#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 2.43 -0.09 7.33 0.00 -1.26 -4.51 121.76 125.66 1rck s ALA 3 Ca 0.00 0.87 -0.07 0.00 0.00 0.00 0.00 51.96 52.76 1rck s ALA 3 Cb 0.00 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.73 1rck s ALA 3 CO 0.00 -1.33 0.24 -0.08 0.00 0.00 0.00 175.76 174.59 1rck s THR 4 N -1.86 -0.01 -0.30 0.00 -1.32 -0.74 -4.81 115.64 106.59 1rck s THR 4 Ca 0.74 0.04 -0.06 0.00 -1.21 0.00 0.00 61.69 61.21 1rck s THR 4 Cb -0.27 -0.35 0.02 0.00 -1.51 0.00 0.00 72.50 70.39 1rck s THR 4 CO 0.37 0.02 0.06 0.42 -2.21 0.00 0.00 174.62 173.28 1rck s THR 5 N 0.47 3.70 -1.12 5.08 -4.23 -1.26 -1.62 115.64 116.65 1rck s THR 5 Ca -0.03 -0.92 -0.07 0.00 -1.18 0.00 0.00 61.69 59.49 1rck s THR 5 Cb -0.04 -2.97 0.28 0.00 1.34 0.00 0.00 72.50 71.10 1rck s THR 5 CO -0.02 0.01 1.34 0.00 -0.54 0.00 0.00 174.62 175.41 1rck n GLY 7 N 2.22 2.18 0.00 0.00 0.00 -1.26 -3.00 105.19 105.33 1rck n GLY 7 Ca 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1rck n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rck n SER 8 N 5.06 4.14 -4.55 1.61 7.64 -1.26 -4.98 113.62 121.29 1rck n SER 8 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 1rck n SER 8 Cb 0.00 0.44 -0.03 0.00 -1.01 0.00 0.00 64.21 63.60 1rck n SER 8 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1rck s THR 9 N -1.82 3.45 0.27 0.44 2.01 -1.16 -4.96 115.64 113.86 1rck s THR 9 Ca 0.00 0.11 -0.29 0.00 0.31 0.00 0.00 61.69 61.82 1rck s THR 9 Cb 0.00 -4.14 -0.09 0.00 0.01 0.00 0.00 72.50 68.27 1rck s THR 9 CO 0.00 -1.10 0.95 0.21 -0.69 0.00 0.00 174.62 173.99 1rck s ASN 10 N 7.31 7.50 -0.03 3.53 3.84 -1.26 -2.19 114.94 133.64 1rck s ASN 10 Ca 0.62 1.93 0.00 0.00 0.21 0.00 0.00 52.86 55.63 1rck s ASN 10 Cb -0.10 -2.60 0.03 0.00 -0.55 0.00 0.00 41.25 38.02 1rck s ASN 10 CO 0.15 0.05 -0.01 -0.31 -2.79 0.00 0.00 177.10 174.20 1rck s TYR 11 N -1.33 0.40 0.67 0.43 2.02 -0.64 -4.90 117.35 113.99 1rck s TYR 11 Ca 0.45 -0.04 -0.15 0.00 -0.37 0.00 0.00 57.07 56.96 1rck s TYR 11 Cb -0.24 -0.47 0.01 0.00 -0.40 0.00 0.00 41.96 40.85 1rck s TYR 11 CO 0.30 -0.15 1.12 -1.12 -1.57 0.00 0.00 175.55 174.12 1rck s SER 12 N 1.08 4.99 0.63 2.29 0.01 -1.26 -1.80 113.70 119.64 1rck s SER 12 Ca -0.09 2.03 0.36 0.00 1.31 0.00 0.00 55.95 59.56 1rck s SER 12 Cb -0.14 -2.55 2.03 0.00 0.21 0.00 0.00 66.02 65.57 1rck s SER 12 CO -0.02 -1.71 2.24 0.00 0.41 0.00 0.00 173.24 174.16 1rck h ALA 13 N -0.05 1.34 -0.23 1.44 0.00 -1.90 0.99 119.26 120.85 1rck h ALA 13 Ca -0.47 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.27 1rck h ALA 13 Cb 1.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1rck h ALA 13 CO 0.53 -0.09 -0.54 1.03 0.00 0.00 0.00 179.25 180.19 1rck h SER 14 N 0.00 0.77 -0.02 0.00 0.87 -1.91 -2.80 113.55 110.46 1rck h SER 14 Ca 0.02 -0.41 -0.13 0.00 -1.23 0.00 0.00 61.79 60.04 1rck h SER 14 Cb 0.16 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1rck h SER 14 CO -0.00 1.15 -0.50 1.56 -0.53 0.00 0.00 176.83 178.51 1rck h GLN 15 N 0.53 0.37 -0.19 2.24 1.08 -1.17 -0.31 115.11 117.67 1rck h GLN 15 Ca 0.01 -0.38 0.00 0.00 -1.45 0.00 0.00 58.65 56.84 1rck h GLN 15 Cb 1.11 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 1rck h GLN 15 CO 0.11 1.05 0.12 0.28 -0.95 0.00 0.00 178.83 179.44 1rck h VAL 16 N -0.15 1.07 -0.29 -0.54 2.07 -1.48 -0.47 116.25 116.46 1rck h VAL 16 Ca -0.06 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.21 1rck h VAL 16 Cb 1.21 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1rck h VAL 16 CO 0.10 0.06 -0.22 0.08 0.02 0.00 0.00 