.00 0.00 176.83 176.58 1rck h GLN 15 N 0.20 0.13 -0.37 3.45 4.15 -1.51 -0.50 115.11 120.66 1rck h GLN 15 Ca -0.20 -0.08 0.02 0.00 0.77 0.00 0.00 58.65 59.16 1rck h GLN 15 Cb 1.99 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 29.67 1rck h GLN 15 CO 0.24 0.66 0.21 0.28 -1.93 0.00 0.00 178.83 178.30 1rck h VAL 16 N -0.40 1.03 -0.66 2.39 2.07 -1.14 -1.47 116.25 118.07 1rck h VAL 16 Ca 0.00 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 1rck h VAL 16 Cb 0.66 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1rck h VAL 16 CO 0.02 0.08 0.12 -0.09 0.02 0.00 0.00 177.57 177.72 1rck h ARG 17 N 0.43 1.08 0.21 1.57 2.43 -1.44 -0.17 114.38 118.49 1rck h ARG 17 Ca 0.15 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1rck h ARG 17 Cb 0.01 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1rck h ARG 17 CO -0.07 0.98 -0.10 0.00 -1.51 0.00 0.00 179.97 179.27 1rck h ALA 18 N 1.11 -0.28 -0.79 2.80 0.00 -0.78 0.14 119.26 121.46 1rck h ALA 18 Ca 0.20 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1rck h ALA 18 Cb 0.41 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1rck h ALA 18 CO 0.01 -0.57 0.52 0.00 0.00 0.00 0.00 179.25 179.20 1rck h ALA 19 N 0.32 1.59 0.06 0.00 0.00 -1.19 -1.49 119.26 118.55 1rck h ALA 19 Ca -0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1rck h ALA 19 Cb 0.34 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1rck h ALA 19 CO 0.05 0.31 -0.03 0.00 0.00 0.00 0.00 179.25 179.58 1rck h ALA 20 N 1.56 -0.08 0.00 0.00 0.00 -0.85 -2.29 119.26 117.60 1rck h ALA 20 Ca 0.33 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rck h ALA 20 Cb 0.15 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1rck h ALA 20 CO -0.11 -0.22 0.00 -0.91 0.00 0.00 0.00 179.25 178.02 1rck h ASN 21 N -0.75 0.00 0.00 0.00 2.35 -0.84 -0.66 115.58 115.69 1rck h ASN 21 Ca -0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1rck h ASN 21 Cb 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1rck h ASN 21 CO 0.01 0.00 -0.00 0.00 -1.65 0.00 0.00 177.43 175.79 1rck h ALA 22 N 2.01 -0.01 -0.83 -0.83 0.00 -1.16 -2.65 119.26 115.80 1rck h ALA 22 Ca 0.00 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.09 1rck h ALA 22 Cb 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.67 1rck h ALA 22 CO 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 179.25 179.12 1rck h ALA 23 N -1.47 0.69 -0.24 0.00 0.00 -1.25 -0.59 119.26 116.40 1rck h ALA 23 Ca -0.00 0.30 0.05 0.00 0.00 0.00 0.00 54.91 55.26 1rck h ALA 23 Cb 0.00 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1rck h ALA 23 CO 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 179.25 178.78 1rck h GLN 25 N 0.02 0.00 0.00 0.00 4.15 -0.74 -3.30 115.11 115.24 1rck h GLN 25 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1rck h GLN 25 Cb 0.17 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1rck h GLN 25 CO -0.23 0.09 -1.52 0.66 -1.93 0.00 0.00 178.83 175.89 1rck n TYR 26 N -3.29 0.00 -0.06 3.99 4.01 -0.90 -4.29 117.16 116.62 1rck n TYR 26 Ca -0.01 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.58 1rck n TYR 26 Cb 0.29 -0.27 -0.05 0.00 -0.31 0.00 0.00 39.34 39.00 1rck n TYR 26 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1rck h TYR 27 N 0.00 1.07 0.00 -0.72 3.20 -1.24 -2.22 116.97 117.07 1rck h TYR 27 Ca 0.00 -0.41 -0.07 0.00 3.14 0.00 0.00 58.73 61.40 1rck h TYR 27 Cb 0.56 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1rck h TYR 27 CO 0.00 1.23 -1.28 1.04 -1.64 0.00 0.00 178.16 177.51 1rck n GLN 28 N -4.02 2.72 0.29 1.82 1.13 -1.26 -4.79 117.38 113.26 1rck n GLN 28 Ca -0.05 -0.01 -0.13 0.00 -1.94 0.00 0.00 57.00 54.87 1rck n GLN 28 Cb 0.65 -1.11 -0.07 0.00 0.11 0.00 0.00 30.24 29.82 1rck n GLN 28 CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 1rck h ASN 29 N 0.00 -0.65 0.00 1.08 -1.24 -1.78 -3.48 115.58 109.52 1rck h ASN 29 Ca -0.10 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.90 1rck h ASN 29 Cb 1.08 0.17 0.00 0.00 0.73 0.00 0.00 38.32 40.30 1rck h ASN 29 CO 0.01 -0.26 0.00 0.47 -1.29 0.00 0.00 177.43 176.36 1rck n ASP 30 N -5.30 0.00 -4.67 1.15 8.00 -1.26 -5.09 116.55 109.38 1rck n ASP 30 Ca -0.10 0.00 -0.47 0.00 0.71 0.00 0.00 54.79 54.93 1rck n ASP 30 Cb 0.32 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.38 1rck n ASP 30 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1rck n ASP 31 N 0.00 3.11 0.02 -2.24 5.75 -0.83 -4.65 116.55 117.70 1rck n ASP 31 Ca 0.00 1.06 0.00 0.00 -0.01 0.00 0.00 54.79 55.84 1rck n ASP 31 Cb 0.00 -1.40 0.00 0.00 -1.03 0.00 0.00 41.12 38.69 1rck n ASP 31 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1rck n THR 32 N 3.85 0.05 -1.27 2.12 5.66 -1.26 -5.10 114.28 118.33 1rck n THR 32 Ca 0.19 0.02 -0.29 0.00 -3.05 0.00 0.00 64.05 60.91 1rck n THR 32 Cb 0.28 -0.79 0.19 0.00 -1.55 0.00 0.00 70.33 68.46 1rck n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rck s ALA 33 N -2.00 1.07 -1.15 1.79 0.00 -1.26 -4.88 121.76 115.34 1rck s ALA 33 Ca 0.00 -0.64 -0.22 0.00 0.00 0.00 0.00 51.96 51.10 1rck s ALA 33 Cb 0.00 -3.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 1rck s ALA 33 CO 0.00 -2.95 1.88 0.20 0.00 0.00 0.00 175.76 174.90 1rck s GLY 34 N -3.80 0.45 -0.29 0.00 0.00 -1.26 -4.68 107.32 97.73 1rck s GLY 34 Ca 0.67 -2.18 -0.04 0.00 0.00 0.00 0.00 44.72 43.18 1rck s GLY 34 CO 0.56 3.37 0.84 -1.35 0.00 0.00 0.00 173.10 176.53 1rck s SER 35 N 6.32 -0.95 0.02 1.64 1.04 -1.26 -4.73 113.70 115.77 1rck s SER 35 Ca 0.65 0.17 0.00 0.00 0.48 0.00 0.00 55.95 57.25 1rck s SER 35 Cb -0.01 1.63 0.00 0.00 0.10 0.00 0.00 66.02 67.74 1rck s SER 35 CO 0.09 -0.17 0.00 -1.54 0.98 0.00 0.00 173.24 172.60 1rck n SER 36 N 5.28 0.05 0.00 7.02 3.41 -1.26 -4.58 113.62 123.53 1rck n SER 36 Ca 0.06 0.03 0.14 0.00 -0.26 0.00 0.00 58.87 58.84 1rck n SER 36 Cb 0.56 -0.00 0.72 0.00 -0.26 0.00 0.00 64.21 65.23 1rck n SER 36 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1rck