#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rck n ALA 3 N 0.00 -2.16 -3.72 -0.43 0.00 -1.26 -4.51 120.51 108.43 1rck n ALA 3 Ca 0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 53.44 52.94 1rck n ALA 3 Cb 0.00 -1.69 -0.14 0.00 0.00 0.00 0.00 19.45 17.63 1rck n ALA 3 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1rck s THR 4 N -1.90 1.17 -0.70 0.00 -4.23 -1.06 -4.58 115.64 104.33 1rck s THR 4 Ca 0.62 -2.04 -0.15 0.00 -1.18 0.00 0.00 61.69 58.93 1rck s THR 4 Cb -0.38 -1.85 0.18 0.00 1.34 0.00 0.00 72.50 71.79 1rck s THR 4 CO 0.61 -0.80 0.66 -0.89 -0.54 0.00 0.00 174.62 173.67 1rck s THR 5 N 0.92 5.40 -1.15 3.99 2.01 -1.26 -0.77 115.64 124.78 1rck s THR 5 Ca 0.14 -2.00 -0.09 0.00 0.31 0.00 0.00 61.69 60.06 1rck s THR 5 Cb -0.21 -4.42 0.25 0.00 0.01 0.00 0.00 72.50 68.12 1rck s THR 5 CO -0.10 -0.98 1.42 0.00 -0.69 0.00 0.00 174.62 174.27 1rck n GLY 7 N 2.58 2.15 0.03 0.00 0.00 -1.26 -2.55 105.19 106.13 1rck n GLY 7 Ca 0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 46.02 46.20 1rck n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rck n SER 8 N 6.74 3.65 -4.55 1.61 2.88 -1.26 -4.86 113.62 117.83 1rck n SER 8 Ca 0.00 -0.01 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 1rck n SER 8 Cb 0.00 0.50 -0.03 0.00 -0.75 0.00 0.00 64.21 63.93 1rck n SER 8 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1rck s THR 9 N -2.13 3.69 0.15 2.46 2.01 -1.06 -4.95 115.64 115.81 1rck s THR 9 Ca -0.04 -0.10 0.08 0.00 0.31 0.00 0.00 61.69 61.95 1rck s THR 9 Cb 0.02 -4.69 -0.04 0.00 0.01 0.00 0.00 72.50 67.80 1rck s THR 9 CO 0.21 -1.62 -0.11 0.20 -0.69 0.00 0.00 174.62 172.61 1rck s ASN 10 N 5.38 4.23 0.15 3.53 0.01 -1.26 -1.86 114.94 125.12 1rck s ASN 10 Ca 0.48 -0.52 -0.05 0.00 -0.71 0.00 0.00 52.86 52.07 1rck s ASN 10 Cb -0.06 -0.72 -0.02 0.00 0.41 0.00 0.00 41.25 40.85 1rck s ASN 10 CO 0.06 0.14 0.18 -0.31 -1.51 0.00 0.00 177.10 175.65 1rck s TYR 11 N -1.45 0.66 0.45 2.20 2.02 0.05 -4.96 117.35 116.32 1rck s TYR 11 Ca 0.23 -1.02 -0.09 0.00 -0.37 0.00 0.00 57.07 55.82 1rck s TYR 11 Cb -0.10 -0.28 -0.05 0.00 -0.40 0.00 0.00 41.96 41.13 1rck s TYR 11 CO 0.14 -0.63 0.80 -1.12 -1.57 0.00 0.00 175.55 173.16 1rck s SER 12 N -3.02 6.41 0.66 2.29 0.01 -1.26 -2.57 113.70 116.22 1rck s SER 12 Ca 0.22 1.09 0.39 0.00 1.31 0.00 0.00 55.95 58.96 1rck s SER 12 Cb 0.05 -2.31 2.13 0.00 0.21 0.00 0.00 66.02 66.10 1rck s SER 12 CO 0.02 -0.50 2.23 0.00 0.41 0.00 0.00 173.24 175.40 1rck h ALA 13 N 0.78 1.19 -0.18 1.44 0.00 -1.90 -0.84 119.26 119.75 1rck h ALA 13 Ca -0.47 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1rck h ALA 13 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1rck h ALA 13 CO 0.63 -0.11 -0.11 0.77 0.00 0.00 0.00 179.25 180.42 1rck h SER 14 N 0.00 0.41 -0.46 0.00 0.02 -1.92 -1.77 113.55 109.82 1rck h SER 14 Ca 0.01 -0.43 -0.05 0.00 -0.84 0.00 0.00 61.79 60.48 1rck h SER 14 Cb 0.22 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1rck h SER 14 CO -0.00 0.75 0.10 1.56 -1.14 0.00 0.00 176.83 178.10 1rck h GLN 15 N 0.07 0.76 -0.37 3.45 7.50 -1.53 -0.85 115.11 124.14 1rck h GLN 15 Ca 0.04 -0.19 -0.00 0.00 0.50 0.00 0.00 58.65 58.99 1rck h GLN 15 Cb 0.61 -0.09 -0.02 0.00 0.05 0.00 0.00 27.48 28.03 1rck h GLN 15 CO 0.03 0.76 0.21 0.28 -1.50 0.00 0.00 