177.57 177.61 1rck h ARG 17 N 0.25 0.65 -0.24 1.57 -0.00 -1.58 -2.11 114.38 112.91 1rck h ARG 17 Ca 0.07 -0.32 -0.01 0.00 -0.00 0.00 0.00 59.98 59.72 1rck h ARG 17 Cb -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 29.96 1rck h ARG 17 CO -0.01 0.92 0.12 0.00 -0.00 0.00 0.00 179.97 181.00 1rck h ALA 18 N 0.72 0.31 -0.65 0.08 0.00 -0.96 0.16 119.26 118.92 1rck h ALA 18 Ca 0.05 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1rck h ALA 18 Cb 0.77 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1rck h ALA 18 CO 0.06 -0.14 0.43 0.00 0.00 0.00 0.00 179.25 179.60 1rck h ALA 19 N 0.99 0.83 0.00 0.00 0.00 -1.10 -1.73 119.26 118.23 1rck h ALA 19 Ca 0.08 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1rck h ALA 19 Cb 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1rck h ALA 19 CO -0.01 0.24 -0.59 0.00 0.00 0.00 0.00 179.25 178.89 1rck h ALA 20 N 1.24 0.82 0.00 0.00 0.00 -1.18 -1.60 119.26 118.55 1rck h ALA 20 Ca 0.24 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1rck h ALA 20 Cb -0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1rck h ALA 20 CO -0.06 0.73 -0.20 -0.97 0.00 0.00 0.00 179.25 178.76 1rck h ASN 21 N 0.00 0.00 0.00 0.00 -1.24 -0.23 -0.29 115.58 113.82 1rck h ASN 21 Ca -0.01 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.00 1rck h ASN 21 Cb 1.20 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.25 1rck h ASN 21 CO 0.08 0.20 -0.07 0.00 -1.29 0.00 0.00 177.43 176.35 1rck h ALA 22 N 1.80 0.01 -0.90 1.57 0.00 -1.03 -2.83 119.26 117.87 1rck h ALA 22 Ca -0.00 -0.15 0.25 0.00 0.00 0.00 0.00 54.91 55.00 1rck h ALA 22 Cb 0.73 0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.43 1rck h ALA 22 CO 0.03 0.06 0.22 0.00 0.00 0.00 0.00 179.25 179.55 1rck h ALA 23 N -0.81 1.31 0.22 0.00 0.00 -1.29 0.25 119.26 118.94 1rck h ALA 23 Ca -0.01 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1rck h ALA 23 Cb 0.25 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1rck h ALA 23 CO -0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 179.25 178.62 1rck h GLN 25 N -0.44 0.00 -0.56 0.00 5.75 -0.88 -0.56 115.11 118.42 1rck h GLN 25 Ca -0.03 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1rck h GLN 25 Cb 0.34 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.89 1rck h GLN 25 CO 0.05 0.01 0.00 0.66 -2.65 0.00 0.00 178.83 176.90 1rck n TYR 26 N -3.39 0.73 -2.93 3.99 4.01 -0.07 -4.48 117.16 115.01 1rck n TYR 26 Ca -0.03 -0.37 -0.14 0.00 -0.16 0.00 0.00 57.90 57.21 1rck n TYR 26 Cb 0.11 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.16 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 1.57 -1.75 -0.13 -0.72 4.19 -0.23 -3.83 117.16 116.27 1rck n TYR 27 Ca 0.22 -2.74 -0.17 0.00 3.31 0.00 0.00 57.90 58.52 1rck n TYR 27 Cb 0.61 0.74 -0.12 0.00 0.49 0.00 0.00 39.34 41.07 1rck n TYR 27 CO 0.00 0.00 0.00 1.04 0.91 0.00 0.00 176.86 178.81 1rck n GLN 28 N 0.80 0.63 -2.68 2.98 6.02 -1.16 -4.65 117.38 119.32 1rck n GLN 28 Ca 0.14 0.14 -0.08 0.00 -0.01 0.00 0.00 57.00 57.19 1rck n GLN 28 Cb 0.65 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.43 1rck n GLN 28 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1rck n ASN 29 N -3.23 1.62 -4.21 1.08 6.94 -1.26 -4.97 115.26 111.23 1rck n ASN 29 Ca -0.45 -2.65 -0.35 0.00 -0.02 0.00 0.00 54.58 51.11 1rck n ASN 29 Cb 0.98 -0.52 -0.03 0.00 -2.36 0.00 0.00 39.78 37.85 1rck n ASN 29 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1rck n ASP 30 N -0.16 -2.73 -3.73 0.53 5.68 -1.26 -4.96 116.55 109.91 1rck n ASP 30 Ca 0.10 -1.03 -0.19 