n THR 37 N -2.85 0.03 -3.65 6.66 -2.24 -1.26 -4.59 114.28 106.39 1rck n THR 37 Ca 0.00 0.01 -0.04 0.00 -2.27 0.00 0.00 64.05 61.75 1rck n THR 37 Cb 0.26 -0.52 -0.06 0.00 -2.10 0.00 0.00 70.33 67.91 1rck n THR 37 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1rck s TYR 38 N -2.63 -1.13 0.57 4.78 1.51 -1.26 -4.34 117.35 114.85 1rck s TYR 38 Ca 0.26 2.05 -0.21 0.00 -1.01 0.00 0.00 57.07 58.16 1rck s TYR 38 Cb 0.20 0.63 -0.04 0.00 -0.11 0.00 0.00 41.96 42.64 1rck s TYR 38 CO 0.46 -0.59 1.32 -2.14 -1.11 0.00 0.00 175.55 173.50 1rck s PRO 39 N 2.58 2.98 -0.01 -1.71 0.02 -1.25 -4.42 135.00 133.19 1rck s PRO 39 Ca -0.06 2.14 0.01 0.00 0.02 0.00 0.00 61.00 63.11 1rck s PRO 39 Cb -0.11 -2.12 0.01 0.00 0.02 0.00 0.00 34.50 32.30 1rck s PRO 39 CO -0.17 -1.28 -0.02 -1.01 -0.33 0.00 0.00 177.00 174.19 1rck s HIS 40 N -1.36 0.25 0.13 6.54 3.76 -1.26 -4.80 115.29 118.55 1rck s HIS 40 Ca 0.75 -0.03 -0.33 0.00 -0.15 0.00 0.00 55.06 55.30 1rck s HIS 40 Cb -0.38 -0.23 -0.13 0.00 1.11 0.00 0.00 32.58 32.95 1rck s HIS 40 CO 0.44 -0.04 1.68 2.41 -0.85 0.00 0.00 174.74 178.38 1rck n THR 41 N 3.38 0.14 -2.42 1.30 -1.04 -1.26 -1.34 114.28 113.04 1rck n THR 41 Ca -0.17 -0.02 -0.43 0.00 -2.04 0.00 0.00 64.05 61.39 1rck n THR 41 Cb 0.56 -1.74 -0.00 0.00 -1.82 0.00 0.00 70.33 67.33 1rck n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1rck n TYR 42 N 4.29 4.44 0.39 -1.42 9.36 -1.04 -4.74 117.16 128.45 1rck n TYR 42 Ca 0.18 -2.84 0.12 0.00 3.32 0.00 0.00 57.90 58.68 1rck n TYR 42 Cb 0.31 -2.62 0.26 0.00 -0.63 0.00 0.00 39.34 36.66 1rck n TYR 42 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 1rck h ASN 43 N 7.32 0.00 -4.06 2.98 4.21 -1.90 -3.44 115.58 120.70 1rck h ASN 43 Ca 0.47 -0.01 -0.44 0.00 1.21 0.00 0.00 56.30 57.53 1rck h ASN 43 Cb 0.83 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.02 1rck h ASN 43 CO 1.53 0.00 0.35 0.54 -1.29 0.00 0.00 177.43 178.56 1rck s ASN 44 N -5.43 6.87 -0.37 5.81 4.22 -1.26 -5.05 114.94 119.74 1rck s ASN 44 Ca 0.08 1.72 -0.01 0.00 -2.14 0.00 0.00 52.86 52.51 1rck s ASN 44 Cb 0.08 -2.54 0.18 0.00 1.28 0.00 0.00 41.25 40.26 1rck s ASN 44 CO 0.65 -0.41 0.86 -0.72 -2.04 0.00 0.00 177.10 175.43 1rck s TYR 45 N -2.14 -1.00 -0.39 1.54 1.13 -1.26 -4.86 117.35 110.37 1rck s TYR 45 Ca 0.62 0.14 0.11 0.00 -1.41 0.00 0.00 57.07 56.53 1rck s TYR 45 Cb -0.10 0.19 0.38 0.00 -1.10 0.00 0.00 41.96 41.32 1rck s TYR 45 CO 0.14 -0.68 1.04 -0.85 -2.51 0.00 0.00 175.55 172.69 1rck n GLU 46 N 3.99 1.08 0.00 -3.49 0.28 -1.26 -4.95 120.64 116.29 1rck n GLU 46 Ca 0.08 -2.57 0.00 0.00 -0.16 0.00 0.00 57.16 54.51 1rck n GLU 46 Cb 0.60 -1.01 0.00 0.00 1.43 0.00 0.00 31.44 32.47 1rck n GLU 46 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1rck n GLY 47 N 0.01 2.59 3.77 -1.84 0.00 -1.26 -5.08 105.19 103.38 1rck n GLY 47 Ca 0.09 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 1rck n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rck s