178.83 178.61 1rck h VAL 16 N 0.63 1.13 -0.52 -0.54 2.07 -1.52 -0.02 116.25 117.48 1rck h VAL 16 Ca 0.14 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1rck h VAL 16 Cb 0.35 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1rck h VAL 16 CO 0.00 0.14 0.23 -0.09 0.02 0.00 0.00 177.57 177.87 1rck h ARG 17 N 0.47 0.76 -0.33 1.57 2.43 -1.19 -0.01 114.38 118.07 1rck h ARG 17 Ca 0.13 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1rck h ARG 17 Cb 0.03 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1rck h ARG 17 CO -0.02 0.65 0.08 0.00 -1.51 0.00 0.00 179.97 179.17 1rck h ALA 18 N 1.07 0.44 -0.24 2.80 0.00 -0.97 0.36 119.26 122.71 1rck h ALA 18 Ca 0.18 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1rck h ALA 18 Cb 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1rck h ALA 18 CO -0.02 0.10 -0.06 0.00 0.00 0.00 0.00 179.25 179.27 1rck h ALA 19 N 0.92 1.45 0.09 0.00 0.00 -0.81 -0.95 119.26 119.96 1rck h ALA 19 Ca 0.10 -0.20 -0.28 0.00 0.00 0.00 0.00 54.91 54.54 1rck h ALA 19 Cb 0.29 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.99 1rck h ALA 19 CO 0.00 0.39 -1.17 0.00 0.00 0.00 0.00 179.25 178.46 1rck h ALA 20 N 1.58 0.11 0.00 0.00 0.00 -0.78 -1.15 119.26 119.02 1rck h ALA 20 Ca 0.08 -0.78 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 1rck h ALA 20 Cb 0.34 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1rck h ALA 20 CO 0.01 0.79 -0.03 -0.91 0.00 0.00 0.00 179.25 179.11 1rck h ASN 21 N 0.22 0.00 0.00 0.00 -0.26 -0.61 -0.73 115.58 114.20 1rck h ASN 21 Ca -0.15 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.59 1rck h ASN 21 Cb 1.85 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.11 1rck h ASN 21 CO 0.21 0.03 -0.05 0.00 -1.06 0.00 0.00 177.43 176.55 1rck h ALA 22 N 1.97 0.00 -0.93 -0.83 0.00 -1.02 -2.47 119.26 115.98 1rck h ALA 22 Ca -0.00 -0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.02 1rck h ALA 22 Cb 0.43 0.05 -0.17 0.00 0.00 0.00 0.00 17.79 18.11 1rck h ALA 22 CO 0.00 0.05 -0.31 0.00 0.00 0.00 0.00 179.25 179.00 1rck h ALA 23 N -1.14 0.37 -0.87 0.00 0.00 -1.15 0.25 119.26 116.72 1rck h ALA 23 Ca 0.00 0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1rck h ALA 23 Cb 0.05 0.84 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1rck h ALA 23 CO 0.00 -0.51 0.45 0.00 0.00 0.00 0.00 179.25 179.19 1rck n GLN 25 N -4.32 1.65 0.00 0.00 1.13 0.56 -3.44 117.38 112.96 1rck n GLN 25 Ca 0.09 -0.99 0.00 0.00 -1.94 0.00 0.00 57.00 54.16 1rck n GLN 25 Cb 0.12 -1.31 0.00 0.00 0.11 0.00 0.00 30.24 29.16 1rck n GLN 25 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1rck n TYR 26 N 0.25 0.00 -0.02 1.08 4.01 0.52 -4.69 117.16 118.31 1rck n TYR 26 Ca 0.13 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.86 1rck n TYR 26 Cb 0.27 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.26 1rck n TYR 26 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1rck n TYR 27 N -0.54 0.00 0.10 -0.72 9.36 -0.32 -3.06 117.16 121.98 1rck n TYR 27 Ca 0.00 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.24 1rck n TYR 27 Cb 0.00 -0.21 -0.03 0.00 -0.63 0.00 0.00 39.34 38.47 1rck n TYR 27 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1rck n GLN 28 N -2.05 2.94 0.00 2.98 7.27 -1.22 -4.57 117.38 122.73 1rck n GLN 28 Ca -0.06 -0.02 0.00 0.00 0.07 0.00 0.00 57.00 56.99 1rck n GLN 28 Cb 0.52 -0.90 0.00 0.00 2.41 0.00 0.00 30.24 32.27 1rck n GLN 28 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1rck n ASN 29 N -1.37 0.74 -0.34 1.69 6.94 -1.25 -4.69 115.26 116.97 1rck n ASN 29 Ca 0.00 -1.89 0.00 0.00 -0.02 0.00 0.00 54.58 52.67 1rck n ASN 29 Cb 0.09 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.14 1rck n ASN 29 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1rck n ASP 30 N -0.09 -1.35 -3.71 0.53 2.03 -1.26 -5.05 116.55 107.65 1rck n ASP 30 Ca 0.00 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.17 1rck n ASP 30 Cb 0.18 -0.34 -0.08 0.00 -0.72 0.00 0.00 41.12 40.16 1rck n ASP 30 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1rck s ASP 31 N -2.67 -0.30 -0.45 1.67 1.01 -1.26 -5.11 116.67 109.56 1rck s ASP 31 Ca 0.00 0.28 0.02 0.00 0.71 0.00 0.00 52.55 53.56 1rck s ASP 31 Cb 0.00 0.41 0.21 0.00 1.01 0.00 0.00 42.92 44.55 1rck s ASP 31 CO 0.00 -0.45 0.90 1.07 0.21 0.00 0.00 175.17 176.90 1rck n THR 32 N 1.36 0.00 -1.71 -1.27 5.66 -1.17 -3.24 114.28 113.91 1rck n THR 32 Ca -0.20 -0.79 -0.29 0.00 -3.05 0.00 0.00 64.05 59.72 1rck n THR 32 Cb 0.56 0.94 -0.04 0.00 -1.55 0.00 0.00 70.33 70.24 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 0.82 1.47 -1.29 1.79 0.00 -1.26 -4.85 121.76 118.45 1rck s ALA 33 Ca 0.28 -0.52 -0.07 0.00 0.00 0.00 0.00 51.96 51.65 1rck s ALA 33 Cb 0.08 -4.43 0.04 0.00 0.00 0.00 0.00 23.12 18.82 1rck s ALA 33 CO -0.10 -4.81 2.63 0.41 0.00 0.00 0.00 175.76 173.90 1rck n GLY 34 N 6.27 4.79 0.00 0.00 0.00 -1.26 -3.10 105.19 111.90 1rck n GLY 34 Ca 0.37 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1rck n GLY 34 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rck n SER 35 N 2.22 0.00 0.00 1.61 2.88 -1.26 -5.01 113.62 114.06 1rck n SER 35 Ca 0.66 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 1rck n SER 35 Cb 0.29 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 1rck n SER 35 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1rck n SER 36 N -1.51 0.00 -0.75 -3.46 7.64 -1.26 -4.97 113.62 109.31 1rck n SER 36 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1rck n SER 36 Cb 0.00 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1rck n SER 36 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1rck n THR 37 N -2.04 0.50 -0.41 0.44 5.66 -1.26 -4.97 114.28 112.20 1rck n THR 37 Ca 0.00 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.05 1rck n THR 37 Cb 0.00 -0.75 -0.02 0.00 -1.55 0.00 0.00 70.33 68.00 1rck n THR 37 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1rck n TYR 38 N 0.25 -1.09 -2.16 1.09 4.01 -1.26 -4.49 117.16 113.51 1rck n TYR 38 Ca 0.00 0.59 -0.43 0.00 -0.16 0.00 0.00 57.90 57.91 1rck n TYR 38 Cb 0.38 -0.99 -0.02 0.00 -0.31 0.00 0.00 39.34 38.39 1rck n TYR 38 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1rck s PRO 39 N -3.00 4.04 0.11 -0.72 0.04 -1.18 -4.69 135.00 129.59 1rck s PRO 39 Ca 0.00 1.83 0.08 0.00 0.04 0.00 0.00 61.00 62.95 1rck s PRO 39 Cb 0.00 -3.95 -0.04 0.00 0.04 0.00 0.00 34.50 30.56 1rck s PRO 39 CO 0.00 -0.99 -0.20 -1.01 0.04 0.00 0.00 177.00 174.84 1rck s HIS 40 N 4.35 1.73 0.04 0.56 3.76 -1.26 -4.25 115.29 120.23 1rck s HIS 40 Ca 0.68 -0.43 -0.29 0.00 -0.15 0.00 0.00 55.06 54.86 