#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 -1.39 -3.67 -0.43 0.00 -1.26 -4.81 120.51 108.95 1rck n ALA 3 Ca 0.00 0.31 -0.09 0.00 0.00 0.00 0.00 53.44 53.66 1rck n ALA 3 Cb 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 19.45 18.52 1rck n ALA 3 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1rck s THR 4 N -4.19 -0.45 -0.43 0.00 -1.32 -0.83 -4.89 115.64 103.53 1rck s THR 4 Ca 0.00 0.13 -0.17 0.00 -1.21 0.00 0.00 61.69 60.44 1rck s THR 4 Cb 0.00 -0.69 0.02 0.00 -1.51 0.00 0.00 72.50 70.33 1rck s THR 4 CO 0.00 0.05 0.44 -0.89 -2.21 0.00 0.00 174.62 172.01 1rck s THR 5 N 2.23 5.09 -1.37 5.08 2.01 -1.26 -1.63 115.64 125.78 1rck s THR 5 Ca -0.05 -0.38 -0.08 0.00 0.31 0.00 0.00 61.69 61.50 1rck s THR 5 Cb -0.11 -4.05 0.09 0.00 0.01 0.00 0.00 72.50 68.45 1rck s THR 5 CO -0.13 -0.44 2.34 0.00 -0.69 0.00 0.00 174.62 175.70 1rck n GLY 7 N 2.45 1.27 0.12 0.00 0.00 -1.26 -2.53 105.19 105.24 1rck n GLY 7 Ca 0.59 0.30 -0.23 0.00 0.00 0.00 0.00 46.02 46.68 1rck n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rck n SER 8 N 5.03 1.93 -4.55 1.61 3.41 -1.26 -4.80 113.62 114.98 1rck n SER 8 Ca 0.00 0.34 -0.38 0.00 -0.26 0.00 0.00 58.87 58.57 1rck n SER 8 Cb 0.00 -0.89 -0.03 0.00 -0.26 0.00 0.00 64.21 63.03 1rck n SER 8 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1rck s THR 9 N -2.43 3.25 0.24 6.66 2.01 -1.05 -4.97 115.64 119.34 1rck s THR 9 Ca -0.31 0.14 -0.14 0.00 0.31 0.00 0.00 61.69 61.70 1rck s THR 9 Cb 0.08 -3.66 -0.08 0.00 0.01 0.00 0.00 72.50 68.86 1rck s THR 9 CO 0.59 -0.64 0.63 0.21 -0.69 0.00 0.00 174.62 174.73 1rck s ASN 10 N 9.37 6.77 -0.02 3.53 2.47 -1.26 -0.79 114.94 135.02 1rck s ASN 10 Ca 0.76 1.14 0.01 0.00 0.42 0.00 0.00 52.86 55.19 1rck s ASN 10 Cb -0.14 -2.31 0.01 0.00 -1.45 0.00 0.00 41.25 37.36 1rck s ASN 10 CO 0.22 -0.06 -0.03 -0.31 -3.72 0.00 0.00 177.10 173.19 1rck s TYR 11 N -1.76 0.44 0.39 0.43 2.02 -0.65 -4.92 117.35 113.31 1rck s TYR 11 Ca 0.47 -0.08 -0.18 0.00 -0.37 0.00 0.00 57.07 56.91 1rck s TYR 11 Cb -0.12 -0.37 -0.10 0.00 -0.40 0.00 0.00 41.96 40.97 1rck s TYR 11 CO 0.19 -0.07 0.86 -1.12 -1.57 0.00 0.00 175.55 173.85 1rck s SER 12 N 0.34 6.85 0.64 2.29 0.01 -1.26 -1.97 113.70 120.59 1rck s SER 12 Ca -0.04 1.51 0.35 0.00 1.31 0.00 0.00 55.95 59.08 1rck s SER 12 Cb -0.07 -2.47 1.91 0.00 0.21 0.00 0.00 66.02 65.60 1rck s SER 12 CO -0.00 -0.31 2.13 0.00 0.41 0.00 0.00 173.24 175.46 1rck h ALA 13 N 1.98 1.38 -0.06 1.44 0.00 -1.90 -0.16 119.26 121.94 1rck h ALA 13 Ca -0.48 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 1rck h ALA 13 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1rck h ALA 13 CO 0.63 -0.22 -0.24 0.66 0.00 0.00 0.00 179.25 180.08 1rck h SER 14 N 0.00 0.32 -0.32 0.00 4.64 -1.99 -2.78 113.55 113.42 1rck h SER 14 Ca 0.03 -0.63 -0.14 0.00 -0.47 0.00 0.00 61.79 60.57 1rck h SER 14 Cb 0.40 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1rck h SER 14 CO -0.00 0.90 -0.33 -0.61 -0.87 0.00 0.00 176.83 175.92 1rck h GLN 15 N -0.24 0.85 0.19 4.77 5.75 -1.46 -0.35 115.11 124.62 1rck h GLN 15 Ca -0.01 -0.41 0.00 0.00 -0.15 0.00 0.00 58.65 58.08 1rck h GLN 15 Cb 0.88 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.41 1rck h GLN 15 CO 0.05 1.05 -0.18 0.28 -2.65 0.00 0.00 