PHE 48 N 0.00 3.47 -0.28 1.61 0.08 -1.26 -5.07 117.98 116.53 1rck s PHE 48 Ca 0.00 0.39 -0.33 0.00 0.12 0.00 0.00 56.93 57.11 1rck s PHE 48 Cb 0.00 -2.10 0.18 0.00 -0.57 0.00 0.00 43.02 40.53 1rck s PHE 48 CO 0.00 0.42 1.35 0.16 -0.10 0.00 0.00 175.22 177.05 1rck s ASP 49 N -0.04 -0.04 -0.29 1.36 1.47 -1.26 -4.36 116.67 113.51 1rck s ASP 49 Ca 0.10 0.03 0.02 0.00 1.18 0.00 0.00 52.55 53.88 1rck s ASP 49 Cb -0.11 0.04 0.08 0.00 -0.34 0.00 0.00 42.92 42.58 1rck s ASP 49 CO -0.00 -0.05 -0.01 -0.36 0.68 0.00 0.00 175.17 175.43 1rck s PHE 50 N -1.49 2.97 -1.15 2.11 0.08 -1.26 -5.04 117.98 114.21 1rck s PHE 50 Ca 0.10 -2.31 -0.21 0.00 0.12 0.00 0.00 56.93 54.63 1rck s PHE 50 Cb -0.01 -2.13 0.04 0.00 -0.57 0.00 0.00 43.02 40.35 1rck s PHE 50 CO -0.06 -0.87 1.66 -1.25 -0.10 0.00 0.00 175.22 174.60 1rck s PRO 51 N 1.19 3.58 0.00 0.24 0.04 -1.26 -4.64 135.00 134.15 1rck s PRO 51 Ca 0.01 -1.43 0.00 0.00 0.04 0.00 0.00 61.00 59.62 1rck s PRO 51 Cb -0.19 -5.40 0.00 0.00 0.04 0.00 0.00 34.50 28.95 1rck s PRO 51 CO -0.09 -2.49 0.00 1.33 0.04 0.00 0.00 177.00 175.79 1rck n VAL 52 N 6.84 0.00 0.00 -0.36 0.24 -1.26 -5.12 118.33 118.67 1rck n VAL 52 Ca 0.42 0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.76 1rck n VAL 52 Cb 0.48 -0.93 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 1rck n VAL 52 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1rck n ASP 53 N -2.12 0.00 0.00 -1.34 8.00 -1.26 -5.19 116.55 114.64 1rck n ASP 53 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1rck n ASP 53 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1rck n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rck n GLY 54 N 1.57 3.87 2.88 0.44 0.00 -1.26 -5.03 105.19 107.66 1rck n GLY 54 Ca 0.00 -1.35 -0.24 0.00 0.00 0.00 0.00 46.02 44.43 1rck n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rck n PRO 55 N 0.03 -2.37 -4.21 1.61 -0.04 -1.26 -5.07 135.00 123.68 1rck n PRO 55 Ca 0.00 -1.46 -0.14 0.00 -0.04 0.00 0.00 63.50 61.86 1rck n PRO 55 Cb 0.00 -1.27 -0.09 0.00 -0.04 0.00 0.00 33.50 32.10 1rck n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1rck s TYR 56 N -2.75 1.30 -0.10 0.54 1.51 -1.26 -3.83 117.35 112.75 1rck s TYR 56 Ca 0.58 -1.43 -0.22 0.00 -1.01 0.00 0.00 57.07 54.99 1rck s TYR 56 Cb -0.05 -0.54 0.05 0.00 -0.11 0.00 0.00 41.96 41.31 1rck s TYR 56 CO 0.44 -0.76 0.53 1.14 -1.11 0.00 0.00 175.55 175.79 1rck s GLN 57 N -3.88 0.80 0.52 -0.62 1.03 -1.06 -2.49 119.66 113.96 1rck s GLN 57 Ca 0.38 0.32 -0.14 0.00 0.04 0.00 0.00 55.36 55.97 1rck s GLN 57 Cb 0.05 0.38 -0.06 0.00 0.03 0.00 0.00 33.01 33.40 1rck s GLN 57 CO 0.17 -0.20 0.96 -1.21 -2.54 0.00 0.00 175.29 172.47 1rck s GLU 58 N -0.68 3.82 -0.29 9.60 2.02 -0.45 -1.53 118.70 131.18 1rck s GLU 58 Ca -0.08 0.80 0.04 0.00 0.02 0.00 0.00 54.97 55.75 1rck s GLU 58 Cb -0.03 -2.17 0.20 0.00 0.10 0.00 0.00 34.13 32.23 1rck s GLU 58 CO 0.05 -0.31 0.62 0.12 0.02 0.00 0.00 175.26 175.76 1rck s PHE 59 N -2.73 -1.74 -0.32 1.61 5.36 -0.22 -3.90 117.98 116.05 1rck s PHE 59 Ca 0.56 1.17 -0.29 0.00 -0.96 0.00 0.00 56.93 57.41 1rck s PHE 59 Cb -0.10 0.36 0.01 0.00 -0.34 0.00 0.00 43.02 42.94 1rck s PHE 59 CO 0.38 -1.00 1.20 -1.25 -1.46 0.00 0.00 175.22 173.08 1rck s PRO 60 N 2.84 3.96 0.69 10.12 0.04 -1.26 -0.70 135.00 150.69 1rck s PRO 60 Ca 0.13 1.12 -0.03 0.00 0.04 0.00 0.00 61.00 62.26 1rck s PRO 60 Cb -0.11 -3.82 0.09 0.00 0.04 0.00 0.00 34.50 30.70 1rck s PRO 60 CO -0.25 -1.05 0.97 -1.50 0.04 0.00 0.00 177.00 175.21 1rck s ILE 61 N 4.09 2.30 -0.02 0.56 2.07 -0.77 -3.82 121.20 125.61 1rck s ILE 61 Ca 0.51 -0.48 -0.30 0.00 -1.41 0.00 0.00 60.65 58.97 1rck s ILE 61 Cb -0.14 -2.82 0.07 0.00 0.13 0.00 0.00 42.46 39.70 1rck s ILE 61 CO 0.21 0.00 0.68 -1.59 -1.91 0.00 0.00 174.94 172.33 1rck s LYS 62 N -5.13 1.08 -1.26 3.50 -2.85 -1.26 -4.65 119.74 109.16 1rck s LYS 62 Ca 0.63 0.12 -0.06 0.00 -1.00 0.00 0.00 55.97 55.66 1rck s LYS 62 Cb -0.08 0.51 0.08 0.00 -2.06 0.00 0.00 37.83 36.27 1rck s LYS 62 CO 0.44 -0.36 2.52 0.45 0.10 0.00 0.00 175.35 178.49 1rck n SER 63 N 0.66 7.97 0.00 0.03 2.88 -1.26 -3.83 113.62 120.08 1rck n SER 63 Ca -0.18 -3.06 0.00 0.00 -1.33 0.00 0.00 58.87 54.30 1rck n SER 63 Cb 0.58 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 1rck n SER 63 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rck n GLY 64 N 1.91 0.00 0.00 0.46 0.00 -1.26 -5.17 105.19 101.13 1rck n GLY 64 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1rck n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rck n GLY 65 N 0.00 1.52 3.87 -0.02 0.00 -1.25 -5.12 105.19 104.19 1rck n GLY 65 Ca 0.00 -1.78 -0.35 0.00 0.00 0.00 0.00 46.02 43.89 1rck n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rck s VAL 66 N -1.44 5.17 0.08 1.61 1.01 -1.26 -4.20 120.40 121.38 1rck s VAL 66 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.33 1rck s VAL 66 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1rck s VAL 66 CO 0.00 0.32 0.00 0.00 0.00 0.00 0.00 175.10 175.42 1rck n TYR 67 N 0.99 -2.31 -4.22 5.22 0.18 -1.26 -5.01 117.16 110.76 1rck n TYR 67 Ca -0.09 0.46 -0.13 0.00 1.88 0.00 0.00 57.90 60.02 1rck n TYR 67 Cb 0.52 -0.67 -0.10 0.00 -0.38 0.00 0.00 39.34 38.72 1rck n TYR 67 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 1rck s THR 68 N -0.60 0.35 -0.06 -3.48 -1.32 -1.25 -4.62 115.64 104.66 1rck s THR 68 Ca 0.00 -1.96 0.04 0.00 -1.21 0.00 0.00 61.69 58.56 1rck s THR 68 Cb 0.00 -2.26 -0.00 0.00 -1.51 0.00 0.00 72.50 68.72 1rck s THR 68 CO 0.00 -0.30 -0.20 -0.83 -2.21 0.00 0.00 174.62 171.09 1rck s GLY 69 N -3.16 1.07 0.00 6.08 0.00 -1.26 -4.85 107.32 105.20 1rck s GLY 69 Ca 0.29 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 44.23 1rck s GLY 69 CO 0.07 -0.36 0.00 0.61 0.00 0.00 0.00 173.10 173.42 1rck n GLY 70 N 3.25 1.96 3.73 0.20 0.00 -1.26 -4.82 105.19 108.26 1rck n GLY 70 Ca -0.19 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 45.60 1rck