1rck s HIS 40 Cb -0.27 -0.94 -0.04 0.00 1.11 0.00 0.00 32.58 32.44 1rck s HIS 40 CO 0.26 0.21 0.93 0.99 -0.85 0.00 0.00 174.74 176.27 1rck s THR 41 N -1.32 4.73 0.26 1.30 2.01 -1.26 -2.08 115.64 119.28 1rck s THR 41 Ca 0.07 1.97 -0.12 0.00 0.31 0.00 0.00 61.69 63.92 1rck s THR 41 Cb -0.09 -4.28 -0.08 0.00 0.01 0.00 0.00 72.50 68.06 1rck s THR 41 CO 0.04 0.25 0.63 -0.47 -0.69 0.00 0.00 174.62 174.38 1rck s TYR 42 N 0.51 3.42 -0.18 4.92 5.04 -0.83 -4.95 117.35 125.27 1rck s TYR 42 Ca 0.48 1.04 -0.13 0.00 -2.44 0.00 0.00 57.07 56.02 1rck s TYR 42 Cb -0.22 -2.39 0.06 0.00 0.35 0.00 0.00 41.96 39.76 1rck s TYR 42 CO 0.27 0.21 0.46 1.21 -1.34 0.00 0.00 175.55 176.36 1rck s ASN 43 N -2.27 -0.55 0.19 4.32 2.47 -1.26 -4.28 114.94 113.57 1rck s ASN 43 Ca 0.50 0.98 0.00 0.00 0.42 0.00 0.00 52.86 54.75 1rck s ASN 43 Cb -0.11 0.91 0.00 0.00 -1.45 0.00 0.00 41.25 40.60 1rck s ASN 43 CO 0.19 -0.18 0.00 0.59 -3.72 0.00 0.00 177.10 173.98 1rck n ASN 44 N 3.65 -7.73 -4.73 -4.21 4.13 -1.26 -4.96 115.26 100.15 1rck n ASN 44 Ca -0.19 1.12 -0.41 0.00 1.68 0.00 0.00 54.58 56.78 1rck n ASN 44 Cb 0.56 -4.25 -0.04 0.00 -1.54 0.00 0.00 39.78 34.51 1rck n ASN 44 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 1rck s TYR 45 N -0.65 3.68 -0.58 3.10 1.13 -1.26 -5.01 117.35 117.76 1rck s TYR 45 Ca 0.00 1.67 0.06 0.00 -1.41 0.00 0.00 57.07 57.39 1rck s TYR 45 Cb 0.00 -3.19 0.21 0.00 -1.10 0.00 0.00 41.96 37.87 1rck s TYR 45 CO 0.00 -0.31 0.55 0.39 -2.51 0.00 0.00 175.55 173.67 1rck n GLU 46 N 2.53 1.57 -2.98 -3.49 1.02 -1.26 -4.84 120.64 113.19 1rck n GLU 46 Ca 0.03 -4.10 -0.12 0.00 -0.02 0.00 0.00 57.16 52.94 1rck n GLU 46 Cb 0.47 -1.99 0.06 0.00 -0.02 0.00 0.00 31.44 29.96 1rck n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rck n GLY 47 N 1.68 -0.13 3.55 0.62 0.00 -1.26 -5.04 105.19 104.61 1rck n GLY 47 Ca 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.25 -0.99 -0.18 1.61 0.08 -1.26 -5.09 117.98 108.90 1rck s PHE 48 Ca 0.02 1.75 -0.04 0.00 0.12 0.00 0.00 56.93 58.77 1rck s PHE 48 Cb -0.00 0.59 0.08 0.00 -0.57 0.00 0.00 43.02 43.12 1rck s PHE 48 CO 0.51 -0.49 0.16 0.16 -0.10 0.00 0.00 175.22 175.45 1rck s ASP 49 N 2.47 1.80 -0.34 1.36 -4.77 -1.26 -4.80 116.67 111.13 1rck s ASP 49 Ca -0.05 -0.38 0.16 0.00 -3.30 0.00 0.00 52.55 48.98 1rck s ASP 49 Cb -0.08 0.09 0.45 0.00 -1.09 0.00 0.00 42.92 42.28 1rck s ASP 49 CO -0.18 -0.33 1.04 2.22 0.70 0.00 0.00 175.17 178.62 1rck n PHE 50 N 5.30 0.35 -2.66 2.11 -1.74 -1.26 -4.92 117.46 114.64 1rck n PHE 50 Ca -0.06 -2.59 -0.33 0.00 -0.56 0.00 0.00 57.45 53.90 1rck n PHE 50 Cb 0.49 0.06 -0.05 0.00 1.52 0.00 0.00 39.48 41.50 1rck n PHE 50 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1rck s PRO 51 N -2.39 4.00 0.10 3.97 0.04 -1.26 -4.72 135.00 134.73 1rck s PRO 51 Ca 0.26 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1rck s PRO 51 Cb 0.45 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.85 1rck s PRO 51 CO 0.01 -0.24 0.00 0.28 0.04 0.00 0.00 177.00 177.09 1rck n VAL 52 N -0.86 0.00 -3.64 -0.36 0.31 -1.26 -5.11 118.33 107.41 1rck n VAL 52 Ca 0.08 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.36 1rck n VAL 52 Cb 0.53 -0.45 -0.06 0.00 -0.91 0.00 0.00 33.84 32.95 1rck n VAL 52 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1rck