178.83 177.38 1rck h VAL 16 N 0.71 0.61 -0.22 2.39 2.07 -1.30 -2.00 116.25 118.52 1rck h VAL 16 Ca 0.07 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.52 1rck h VAL 16 Cb 0.89 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1rck h VAL 16 CO 0.08 0.00 -0.17 -0.09 0.02 0.00 0.00 177.57 177.41 1rck h ARG 17 N -0.39 0.37 0.58 1.57 1.12 -1.44 -2.07 114.38 114.12 1rck h ARG 17 Ca -0.00 -0.11 -0.03 0.00 -1.11 0.00 0.00 59.98 58.73 1rck h ARG 17 Cb 0.36 -0.04 0.01 0.00 -0.01 0.00 0.00 29.97 30.29 1rck h ARG 17 CO -0.04 0.54 -0.28 0.00 -3.11 0.00 0.00 179.97 177.09 1rck h ALA 18 N 1.48 -0.78 0.00 2.80 0.00 -0.71 -1.14 119.26 120.91 1rck h ALA 18 Ca 0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1rck h ALA 18 Cb 0.51 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1rck h ALA 18 CO 0.03 -0.81 -0.20 0.00 0.00 0.00 0.00 179.25 178.28 1rck h ALA 19 N -0.80 1.35 0.18 0.00 0.00 -1.40 -1.71 119.26 116.89 1rck h ALA 19 Ca -0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1rck h ALA 19 Cb 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1rck h ALA 19 CO 0.13 0.25 -0.09 0.00 0.00 0.00 0.00 179.25 179.54 1rck h ALA 20 N 1.80 -0.25 0.00 0.00 0.00 -1.25 -1.05 119.26 118.52 1rck h ALA 20 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1rck h ALA 20 Cb 0.44 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1rck h ALA 20 CO 0.03 -0.36 0.00 -0.97 0.00 0.00 0.00 179.25 177.94 1rck h ASN 21 N -0.80 0.00 0.04 0.00 -0.00 -1.12 -1.19 115.58 112.51 1rck h ASN 21 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.27 1rck h ASN 21 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.84 1rck h ASN 21 CO 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 177.43 177.45 1rck h ALA 22 N 2.00 -0.23 -0.98 1.57 0.00 -1.09 -2.89 119.26 117.65 1rck h ALA 22 Ca 0.00 -0.01 0.28 0.00 0.00 0.00 0.00 54.91 55.18 1rck h ALA 22 Cb 0.06 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.69 1rck h ALA 22 CO 0.00 -0.23 0.06 0.00 0.00 0.00 0.00 179.25 179.08 1rck n ALA 23 N -2.16 0.54 0.05 0.00 0.00 -0.42 -1.41 120.51 117.11 1rck n ALA 23 Ca -0.01 1.04 -0.03 0.00 0.00 0.00 0.00 53.44 54.45 1rck n ALA 23 Cb 0.02 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 1rck n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rck h GLN 25 N -0.16 0.10 0.05 0.00 4.20 -1.15 -2.36 115.11 115.78 1rck h GLN 25 Ca -0.01 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 1rck h GLN 25 Cb 0.14 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 27.90 1rck h GLN 25 CO -0.01 0.07 -0.29 1.88 -0.67 0.00 0.00 178.83 179.81 1rck h TYR 26 N 0.10 0.20 -0.01 2.96 0.05 -1.12 -3.40 116.97 115.75 1rck h TYR 26 Ca 0.32 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.96 1rck h TYR 26 Cb 1.12 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.85 1rck h TYR 26 CO -0.00 1.09 -0.15 2.48 -1.05 0.00 0.00 178.16 180.53 1rck n TYR 27 N -4.44 0.00 0.08 4.88 0.18 -0.28 -3.89 117.16 113.69 1rck n TYR 27 Ca -0.11 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.55 1rck n TYR 27 Cb 0.59 -0.05 -0.05 0.00 -0.38 0.00 0.00 39.34 39.44 1rck n TYR 27 CO 0.00 0.00 0.00 1.96 -2.08 0.00 0.00 176.86 176.74 1rck h GLN 28 N 2.07 -0.28 0.00 -3.48 4.20 -1.64 -3.45 115.11 112.54 