n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rck s SER 71 N 0.00 -0.24 0.95 1.61 1.04 -1.26 -5.18 113.70 110.63 1rck s SER 71 Ca 0.00 -0.39 -0.01 0.00 0.48 0.00 0.00 55.95 56.03 1rck s SER 71 Cb 0.00 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.68 1rck s SER 71 CO 0.00 -0.99 0.04 -2.65 0.98 0.00 0.00 173.24 170.62 1rck n PRO 72 N -0.44 -1.86 0.06 4.02 -0.02 -1.26 -4.89 135.00 130.61 1rck n PRO 72 Ca -0.06 -0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1rck n PRO 72 Cb 0.61 -0.10 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 1rck n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rck n GLY 73 N -0.27 -0.13 1.62 -1.23 0.00 -1.26 -5.05 105.19 98.86 1rck n GLY 73 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1rck n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rck n ALA 74 N -3.11 0.00 -2.23 4.61 0.00 -1.26 -4.84 120.51 113.69 1rck n ALA 74 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1rck n ALA 74 Cb 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 1rck n ALA 74 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1rck s ASP 75 N -1.65 6.86 -0.10 0.00 -4.77 -1.26 -2.39 116.67 113.37 1rck s ASP 75 Ca 0.00 2.13 -0.04 0.00 -3.30 0.00 0.00 52.55 51.34 1rck s ASP 75 Cb 0.00 -2.56 0.05 0.00 -1.09 0.00 0.00 42.92 39.31 1rck s ASP 75 CO 0.00 -0.70 0.21 -0.13 0.70 0.00 0.00 175.17 175.25 1rck s ARG 76 N 2.17 0.13 0.17 2.11 0.52 -0.13 -1.84 118.95 122.09 1rck s ARG 76 Ca 0.64 0.54 -0.11 0.00 -0.52 0.00 0.00 55.73 56.28 1rck s ARG 76 Cb -0.32 -0.15 -0.07 0.00 0.52 0.00 0.00 34.95 34.94 1rck s ARG 76 CO 0.27 -0.21 0.51 0.14 0.02 0.00 0.00 175.30 176.02 1rck s VAL 77 N 1.64 4.96 -0.12 3.52 -7.23 0.12 -1.67 120.40 121.63 1rck s VAL 77 Ca -0.05 0.53 -0.02 0.00 -1.81 0.00 0.00 61.98 60.63 1rck s VAL 77 Cb -0.11 -3.66 0.04 0.00 0.56 0.00 0.00 36.38 33.21 1rck s VAL 77 CO -0.07 0.09 0.03 -0.69 -0.31 0.00 0.00 175.10 174.14 1rck s VAL 78 N -1.63 0.33 0.71 1.32 1.01 -0.86 -1.05 120.40 120.23 1rck s VAL 78 Ca 0.41 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 1rck s VAL 78 Cb -0.13 -0.66 0.15 0.00 0.00 0.00 0.00 36.38 35.74 1rck s VAL 78 CO 0.20 0.05 0.98 2.30 0.00 0.00 0.00 175.10 178.63 1rck n ILE 79 N 5.14 0.00 -2.92 2.22 -5.35 -0.58 -2.12 119.36 115.75 1rck n ILE 79 Ca -0.07 -1.33 -0.25 0.00 -0.27 0.00 0.00 62.75 60.83 1rck n ILE 79 Cb 0.49 -1.06 -0.03 0.00 -1.74 0.00 0.00 39.64 37.30 1rck n ILE 79 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1rck n ASN 80 N -3.09 3.73 0.00 7.28 5.15 0.19 -2.56 115.26 125.96 1rck n ASN 80 Ca 0.15 -3.53 0.00 0.00 -0.60 0.00 0.00 54.58 50.60 1rck n ASN 80 Cb 0.54 -0.56 0.00 0.00 -0.53 0.00 0.00 39.78 39.23 1rck n ASN 80 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1rck n THR 81 N -0.17 0.00 0.00 -0.44 5.66 -1.25 -4.46 114.28 113.62 1rck n THR 81 Ca 0.30 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.30 1rck n THR 81 Cb 0.