s ASP 53 N -4.70 -1.01 0.08 4.52 -4.77 -1.26 -5.15 116.67 104.39 1rck s ASP 53 Ca 0.00 1.53 0.01 0.00 -3.30 0.00 0.00 52.55 50.79 1rck s ASP 53 Cb 0.00 1.72 -0.04 0.00 -1.09 0.00 0.00 42.92 43.51 1rck s ASP 53 CO 0.00 -0.23 0.18 -0.83 0.70 0.00 0.00 175.17 174.99 1rck s GLY 54 N 2.09 2.05 1.18 2.12 0.00 -1.26 -4.15 107.32 109.35 1rck s GLY 54 Ca -0.09 -0.94 -0.16 0.00 0.00 0.00 0.00 44.72 43.54 1rck s GLY 54 CO -0.20 -0.92 1.05 -4.14 0.00 0.00 0.00 173.10 168.89 1rck s PRO 55 N -2.61 -1.00 0.40 2.90 0.02 -1.26 -4.98 135.00 128.47 1rck s PRO 55 Ca 0.33 0.41 0.04 0.00 0.02 0.00 0.00 61.00 61.79 1rck s PRO 55 Cb -0.12 -1.58 -0.04 0.00 0.02 0.00 0.00 34.50 32.78 1rck s PRO 55 CO 0.26 -3.67 0.07 0.71 -0.33 0.00 0.00 177.00 174.04 1rck s TYR 56 N -2.69 1.94 0.03 6.54 1.51 -1.26 -3.48 117.35 119.94 1rck s TYR 56 Ca 0.68 -1.04 -0.14 0.00 -1.01 0.00 0.00 57.07 55.56 1rck s TYR 56 Cb -0.18 -1.36 0.02 0.00 -0.11 0.00 0.00 41.96 40.33 1rck s TYR 56 CO 0.60 -0.01 0.30 1.14 -1.11 0.00 0.00 175.55 176.47 1rck s GLN 57 N -3.80 0.78 0.12 -0.62 1.03 -0.84 -1.97 119.66 114.35 1rck s GLN 57 Ca 0.25 -0.46 0.02 0.00 0.04 0.00 0.00 55.36 55.21 1rck s GLN 57 Cb 0.05 0.34 -0.04 0.00 0.03 0.00 0.00 33.01 33.39 1rck s GLN 57 CO 0.13 -0.24 0.25 -1.21 -2.54 0.00 0.00 175.29 171.68 1rck s GLU 58 N -2.34 3.42 -0.27 9.60 2.02 -0.88 -1.66 118.70 128.59 1rck s GLU 58 Ca -0.06 -0.55 -0.07 0.00 0.02 0.00 0.00 54.97 54.31 1rck s GLU 58 Cb -0.02 -2.98 0.13 0.00 0.10 0.00 0.00 34.13 31.36 1rck s GLU 58 CO -0.02 0.55 0.56 0.12 0.02 0.00 0.00 175.26 176.49 1rck s PHE 59 N -1.66 -1.22 0.40 1.61 5.36 -0.78 -4.11 117.98 117.58 1rck s PHE 59 Ca 0.35 1.89 -0.15 0.00 -0.96 0.00 0.00 56.93 58.05 1rck s PHE 59 Cb -0.12 0.57 -0.08 0.00 -0.34 0.00 0.00 43.02 43.05 1rck s PHE 59 CO 0.28 -0.67 0.83 -1.25 -1.46 0.00 0.00 175.22 172.95 1rck s PRO 60 N 2.79 3.97 0.46 10.12 0.04 -1.26 -1.37 135.00 149.75 1rck s PRO 60 Ca 0.02 0.75 0.03 0.00 0.04 0.00 0.00 61.00 61.84 1rck s PRO 60 Cb -0.13 -2.32 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 1rck s PRO 60 CO -0.18 -0.01 0.07 0.42 0.04 0.00 0.00 177.00 177.35 1rck s ILE 61 N -2.25 0.85 0.00 0.56 1.01 -1.01 -3.32 121.20 117.03 1rck s ILE 61 Ca 0.56 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 59.21 1rck s ILE 61 Cb -0.10 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.11 1rck s ILE 61 CO 0.23 0.00 0.00 1.17 0.00 0.00 0.00 174.94 176.34 1rck n LYS 62 N -1.07 0.00 -1.65 2.79 4.81 -1.18 -4.56 118.16 117.30 1rck n LYS 62 Ca -0.12 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 56.92 1rck n LYS 62 Cb 0.66 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.69 1rck n LYS 62 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1rck n SER 63 N -0.68 8.17 -0.48 3.14 7.64 -1.26 -4.16 113.62 126.00 1rck n SER 63 Ca 0.00 -2.84 0.00 0.00 1.01 0.00 0.00 58.87 57.04 1rck n SER 63 Cb 0.00 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 61.72 1rck n SER 63 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rck n GLY 64 N 2.79 0.43 2.86 0.23 0.00 -1.26 -5.12 105.19 105.12 1rck n GLY 64 Ca 0.70 -0.55 0.01 0.00 0.00 0.00 0.00 46.02 46.18 1rck n GLY 64 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rck s GLY 65 N -1.74 -1.49 -0.67 -0.02 0.00 -1.26 -5.10 107.32 