1rck h GLN 28 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1rck h GLN 28 Cb 0.57 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1rck h GLN 28 CO 0.00 -0.19 0.00 -1.71 -0.67 0.00 0.00 178.83 176.26 1rck n ASN 29 N -5.28 0.00 -3.14 1.46 2.85 -1.26 -5.15 115.26 104.74 1rck n ASN 29 Ca -0.06 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 54.45 1rck n ASN 29 Cb 0.20 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.22 1rck n ASN 29 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1rck s ASP 30 N 0.00 -1.19 0.61 1.20 2.15 -1.25 -5.13 116.67 113.06 1rck s ASP 30 Ca 0.00 0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.00 1rck s ASP 30 Cb 0.00 1.71 0.00 0.00 -0.30 0.00 0.00 42.92 44.33 1rck s ASP 30 CO 0.00 -0.20 0.00 -0.90 -0.17 0.00 0.00 175.17 173.90 1rck n ASP 31 N 5.12 -2.93 0.00 -0.34 5.68 -1.26 -4.30 116.55 118.52 1rck n ASP 31 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.36 1rck n ASP 31 Cb 0.56 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 1rck n ASP 31 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1rck n THR 32 N -0.73 0.00 -2.92 2.12 5.66 -1.26 -4.61 114.28 112.54 1rck n THR 32 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 1rck n THR 32 Cb 0.00 -0.17 0.01 0.00 -1.55 0.00 0.00 70.33 68.62 1rck n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rck n ALA 33 N -2.41 -3.00 -0.58 1.79 0.00 -1.26 -4.87 120.51 110.18 1rck n ALA 33 Ca 0.00 0.76 0.07 0.00 0.00 0.00 0.00 53.44 54.27 1rck n ALA 33 Cb 0.00 -2.43 -0.04 0.00 0.00 0.00 0.00 19.45 16.98 1rck n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rck n GLY 34 N 0.17 -2.76 3.15 0.00 0.00 -1.26 -5.03 105.19 99.46 1rck n GLY 34 Ca 0.05 -1.30 0.06 0.00 0.00 0.00 0.00 46.02 44.82 1rck n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rck s SER 35 N -5.45 -0.24 -0.00 1.61 1.04 -1.26 -4.83 113.70 104.57 1rck s SER 35 Ca 0.00 0.06 -0.05 0.00 0.48 0.00 0.00 55.95 56.43 1rck s SER 35 Cb 0.00 1.16 -0.03 0.00 0.10 0.00 0.00 66.02 67.25 1rck s SER 35 CO 0.00 -0.04 0.65 0.28 0.98 0.00 0.00 173.24 175.11 1rck h SER 36 N 7.39 -0.17 0.00 7.02 0.02 -1.99 -3.43 113.55 122.40 1rck h SER 36 Ca -0.11 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1rck h SER 36 Cb 1.17 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1rck h SER 36 CO -0.15 -0.06 -0.28 0.35 -1.14 0.00 0.00 176.83 175.55 1rck n THR 37 N -2.84 0.00 -3.91 -2.27 -2.24 -1.26 -5.09 114.28 96.67 1rck n THR 37 Ca -0.02 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.66 1rck n THR 37 Cb 0.08 0.35 -0.09 0.00 -2.10 0.00 0.00 70.33 68.57 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 0.00 0.17 -0.44 4.78 2.02 -1.26 -4.37 117.35 118.25 1rck s TYR 38 Ca 0.00 -0.47 -0.29 0.00 -0.37 0.00 0.00 57.07 55.95 1rck s TYR 38 Cb 0.00 -0.12 0.03 0.00 -0.40 0.00 0.00 41.96 41.47 1rck s TYR 38 CO 0.00 -0.38 1.11 -1.25 -1.57 0.00 0.00 175.55 173.46 1rck s PRO 39 N -2.63 3.78 0.24 -1.71 0.04 -1.26 -4.31 135.00 129.15 1rck s PRO 39 Ca -0.05 0.64 0.10 0.00 0.04 0.00 0.00 61.00 61.74 1rck s PRO 39 Cb -0.01 -3.87 -0.05 0.00 0.04 0.00 0.00 34.50 30.61 1rck s PRO 39 CO -0.05 -1.27 -0.19 -1.01 0.04 0.00 0.00 177.00 174.53 1rck s HIS 40 N 4.24 2.09 0.74 0.56 3.76 -1.26 -4.97 115.29 120.45 