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 1rck n THR 81 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1rck n ASN 82 N 0.00 0.00 0.00 1.09 2.85 -1.26 -4.91 115.26 113.03 1rck n ASN 82 Ca 0.00 0.31 0.00 0.00 -0.11 0.00 0.00 54.58 54.78 1rck n ASN 82 Cb 0.00 -0.29 0.00 0.00 1.24 0.00 0.00 39.78 40.73 1rck n ASN 82 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1rck s GLU 84 N 0.00 4.42 -0.18 0.00 8.01 -1.26 -4.69 118.70 125.00 1rck s GLU 84 Ca 0.00 1.43 -0.29 0.00 0.01 0.00 0.00 54.97 56.11 1rck s GLU 84 Cb 0.00 -3.54 -0.03 0.00 -4.31 0.00 0.00 34.13 26.24 1rck s GLU 84 CO 0.00 -0.32 1.66 -0.47 0.01 0.00 0.00 175.26 176.14 1rck s TYR 85 N 2.01 2.02 -0.09 1.61 5.04 -1.26 -0.64 117.35 126.03 1rck s TYR 85 Ca 0.49 0.45 -0.00 0.00 -2.44 0.00 0.00 57.07 55.57 1rck s TYR 85 Cb -0.19 -3.97 -0.00 0.00 0.35 0.00 0.00 41.96 38.15 1rck s TYR 85 CO 0.19 -3.23 -0.00 0.00 -1.34 0.00 0.00 175.55 171.16 1rck h ALA 86 N 10.67 0.00 -2.21 3.97 0.00 -1.68 -3.47 119.26 126.54 1rck h ALA 86 Ca -0.35 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.61 1rck h ALA 86 Cb 1.16 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.80 1rck h ALA 86 CO 0.99 0.01 0.43 0.20 0.00 0.00 0.00 179.25 180.87 1rck s GLY 87 N -3.46 -0.46 -0.06 0.00 0.00 -1.08 -4.95 107.32 97.31 1rck s GLY 87 Ca -0.00 1.18 0.04 0.00 0.00 0.00 0.00 44.72 45.93 1rck s GLY 87 CO 0.01 0.52 -0.18 0.00 0.00 0.00 0.00 173.10 173.45 1rck s ALA 88 N -2.58 2.50 0.18 3.20 0.00 -1.26 -2.03 121.76 121.77 1rck s ALA 88 Ca 0.01 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.06 1rck s ALA 88 Cb -0.01 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 1rck s ALA 88 CO -0.05 0.47 -0.17 0.96 0.00 0.00 0.00 175.76 176.97 1rck s ILE 89 N -0.41 1.81 -0.05 0.00 -4.36 -0.67 -1.58 121.20 115.94 1rck s ILE 89 Ca 0.04 -2.02 -0.29 0.00 -0.26 0.00 0.00 60.65 58.13 1rck s ILE 89 Cb -0.12 -1.91 0.06 0.00 1.25 0.00 0.00 42.46 41.75 1rck s ILE 89 CO 0.02 -0.40 0.64 0.28 0.24 0.00 0.00 174.94 175.71 1rck s THR 90 N -2.34 0.01 -0.30 8.37 -1.32 -0.12 -0.95 115.64 118.99 1rck s THR 90 Ca 0.18 -0.05 0.21 0.00 -1.21 0.00 0.00 61.69 60.82 1rck s THR 90 Cb -0.04 -0.96 0.26 0.00 -1.51 0.00 0.00 72.50 70.25 1rck s THR 90 CO 0.07 -0.03 1.60 0.45 -2.21 0.00 0.00 174.62 174.50 1rck h HIS 91 N 3.09 0.00 -1.91 9.09 3.86 -1.66 -1.76 115.15 125.85 1rck h HIS 91 Ca -0.27 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.36 1rck h HIS 91 Cb 1.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.61 1rck h HIS 91 CO 0.40 0.15 1.51 2.41 0.86 0.00 0.00 177.93 183.26 1rck n THR 92 N -3.15 0.29 0.00 2.45 -1.04 -1.26 -1.09 114.28 110.48 1rck n THR 92 Ca 0.03 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 1rck n THR 92 Cb 0.57 -2.57 0.00 0.00 -1.82 0.00 0.00 70.33 66.51 1rck n THR 92 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rck n GLY 93 N 5.83 1.67 2.41 3.41 0.00 -1.26 -4.26 105.19 112.98 1rck n GLY 93 Ca 0.31 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.14 