97.04 1rck s GLY 65 Ca 0.00 1.02 -0.18 0.00 0.00 0.00 0.00 44.72 45.56 1rck s GLY 65 CO 0.00 4.16 0.77 0.14 0.00 0.00 0.00 173.10 178.17 1rck s VAL 66 N 1.91 4.90 -0.92 1.40 1.01 -1.26 -3.08 120.40 124.35 1rck s VAL 66 Ca 0.15 -1.25 -0.09 0.00 0.00 0.00 0.00 61.98 60.80 1rck s VAL 66 Cb 0.02 -4.53 -0.00 0.00 0.00 0.00 0.00 36.38 31.87 1rck s VAL 66 CO -0.13 -1.17 0.70 0.00 0.00 0.00 0.00 175.10 174.50 1rck n TYR 67 N 6.08 -2.22 -0.01 5.22 9.36 -1.21 -4.98 117.16 129.40 1rck n TYR 67 Ca -0.02 0.75 -0.01 0.00 3.32 0.00 0.00 57.90 61.94 1rck n TYR 67 Cb 0.44 -3.35 -0.00 0.00 -0.63 0.00 0.00 39.34 35.79 1rck n TYR 67 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1rck n THR 68 N -3.03 0.17 -3.89 2.97 -2.24 -1.26 -5.14 114.28 101.86 1rck n THR 68 Ca -0.15 0.36 0.02 0.00 -2.27 0.00 0.00 64.05 62.01 1rck n THR 68 Cb 0.60 -1.48 0.01 0.00 -2.10 0.00 0.00 70.33 67.36 1rck n THR 68 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1rck s GLY 69 N -3.20 -0.16 0.00 3.38 0.00 -1.26 -5.00 107.32 101.07 1rck s GLY 69 Ca -0.03 0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.83 1rck s GLY 69 CO 0.04 3.94 0.00 0.61 0.00 0.00 0.00 173.10 177.69 1rck n GLY 70 N -0.78 3.05 3.38 0.20 0.00 -1.26 -4.54 105.19 105.23 1rck n GLY 70 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1rck n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rck n SER 71 N 0.00 -6.42 -4.77 1.61 3.41 -1.26 -4.93 113.62 101.27 1rck n SER 71 Ca 0.00 -0.39 -0.39 0.00 -0.26 0.00 0.00 58.87 57.83 1rck n SER 71 Cb 0.00 -3.53 -0.02 0.00 -0.26 0.00 0.00 64.21 60.41 1rck n SER 71 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1rck s PRO 72 N -3.72 4.06 -0.36 4.33 0.04 -1.26 -4.99 135.00 133.09 1rck s PRO 72 Ca 0.05 1.96 0.12 0.00 0.04 0.00 0.00 61.00 63.17 1rck s PRO 72 Cb -0.01 -2.74 0.45 0.00 0.04 0.00 0.00 34.50 32.24 1rck s PRO 72 CO 0.82 -0.35 1.04 0.41 0.04 0.00 0.00 177.00 178.96 1rck n GLY 73 N 0.68 3.71 0.56 0.56 0.00 -1.26 -4.82 105.19 104.61 1rck n GLY 73 Ca 0.04 -1.98 -0.01 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.31 2.16 -3.18 4.61 0.00 -1.26 -4.79 120.51 117.74 1rck n ALA 74 Ca 0.24 -0.11 0.05 0.00 0.00 0.00 0.00 53.44 53.61 1rck n ALA 74 Cb 0.76 -0.06 -0.02 0.00 0.00 0.00 0.00 19.45 20.13 1rck n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rck s ASP 75 N -0.16 -0.31 -0.25 0.00 1.01 -1.24 -2.38 116.67 113.33 1rck s ASP 75 Ca 0.00 0.25 -0.18 0.00 0.71 0.00 0.00 52.55 53.33 1rck s ASP 75 Cb 0.00 1.29 0.07 0.00 1.01 0.00 0.00 42.92 45.29 1rck s ASP 75 CO 0.00 -0.06 0.63 -0.13 0.21 0.00 0.00 175.17 175.82 1rck s ARG 76 N 2.77 0.68 0.28 8.23 3.00 -0.90 -2.41 118.95 130.60 1rck s ARG 76 Ca -0.03 1.02 -0.08 0.00 0.00 0.00 0.00 55.73 56.65 1rck s ARG 76 Cb -0.08 0.21 -0.06 0.00 0.00 0.00 0.00 34.95 35.02 1rck s ARG 76 CO -0.11 -0.13 0.58 0.14 0.00 0.00 0.00 175.30 175.78 1rck s VAL 77 N 1.05 4.95 -0.08 3.52 -7.23 -0.47 -1.82 120.40 120.32 1rck s VAL 77 Ca -0.06 0.31 -0.01 0.00 -1.81 0.00 0.00 61.98 60.40 1rck s VAL 77 Cb -0.05 -3.69 0.03 0.00 0.56 0.00 0.00 36.38 33.23 1rck s VAL 77 CO -0.10 -0.25 0.01 -0.69 -0.31 0.00 0.00 175.10 173.76 1rck s VAL 78 N -2.02 0.37 0.53 1.32 1.01 -0.70 -1.87 120.40 119.04 1rck s VAL 78 Ca 0.46 0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.61 