1rck s HIS 40 Ca 0.47 -0.41 -0.14 0.00 -0.15 0.00 0.00 55.06 54.82 1rck s HIS 40 Cb -0.08 -0.95 0.04 0.00 1.11 0.00 0.00 32.58 32.71 1rck s HIS 40 CO 0.28 0.56 1.19 0.99 -0.85 0.00 0.00 174.74 176.91 1rck s THR 41 N -2.49 2.41 -0.21 1.30 2.01 -1.26 -2.52 115.64 114.88 1rck s THR 41 Ca 0.25 0.19 -0.29 0.00 0.31 0.00 0.00 61.69 62.16 1rck s THR 41 Cb -0.04 -2.71 0.00 0.00 0.01 0.00 0.00 72.50 69.75 1rck s THR 41 CO 0.11 -0.12 1.14 -0.47 -0.69 0.00 0.00 174.62 174.59 1rck s TYR 42 N -2.10 3.12 0.48 4.92 6.14 -0.93 -4.80 117.35 124.18 1rck s TYR 42 Ca 0.73 1.26 -0.22 0.00 0.64 0.00 0.00 57.07 59.47 1rck s TYR 42 Cb -0.27 -3.39 -0.09 0.00 0.42 0.00 0.00 41.96 38.62 1rck s TYR 42 CO 0.46 -1.02 0.90 -1.71 0.64 0.00 0.00 175.55 174.83 1rck n ASN 43 N 6.49 0.70 -4.78 4.32 5.15 -1.26 -4.99 115.26 120.88 1rck n ASN 43 Ca 0.13 0.94 -0.35 0.00 -0.60 0.00 0.00 54.58 54.69 1rck n ASN 43 Cb 0.46 -1.32 -0.03 0.00 -0.53 0.00 0.00 39.78 38.36 1rck n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1rck s ASN 44 N -0.92 6.35 0.17 1.20 2.47 -1.26 -4.83 114.94 118.13 1rck s ASN 44 Ca 0.67 2.06 0.00 0.00 0.42 0.00 0.00 52.86 56.01 1rck s ASN 44 Cb -0.52 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 36.71 1rck s ASN 44 CO 0.54 -0.78 0.00 0.00 -3.72 0.00 0.00 177.10 173.15 1rck n TYR 45 N -0.66 -1.33 -3.45 0.43 9.36 -1.26 -4.93 117.16 115.33 1rck n TYR 45 Ca 0.08 0.71 -0.18 0.00 3.32 0.00 0.00 57.90 61.83 1rck n TYR 45 Cb 0.51 -1.57 0.07 0.00 -0.63 0.00 0.00 39.34 37.72 1rck n TYR 45 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1rck n GLU 46 N -1.50 -4.93 -2.20 2.98 1.02 -1.26 -4.90 120.64 109.85 1rck n GLU 46 Ca 0.00 0.79 -0.42 0.00 -0.02 0.00 0.00 57.16 57.51 1rck n GLU 46 Cb 0.09 -5.64 -0.03 0.00 -0.02 0.00 0.00 31.44 25.84 1rck n GLU 46 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1rck s GLY 47 N -4.07 0.78 -0.47 0.62 0.00 -1.26 -4.96 107.32 97.96 1rck s GLY 47 Ca 0.14 -0.25 -0.28 0.00 0.00 0.00 0.00 44.72 44.32 1rck s GLY 47 CO 0.75 3.05 1.55 -0.12 0.00 0.00 0.00 173.10 178.34 1rck s PHE 48 N 6.72 2.14 -0.10 1.90 2.19 -1.26 -4.92 117.98 124.65 1rck s PHE 48 Ca 0.66 0.61 -0.35 0.00 0.33 0.00 0.00 56.93 58.17 1rck s PHE 48 Cb -0.15 -4.27 -0.13 0.00 -1.31 0.00 0.00 43.02 37.16 1rck s PHE 48 CO 0.29 -2.22 1.83 -0.25 1.83 0.00 0.00 175.22 176.70 1rck n ASP 49 N 9.90 3.23 -4.15 6.13 8.00 -1.26 -5.00 116.55 133.40 1rck n ASP 49 Ca 0.17 1.00 -0.16 0.00 0.71 0.00 0.00 54.79 56.51 1rck n ASP 49 Cb 0.49 -1.34 -0.11 0.00 -0.02 0.00 0.00 41.12 40.14 1rck n ASP 49 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1rck s PHE 50 N 3.71 1.03 0.89 1.24 0.08 -1.26 -4.71 117.98 118.96 1rck s PHE 50 Ca 0.93 -0.54 -0.12 0.00 0.12 0.00 0.00 56.93 57.32 1rck s PHE 50 Cb -0.76 -0.58 0.12 0.00 -0.57 0.00 0.00 43.02 41.24 1rck s PHE 50 CO 0.53 0.01 1.10 -1.25 -0.10 0.00 0.00 175.22 175.51 1rck s PRO 51 N -2.09 1.32 0.36 0.24 0.04 -1.26 -4.96 135.00 128.64 1rck s PRO 51 Ca -0.01 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.61 1rck s PRO 51 Cb -0.07 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1rck s PRO 51 CO 0.01 -2.14 0.00 1.33 0.04 0.00 0.00 177.00 176.24 1rck n VAL 52 N -3.78 0.00 -2.57 -0.36 0.24 -1.26 -4.87 118.33 105.73 1rck n VAL 52 Ca 