1rck n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rck n ALA 94 N -0.05 -1.70 -1.36 4.61 0.00 -0.25 -4.92 120.51 116.84 1rck n ALA 94 Ca 0.00 -1.10 -0.28 0.00 0.00 0.00 0.00 53.44 52.05 1rck n ALA 94 Cb 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 19.45 19.31 1rck n ALA 94 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1rck n SER 95 N -3.93 7.09 0.00 0.00 7.64 -1.26 -4.86 113.62 118.29 1rck n SER 95 Ca 0.10 -2.75 0.00 0.00 1.01 0.00 0.00 58.87 57.23 1rck n SER 95 Cb 0.38 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 1rck n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rck n GLY 96 N 2.43 1.79 0.11 0.23 0.00 -1.26 -3.82 105.19 104.67 1rck n GLY 96 Ca 0.59 0.08 -0.20 0.00 0.00 0.00 0.00 46.02 46.49 1rck n GLY 96 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1rck h ASN 97 N 0.00 0.45 -2.59 1.61 -1.24 -1.91 -3.46 115.58 108.44 1rck h ASN 97 Ca 0.00 -0.96 -0.48 0.00 0.71 0.00 0.00 56.30 55.57 1rck h ASN 97 Cb 0.00 -0.15 0.23 0.00 0.73 0.00 0.00 38.32 39.13 1rck h ASN 97 CO 0.00 1.38 -1.01 0.59 -1.29 0.00 0.00 177.43 177.10 1rck n ASN 98 N -4.14 -2.39 -4.42 1.15 4.13 -1.25 -4.91 115.26 103.43 1rck n ASN 98 Ca -0.14 0.02 -0.25 0.00 1.68 0.00 0.00 54.58 55.90 1rck n ASN 98 Cb 0.81 -1.01 -0.11 0.00 -1.54 0.00 0.00 39.78 37.93 1rck n ASN 98 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1rck s PHE 99 N -2.27 2.18 0.14 3.10 0.08 -1.26 -4.32 117.98 115.63 1rck s PHE 99 Ca 0.55 -0.38 -0.06 0.00 0.12 0.00 0.00 56.93 57.16 1rck s PHE 99 Cb -0.14 -1.03 -0.02 0.00 -0.57 0.00 0.00 43.02 41.26 1rck s PHE 99 CO 0.67 0.53 0.18 0.14 -0.10 0.00 0.00 175.22 176.65 1rck s VAL 100 N -2.09 0.09 0.03 -0.44 -7.23 -0.66 -4.91 120.40 105.18 1rck s VAL 100 Ca 0.23 -1.57 -0.18 0.00 -1.81 0.00 0.00 61.98 58.65 1rck s VAL 100 Cb -0.06 -1.86 -0.06 0.00 0.56 0.00 0.00 36.38 34.96 1rck s VAL 100 CO 0.11 -0.41 0.51 -0.83 -0.31 0.00 0.00 175.10 174.17 1rck s GLY 101 N -2.99 2.58 0.13 2.32 0.00 -1.26 -0.94 107.32 107.17 1rck s GLY 101 Ca 0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 44.72 44.82 1rck s GLY 101 CO -0.01 0.41 0.18 0.00 0.00 0.00 0.00 173.10 173.68 1rck s SER 103 N -1.67 7.02 0.00 0.00 0.15 -0.79 -3.40 113.70 115.01 1rck s SER 103 Ca 0.10 1.73 0.00 0.00 0.70 0.00 0.00 55.95 58.49 1rck s SER 103 Cb -0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1rck s SER 103 CO 0.07 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.48 1rck n GLY 104 N 3.44 0.56 3.04 9.45 0.00 -1.26 -4.29 105.19 116.13 1rck n GLY 104 Ca 0.12 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 1rck n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rck s THR 105 N -2.41 -0.38 0.00 2.61 2.01 -1.22 -4.60 115.64 111.65 1rck s THR 105 Ca 0.00 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.25 1rck s THR 105 Cb 0.00 -0.46 0.00 0.00 0.01 0.00 0.00 72.50 72.05 1rck s THR 105 CO 0.00 0.11 0.00 -3.20 -0.69 0.00 0.00 174.62 170.84