1rck s VAL 78 Cb -0.11 -0.56 0.06 0.00 0.00 0.00 0.00 36.38 35.77 1rck s VAL 78 CO 0.27 0.22 0.65 0.27 0.00 0.00 0.00 175.10 176.50 1rck s ILE 79 N 1.97 2.22 0.41 2.22 -4.36 -0.67 -2.09 121.20 120.90 1rck s ILE 79 Ca 0.05 -1.13 0.07 0.00 -0.26 0.00 0.00 60.65 59.38 1rck s ILE 79 Cb -0.13 -2.35 0.01 0.00 1.25 0.00 0.00 42.46 41.24 1rck s ILE 79 CO -0.05 0.00 0.56 0.20 0.24 0.00 0.00 174.94 175.88 1rck s ASN 80 N -4.50 5.73 -0.12 4.36 -0.87 -0.02 -1.99 114.94 117.54 1rck s ASN 80 Ca 0.54 -0.30 -0.06 0.00 -1.57 0.00 0.00 52.86 51.48 1rck s ASN 80 Cb -0.05 -0.87 -0.20 0.00 -0.02 0.00 0.00 41.25 40.10 1rck s ASN 80 CO 0.34 -0.69 3.45 1.07 -2.57 0.00 0.00 177.10 178.70 1rck n THR 81 N -1.83 3.09 0.00 1.60 5.66 -1.23 -4.00 114.28 117.58 1rck n THR 81 Ca 0.05 -1.81 0.00 0.00 -3.05 0.00 0.00 64.05 59.25 1rck n THR 81 Cb 0.59 -1.94 0.00 0.00 -1.55 0.00 0.00 70.33 67.43 1rck n THR 81 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1rck n ASN 82 N 2.22 0.00 0.00 1.09 3.02 -1.26 -5.05 115.26 115.28 1rck n ASN 82 Ca 0.45 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.00 1rck n ASN 82 Cb 0.84 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 1rck n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rck s GLU 84 N 0.00 4.57 -0.38 0.00 2.02 -1.26 -4.90 118.70 118.74 1rck s GLU 84 Ca 0.00 1.23 -0.29 0.00 0.02 0.00 0.00 54.97 55.93 1rck s GLU 84 Cb 0.00 -3.39 0.02 0.00 0.10 0.00 0.00 34.13 30.86 1rck s GLU 84 CO 0.00 0.20 1.21 -0.47 0.02 0.00 0.00 175.26 176.23 1rck s TYR 85 N 0.16 2.79 -0.13 1.61 5.04 -1.26 -0.84 117.35 124.71 1rck s TYR 85 Ca 0.43 0.86 -0.29 0.00 -2.44 0.00 0.00 57.07 55.64 1rck s TYR 85 Cb -0.21 -4.10 -0.26 0.00 0.35 0.00 0.00 41.96 37.73 1rck s TYR 85 CO 0.26 -1.39 0.78 0.00 -1.34 0.00 0.00 175.55 173.85 1rck h ALA 86 N 9.23 -0.01 0.00 3.97 0.00 -1.71 -3.48 119.26 127.26 1rck h ALA 86 Ca -0.24 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1rck h ALA 86 Cb 1.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1rck h ALA 86 CO 1.07 0.02 0.00 0.41 0.00 0.00 0.00 179.25 180.76 1rck n GLY 87 N 1.61 1.81 3.80 0.00 0.00 -0.91 -4.90 105.19 106.60 1rck n GLY 87 Ca -0.10 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 1rck n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rck s ALA 88 N -2.00 3.53 0.03 4.61 0.00 -1.25 -1.72 121.76 124.97 1rck s ALA 88 Ca 0.00 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.59 1rck s ALA 88 Cb 0.00 -1.27 -0.02 0.00 0.00 0.00 0.00 23.12 21.83 1rck s ALA 88 CO 0.00 0.34 -0.04 0.96 0.00 0.00 0.00 175.76 177.02 1rck s ILE 89 N -2.01 0.27 0.17 0.00 -4.36 -0.75 -1.30 121.20 113.21 1rck s ILE 89 Ca 0.32 -1.13 -0.09 0.00 -0.26 0.00 0.00 60.65 59.49 1rck s ILE 89 Cb -0.08 -0.59 -0.01 0.00 1.25 0.00 0.00 42.46 43.02 1rck s ILE 89 CO 0.24 -0.55 0.29 0.28 0.24 0.00 0.00 174.94 175.43 1rck s THR 90 N -1.87 0.06 -0.13 8.37 -1.32 -0.71 -2.13 115.64 117.92 1rck s THR 90 Ca -0.10 -1.39 -0.26 0.00 -1.21 0.00 0.00 61.69 58.73 1rck s THR 90 Cb -0.07 -1.86 -0.23 0.00 -1.51 0.00 0.00 72.50 68.83 1rck s THR 90 CO -0.02 -0.28 0.75 0.45 -2.21 0.00 0.00 174.62 173.31 1rck h HIS 91 N 2.53 -0.01 0.00 9.09 3.86 -1.71 -1.48 115.15 127.44 1rck h HIS 91 Ca -0.32 -0.00 -0.71 0.00 -1.16 0.00 0.00 60.37 58.19 1rck h HIS 91 Cb 1.23 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.65 1rck h HIS 91 CO 0.40 0.87 1.41 2.41 0.86 0.00 0.00 177.93 183.87 1rck n THR 92 N -4.65 0.00 0.00 2.45 -1.04 -1.26 -0.81 114.28 108.97 1rck n THR 92 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1rck n THR 92 Cb 0.42 -0.