0.07 0.32 -0.32 0.00 -2.04 0.00 0.00 64.34 62.36 1rck n VAL 52 Cb 0.57 -0.69 -0.04 0.00 -1.47 0.00 0.00 33.84 32.20 1rck n VAL 52 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1rck s ASP 53 N -6.15 6.66 0.00 -1.34 2.15 -1.26 -5.10 116.67 111.64 1rck s ASP 53 Ca 0.00 1.51 0.00 0.00 0.43 0.00 0.00 52.55 54.49 1rck s ASP 53 Cb 0.00 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 1rck s ASP 53 CO 0.00 -0.51 0.00 0.61 -0.17 0.00 0.00 175.17 175.10 1rck n GLY 54 N -1.33 1.75 3.73 2.66 0.00 -1.26 -4.79 105.19 105.94 1rck n GLY 54 Ca 0.06 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 1rck n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rck s PRO 55 N 3.54 4.26 -0.07 1.61 0.04 -1.26 -4.73 135.00 138.39 1rck s PRO 55 Ca 0.00 2.30 -0.00 0.00 0.04 0.00 0.00 61.00 63.34 1rck s PRO 55 Cb 0.00 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 1rck s PRO 55 CO 0.00 -0.47 -0.03 1.52 0.04 0.00 0.00 177.00 178.06 1rck s TYR 56 N 0.41 3.05 0.24 0.56 1.13 -1.26 -2.42 117.35 119.05 1rck s TYR 56 Ca 0.63 0.10 0.10 0.00 -1.41 0.00 0.00 57.07 56.49 1rck s TYR 56 Cb -0.42 -1.74 -0.05 0.00 -1.10 0.00 0.00 41.96 38.65 1rck s TYR 56 CO 0.39 0.41 -0.18 -0.65 -2.51 0.00 0.00 175.55 173.01 1rck s GLN 57 N -0.93 1.50 0.47 -3.49 1.11 -0.95 -2.18 119.66 115.20 1rck s GLN 57 Ca 0.14 -1.65 -0.05 0.00 0.01 0.00 0.00 55.36 53.80 1rck s GLN 57 Cb -0.11 -1.49 -0.04 0.00 -1.01 0.00 0.00 33.01 30.36 1rck s GLN 57 CO 0.03 0.28 0.77 -1.21 0.01 0.00 0.00 175.29 175.16 1rck s GLU 58 N -3.44 3.55 -0.30 2.91 8.01 -1.05 -2.51 118.70 125.88 1rck s GLU 58 Ca 0.25 0.18 -0.01 0.00 0.01 0.00 0.00 54.97 55.40 1rck s GLU 58 Cb -0.04 -2.40 0.19 0.00 -4.31 0.00 0.00 34.13 27.58 1rck s GLU 58 CO 0.11 -0.17 0.61 0.12 0.01 0.00 0.00 175.26 175.94 1rck s PHE 59 N -2.69 -1.58 0.00 1.61 5.36 -0.50 -4.37 117.98 115.81 1rck s PHE 59 Ca 0.47 1.67 -0.30 0.00 -0.96 0.00 0.00 56.93 57.81 1rck s PHE 59 Cb -0.10 0.55 -0.03 0.00 -0.34 0.00 0.00 43.02 43.10 1rck s PHE 59 CO 0.43 -0.87 1.02 -1.25 -1.46 0.00 0.00 175.22 173.09 1rck s PRO 60 N 2.86 4.53 0.58 10.12 0.04 -1.26 -1.30 135.00 150.57 1rck s PRO 60 Ca 0.20 1.47 -0.04 0.00 0.04 0.00 0.00 61.00 62.67 1rck s PRO 60 Cb -0.15 -3.45 0.12 0.00 0.04 0.00 0.00 34.50 31.07 1rck s PRO 60 CO -0.21 -0.10 0.79 1.51 0.04 0.00 0.00 177.00 179.03 1rck n ILE 61 N 3.95 0.00 -3.72 0.56 3.06 -0.85 -4.40 119.36 117.96 1rck n ILE 61 Ca 0.07 -0.95 -0.13 0.00 -2.50 0.00 0.00 62.75 59.24 1rck n ILE 61 Cb 0.50 -1.27 -0.09 0.00 0.54 0.00 0.00 39.64 39.31 1rck n ILE 61 CO 0.00 0.00 0.00 -0.75 -2.50 0.00 0.00 176.55 173.30 1rck s LYS 62 N -4.58 0.56 -1.24 9.51 2.36 -1.23 -4.83 119.74 120.29 1rck s LYS 62 Ca 0.49 0.54 -0.09 0.00 -2.55 0.00 0.00 55.97 54.36 1rck s LYS 62 Cb -0.02 0.27 -0.10 0.00 -1.05 0.00 0.00 37.83 36.93 1rck s LYS 62 CO 0.33 -0.08 3.03 0.45 1.55 0.00 0.00 175.35 180.63 1rck n SER 63 N 2.63 7.94 0.00 1.43 2.88 -1.26 -3.46 113.62 123.79 1rck n SER 63 Ca -0.14 -2.63 0.00 0.00 -1.33 0.00 0.00 58.87 54.77 1rck n SER 63 Cb 0.57 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 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 3.09 0.14 0.00 0.46 0.00 -1.26 -5.16 105.19 102.46 1rck n GLY 64 Ca 0.69 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 0.67 3.03 -0.02 0.00 -1.22 -5.12 105.19 102.53 1rck n GLY 65 Ca 0.00 -1.44 -0.20 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.80 0.80 -1.37 1.61 1.01 -1.26 -3.51 120.40 115.88 1rck s VAL 66 Ca 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 1rck s VAL 66 Cb 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.70 1rck s VAL 66 CO 0.00 0.23 0.43 0.00 0.00 0.00 0.00 175.10 175.76 1rck n TYR 67 N 2.93 -1.60 0.05 5.22 4.11 -1.26 -4.93 117.16 121.69 1rck n TYR 67 Ca -0.15 0.61 -0.20 0.00 -0.00 0.00 0.00 57.90 58.16 1rck n TYR 67 Cb 0.56 -3.45 -0.15 0.00 -0.00 0.00 0.00 39.34 36.30 1rck n TYR 67 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.86 178.65 1rck h THR 68 N -1.91 1.47 -0.91 -3.48 1.35 -1.90 -3.49 112.91 104.03 1rck h THR 68 Ca -0.65 -2.53 0.00 0.00 -0.55 0.00 0.00 66.41 62.68 1rck h THR 68 Cb 1.38 3.16 0.00 0.00 -1.73 0.00 0.00 68.15 70.96 1rck h THR 68 CO 0.61 0.72 0.00 0.61 -0.25 0.00 0.00 175.52 177.20 1rck n GLY 69 N 1.68 0.77 2.66 5.82 0.00 -1.26 -5.07 105.19 109.79 1rck n GLY 69 Ca -0.15 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 1rck n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rck n GLY 70 N -0.46 4.60 3.78 -0.02 0.00 -1.26 -5.09 105.19 106.74 1rck n GLY 70 Ca 0.00 -2.71 -0.34 0.00 0.00 0.00 0.00 46.02 42.97 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 -1.96 5.64 0.02 1.61 1.04 -1.26 -3.48 113.70 115.32 1rck s SER 71 Ca 0.34 2.04 -0.18 0.00 0.48 0.00 0.00 55.95 58.63 1rck s SER 71 Cb 0.07 -2.56 -0.24 0.00 0.10 0.00 0.00 66.02 63.39 1rck s SER 71 CO -0.05 -1.27 1.12 1.55 0.98 0.00 0.00 173.24 175.57 1rck h PRO 72 N 0.80 0.48 0.00 4.02 0.13 -2.04 -3.50 132.00 131.90 1rck h PRO 72 Ca -0.49 -0.52 0.00 0.00 -0.87 0.00 0.00 66.00 64.12 1rck h PRO 72 Cb 1.25 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1rck h PRO 72 CO 0.56 1.17 0.00 0.41 -0.23 0.00 0.00 178.00 179.91 1rck n GLY 73 N 1.09 2.15 3.05 1.56 0.00 -1.23 -4.64 105.19 107.18 1rck n GLY 73 Ca -0.11 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 -1.25 -3.15 4.61 0.00 -1.26 -4.92 120.51 114.54 1rck n ALA 74 Ca 0.00 0.18 0.04 0.00 0.00 0.00 0.00 53.44 53.66 1rck n ALA 74 Cb 0.00 -3.49 -0.00 0.00 0.00 0.00 0.00 19.45 15.96 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 -3.58 -1.54 0.04 0.00 1.47 -1.26 -2.41 116.67 109.40 1rck s ASP 75 Ca 0.28 0.26 0.03 0.00 1.18 0.00 0.00 52.55 54.30 1rck s ASP 75 Cb -0.12 2.01 -0.02 0.00 -0.34 0.00 0.00 42.92 44.45 1rck s ASP 75 CO 0.57 -0.28 -0.10 -0.13 0.68 0.00 0.00 175.17 175.91 1rck s ARG 76 N 2.84 0.62 0.01 2.11 3.00 -0.57 -2.01 118.95 124.94 1rck s ARG 76 Ca 0.12 -0.74 0.03 0.00 0.00 0.00 0.00 55.73 55.14 1rck s ARG 76 Cb -0.10 -0.48 -0.03 0.00 0.00 0.00 0.00 34.95 34.33 1rck s ARG 76 CO -0.25 0.10 -0.07 0.14 0.00 0.00 0.00 175.30 175.22 1rck s VAL 77 N -1.18 3.59 -0.09 3.52 -7.23 -0.42 -1.34 120.40 117.25 1rck s VAL 77 Ca -0.06 -0.80 -0.00 0.00 -1.81 0.00 0.00 61.98 59.30 1rck s VAL 77 Cb -0.09 -2.56 0.02 0.00 0.56 0.00 0.00 36.38 34.32 1rck s VAL 77 CO 0.01 0.39 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.45 1rck s VAL 78 N -0.99 0.75 0.31 1.32 1.01 -0.10 -1.41 120.40 121.27 1rck s VAL 78 Ca 0.17 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.06 