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.43 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 7.24 3.64 2.07 3.41 0.00 -1.26 -4.50 105.19 115.79 1rck n GLY 93 Ca 0.57 -0.98 -0.18 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 -2.27 -0.00 4.61 0.00 0.01 -5.00 120.51 117.85 1rck n ALA 94 Ca 0.00 -0.97 -0.13 0.00 0.00 0.00 0.00 53.44 52.34 1rck n ALA 94 Cb 0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 19.45 19.28 1rck n ALA 94 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1rck h SER 95 N -2.22 -0.04 0.00 0.00 4.64 -1.84 -3.49 113.55 110.60 1rck h SER 95 Ca -0.25 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 60.57 1rck h SER 95 Cb 0.76 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1rck h SER 95 CO 0.16 0.49 0.00 0.61 -0.87 0.00 0.00 176.83 177.22 1rck n GLY 96 N 0.37 -2.15 0.10 -0.77 0.00 -1.26 -4.97 105.19 96.51 1rck n GLY 96 Ca -0.09 0.67 -0.14 0.00 0.00 0.00 0.00 46.02 46.47 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 0.36 -3.78 1.61 -0.73 -1.95 -3.47 115.58 107.62 1rck h ASN 97 Ca 0.00 -0.37 -0.53 0.00 1.87 0.00 0.00 56.30 57.27 1rck h ASN 97 Cb 0.00 -0.11 0.20 0.00 0.27 0.00 0.00 38.32 38.68 1rck h ASN 97 CO 0.00 1.26 -0.16 0.59 -0.37 0.00 0.00 177.43 178.75 1rck n ASN 98 N -3.53 -0.74 -4.49 1.15 3.02 -1.26 -4.96 115.26 104.45 1rck n ASN 98 Ca -0.07 0.43 -0.25 0.00 -0.03 0.00 0.00 54.58 54.66 1rck n ASN 98 Cb 0.98 -1.34 -0.10 0.00 -0.61 0.00 0.00 39.78 38.71 1rck n ASN 98 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1rck s PHE 99 N -2.37 2.38 0.13 3.10 0.40 -1.26 -4.54 117.98 115.81 1rck s PHE 99 Ca 0.64 -0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.68 1rck s PHE 99 Cb -0.24 -1.09 -0.04 0.00 0.51 0.00 0.00 43.02 42.16 1rck s PHE 99 CO 0.61 0.63 -0.06 0.14 0.70 0.00 0.00 175.22 177.24 1rck s VAL 100 N -2.19 0.80 0.65 -0.44 -7.23 -0.56 -4.88 120.40 106.55 1rck s VAL 100 Ca 0.27 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.36 1rck s VAL 100 Cb -0.06 -1.82 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 1rck s VAL 100 CO 0.14 -0.76 1.05 -0.83 -0.31 0.00 0.00 175.10 174.39 1rck s GLY 101 N -3.10 1.65 0.12 2.32 0.00 -1.26 -1.73 107.32 105.32 1rck s GLY 101 Ca 0.16 -0.14 -0.04 0.00 0.00 0.00 0.00 44.72 44.70 1rck s GLY 101 CO -0.02 0.16 0.12 0.00 0.00 0.00 0.00 173.10 173.37 1rck n SER 103 N -0.09 -1.81 0.00 0.00 2.88 -1.26 -2.03 113.62 111.31 1rck n SER 103 Ca -0.09 -0.85 0.00 0.00 -1.33 0.00 0.00 58.87 56.61 1rck n SER 103 Cb 0.63 -3.98 0.00 0.00 -0.75 0.00 0.00 64.21 60.11 1rck n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rck n GLY 104 N -1.60 1.82 3.78 0.46 0.00 -1.26 -4.93 105.19 103.46 1rck n GLY 104 Ca -0.27 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.51 4.15 0.00 2.61 2.01 -0.86 -5.13 115.64 115.90 1rck s THR 105 Ca 0.00 1.81 0.00 0.00 0.31 0.00 0.00 61.69 63.81 1rck s THR 105 Cb 0.00 -4.02 0.00 0.00 0.01 0.00 0.00 72.50 68.49 1rck s THR 105 CO 0.00 0.17 0.00 -0.46 -0.69 0.00 0.00 174.62 173.64