1rck s VAL 78 Cb -0.11 -0.81 -0.06 0.00 0.00 0.00 0.00 36.38 35.40 1rck s VAL 78 CO 0.07 0.31 0.01 0.27 0.00 0.00 0.00 175.10 175.77 1rck s ILE 79 N 1.64 1.37 0.48 2.22 -4.36 -1.04 -0.98 121.20 120.52 1rck s ILE 79 Ca 0.02 -2.04 0.02 0.00 -0.26 0.00 0.00 60.65 58.38 1rck s ILE 79 Cb -0.13 -2.65 0.01 0.00 1.25 0.00 0.00 42.46 40.94 1rck s ILE 79 CO -0.05 -0.13 0.69 0.54 0.24 0.00 0.00 174.94 176.22 1rck s ASN 80 N -3.47 5.62 0.00 4.36 2.20 -0.69 -2.23 114.94 120.73 1rck s ASN 80 Ca 0.33 0.08 0.03 0.00 -0.94 0.00 0.00 52.86 52.37 1rck s ASN 80 Cb 0.07 -1.19 0.19 0.00 -2.00 0.00 0.00 41.25 38.31 1rck s ASN 80 CO 0.14 -0.85 0.81 1.07 -2.94 0.00 0.00 177.10 175.33 1rck n THR 81 N -2.12 0.00 0.00 0.54 5.66 -1.02 -3.86 114.28 113.48 1rck n THR 81 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1rck n THR 81 Cb 0.59 -0.24 0.00 0.00 -1.55 0.00 0.00 70.33 69.12 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 -0.57 0.00 -2.69 1.09 4.13 -1.26 -4.94 115.26 111.01 1rck n ASN 82 Ca 0.02 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.22 1rck n ASN 82 Cb 0.01 0.00 0.08 0.00 -1.54 0.00 0.00 39.78 38.33 1rck n ASN 82 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rck s GLU 84 N 0.16 0.56 -0.05 0.00 2.56 -1.26 -5.02 118.70 115.65 1rck s GLU 84 Ca 0.18 0.02 -0.30 0.00 0.00 0.00 0.00 54.97 54.87 1rck s GLU 84 Cb 0.29 -0.72 -0.05 0.00 2.00 0.00 0.00 34.13 35.65 1rck s GLU 84 CO -0.08 -0.15 1.52 -0.47 -0.56 0.00 0.00 175.26 175.52 1rck s TYR 85 N 1.18 2.38 -0.07 5.30 5.04 -1.26 -1.71 117.35 128.21 1rck s TYR 85 Ca -0.07 0.50 -0.07 0.00 -2.44 0.00 0.00 57.07 54.99 1rck s TYR 85 Cb -0.14 -3.78 -0.04 0.00 0.35 0.00 0.00 41.96 38.35 1rck s TYR 85 CO -0.02 -3.12 -0.15 0.00 -1.34 0.00 0.00 175.55 170.92 1rck n ALA 86 N 6.50 2.19 -2.45 3.97 0.00 -1.07 -4.97 120.51 124.67 1rck n ALA 86 Ca 0.16 -0.41 -0.26 0.00 0.00 0.00 0.00 53.44 52.92 1rck n ALA 86 Cb 0.43 0.26 -0.11 0.00 0.00 0.00 0.00 19.45 20.03 1rck n ALA 86 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rck s GLY 87 N -4.83 1.74 -0.28 0.00 0.00 -0.15 -4.54 107.32 99.26 1rck s GLY 87 Ca -0.14 -1.66 -0.00 0.00 0.00 0.00 0.00 44.72 42.91 1rck s GLY 87 CO 0.19 -1.70 0.33 0.00 0.00 0.00 0.00 173.10 171.93 1rck s ALA 88 N -1.83 -0.74 0.22 3.20 0.00 -1.26 -0.93 121.76 120.43 1rck s ALA 88 Ca 0.23 0.03 0.09 0.00 0.00 0.00 0.00 51.96 52.31 1rck s ALA 88 Cb -0.07 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1rck s ALA 88 CO 0.12 -1.63 -0.03 0.96 0.00 0.00 0.00 175.76 175.18 1rck s ILE 89 N 2.43 3.46 0.06 0.00 -4.36 -0.45 -1.37 121.20 120.96 1rck s ILE 89 Ca 0.10 -1.71 -0.21 0.00 -0.26 0.00 0.00 60.65 58.56 1rck s ILE 89 Cb -0.14 -2.78 0.05 0.00 1.25 0.00 0.00 42.46 40.84 1rck s ILE 89 CO -0.28 -0.23 0.50 0.28 0.24 0.00 0.00 174.94 175.44 1rck s THR 90 N -1.99 0.03 -2.01 8.37 -1.32 -0.18 -1.52 115.64 117.02 1rck s THR 90 Ca 0.29 -0.29 0.20 0.00 -1.21 0.00 0.00 61.69 60.68 1rck s THR 90 Cb -0.08 -0.99 0.56 0.00 -1.51 0.00 0.00 72.50 70.49 1rck s THR 90 CO 0.18 -0.16 1.76 1.41 -2.21 0.00 0.00 174.62 175.60 1rck n HIS 91 N 0.34 0.01 -0.34 9.09 8.25 -1.01 -1.60 115.22 129.96 1rck n HIS 91 Ca -0.18 -0.00 0.27 0.00 -0.26 0.00 0.00 57.72 57.54 1rck n HIS 91 Cb 0.61 0.00 0.51 0.00 1.12 0.00 0.00 29.99 32.23 1rck n HIS 91 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rck h THR 92 N 0.08 0.23 -0.90 1.59 1.03 -1.85 -1.66 112.91 111.42 1rck h THR 92 Ca 0.00 -0.08 -0.44 0.00 -0.01 0.00 0.00 66.41 65.88 1rck h THR 92 Cb 0.02 -0.03 -0.41 0.00 -1.07 0.00 0.00 68.15 66.65 1rck h THR 92 CO 0.00 0.04 -0.96 0.61 -0.01 0.00 0.00 175.52 175.21 1rck n GLY 93 N -1.31 4.07 3.67 2.99 0.00 -1.26 -4.98 105.19 108.37 1rck n GLY 93 Ca 0.33 -1.98 -0.26 0.00 0.00 0.00 0.00 46.02 44.11 1rck n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rck s ALA 94 N -3.54 3.21 -1.33 4.61 0.00 -0.63 -4.76 121.76 119.32 1rck s ALA 94 Ca 0.39 -1.39 -0.06 0.00 0.00 0.00 0.00 51.96 50.90 1rck s ALA 94 Cb 0.39 -0.99 0.12 0.00 0.00 0.00 0.00 23.12 22.65 1rck s ALA 94 CO -0.03 0.46 2.34 0.45 0.00 0.00 0.00 175.76 178.97 1rck n SER 95 N -0.20 7.71 0.00 0.00 2.88 -1.26 -4.84 113.62 117.90 1rck n SER 95 Ca -0.09 -3.12 0.00 0.00 -1.33 0.00 0.00 58.87 54.33 1rck n SER 95 Cb 0.55 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 1rck n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rck n GLY 96 N 1.91 1.20 0.31 0.46 0.00 -1.26 -4.35 105.19 103.46 1rck n GLY 96 Ca 0.60 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 46.20 1rck n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rck n ASN 97 N 3.80 1.49 -2.89 1.61 3.02 -1.26 -4.97 115.26 116.06 1rck n ASN 97 Ca 0.00 -1.18 -0.10 0.00 -0.03 0.00 0.00 54.58 53.26 1rck n ASN 97 Cb 0.00 0.47 0.09 0.00 -0.61 0.00 0.00 39.78 39.73 1rck n ASN 97 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1rck n ASN 98 N -0.55 -1.47 -3.83 6.41 3.02 -1.26 -5.04 115.26 112.54 1rck n ASN 98 Ca 0.09 -0.71 -0.11 0.00 -0.03 0.00 0.00 54.58 53.82 1rck n ASN 98 Cb 0.41 -0.35 -0.08 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.68 0.02 0.12 3.10 0.08 -1.26 -4.47 117.98 113.89 1rck s PHE 99 Ca 0.25 -0.19 -0.04 0.00 0.12 0.00 0.00 56.93 57.07 1rck s PHE 99 Cb -0.03 -0.01 -0.03 0.00 -0.57 0.00 0.00 43.02 42.39 1rck s PHE 99 CO 0.19 -0.42 0.11 0.14 -0.10 0.00 0.00 175.22 175.14 1rck s VAL 100 N -2.34 0.12 0.40 -0.44 -7.23 -0.63 -4.89 120.40 105.40 1rck s VAL 100 Ca -0.07 -1.69 -0.15 0.00 -1.81 0.00 0.00 61.98 58.27 1rck s VAL 100 Cb -0.02 -1.81 -0.08 0.00 0.56 0.00 0.00 36.38 35.02 1rck s VAL 100 CO -0.03 -0.55 0.83 -0.83 -0.31 0.00 0.00 175.10 174.21 1rck s GLY 101 N -2.98 2.17 0.00 2.32 0.00 -1.26 -1.01 107.32 106.56 1rck s GLY 101 Ca 0.17 0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.94 1rck s GLY 101 CO -0.02 0.28 0.00 0.00 0.00 0.00 0.00 173.10 173.35 1rck s SER 103 N -1.00 6.16 0.00 0.00 0.15 -0.73 -2.73 113.70 115.55 1rck s SER 103 Ca 0.00 1.54 0.00 0.00 0.70 0.00 0.00 55.95 58.19 1rck s SER 103 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1rck s SER 103 CO 0.00 -1.45 0.00 0.61 1.20 0.00 0.00 173.24 173.60 1rck n GLY 104 N 5.00 0.46 2.78 9.45 0.00 -1.26 -4.61 105.19 117.01 1rck n GLY 104 Ca 0.21 -0.37 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.55 -0.41 -1.87 2.61 2.01 -1.11 -4.93 115.64 109.40 1rck s THR 105 Ca 0.00 -0.59 0.15 0.00 0.31 0.00 0.00 61.69 61.56 1rck s THR 105 Cb 0.00 -0.92 0.12 0.00 0.01 0.00 0.00 72.50 71.71 1rck s THR 105 CO 0.00 -0.48 0.97 0.59 -0.69 0.00 0.00 174.62 175.02