0.00 -0.50 0.00 0.00 54.79 53.17 1rck n ASP 30 Cb 0.81 -2.72 -0.17 0.00 -1.14 0.00 0.00 41.12 37.90 1rck n ASP 30 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1rck s ASP 31 N -3.47 0.87 0.00 -1.12 1.01 -1.26 -5.10 116.67 107.59 1rck s ASP 31 Ca 0.63 0.03 0.00 0.00 0.71 0.00 0.00 52.55 53.92 1rck s ASP 31 Cb -0.34 -0.19 0.00 0.00 1.01 0.00 0.00 42.92 43.40 1rck s ASP 31 CO 0.93 -0.19 0.00 0.35 0.21 0.00 0.00 175.17 176.47 1rck n THR 32 N 4.85 0.00 0.00 -1.27 -2.24 -1.25 -4.26 114.28 110.11 1rck n THR 32 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1rck n THR 32 Cb 0.50 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 1rck n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rck n ALA 33 N -1.97 0.00 0.00 6.98 0.00 -1.26 -4.93 120.51 119.33 1rck n ALA 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rck n ALA 33 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 2.21 3.06 0.00 0.00 -1.26 -4.72 105.19 104.48 1rck n GLY 34 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 46.02 45.59 1rck n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rck n SER 35 N 2.30 -7.71 0.00 1.61 7.64 -1.26 -4.84 113.62 111.36 1rck n SER 35 Ca 0.00 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1rck n SER 35 Cb 0.00 -5.18 0.00 0.00 -1.01 0.00 0.00 64.21 58.02 1rck n SER 35 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1rck n SER 36 N -1.56 0.00 -0.12 6.43 2.88 -1.26 -4.95 113.62 115.05 1rck n SER 36 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1rck n SER 36 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1rck n SER 36 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1rck n THR 37 N 0.00 0.00 -0.73 2.46 5.66 -1.26 -5.00 114.28 115.41 1rck n THR 37 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1rck n THR 37 Cb 0.00 -0.12 0.00 0.00 -1.55 0.00 0.00 70.33 68.66 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 -0.38 -1.98 -1.65 1.09 4.02 -1.26 -4.76 117.16 112.24 1rck n TYR 38 Ca 0.00 1.05 -0.30 0.00 -0.01 0.00 0.00 57.90 58.63 1rck n TYR 38 Cb 0.06 -2.22 0.07 0.00 -0.02 0.00 0.00 39.34 37.22 1rck n TYR 38 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1rck s PRO 39 N -4.40 2.52 -0.11 -0.72 0.04 -1.26 -4.96 135.00 126.12 1rck s PRO 39 Ca 0.00 0.68 -0.30 0.00 0.04 0.00 0.00 61.00 61.42 1rck s PRO 39 Cb 0.00 -1.96 0.11 0.00 0.04 0.00 0.00 34.50 32.68 1rck s PRO 39 CO 0.00 -1.32 0.90 -3.38 0.04 0.00 0.00 177.00 173.24 1rck s HIS 40 N -3.18 -0.43 0.79 0.56 -3.43 -1.25 -4.47 115.29 103.88 1rck s HIS 40 Ca 0.59 0.67 -0.15 0.00 -0.80 0.00 0.00 55.06 55.37 1rck s HIS 40 Cb -0.13 0.46 -0.01 0.00 -1.43 0.00 0.00 32.58 31.46 1rck s HIS 40 CO 0.54 -0.44 0.53 -2.37 -2.00 0.00 0.00 174.74 170.99 1rck n THR 41 N 0.60 1.30 -3.57 -5.38 5.66 -1.26 -2.33 114.28 109.30 1rck n THR 41 Ca -0.12 -0.33 -0.29 0.00 -3.05 0.00 0.00 64.05 60.26 1rck n THR 41 Cb 0.58 -0.73 -0.15 0.00 -1.55 0.00 0.00 70.33 68.49 1rck n THR 41 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1rck s TYR 42 N -2.06 0.63 0.10 1.09 5.04 0.03 -4.74 117.35 117.45 1rck s TYR 42 Ca 0.63 -1.12 0.05 0.00 -2.44 0.00 0.00 57.07 54.19 1rck s TYR 42 Cb -0.30 -1.07 -0.03 0.00 0.35 0.00 0.00 41.96 40.91 1rck s TYR 42 CO 0.60 -0.84 -0.13 -0.80 -1.34 0.00 0.00 175.55 173.05 1rck s ASN 43 N 1.90 1.71 -1.35 4.32 0.02 -1.26 -3.95 114.94 116.33 1rck s ASN 43 Ca 0.10 -0.76 -0.03 0.00 -1.02 0.00 0.00 52.86 51.15 1rck s ASN 43 Cb -0.17 -0.04 0.02 0.00 0.02 0.00 0.00 41.25 41.08 1rck s ASN 43 CO -0.31 -0.17 0.23 -3.20 0.02 0.00 0.00 177.10 173.67 1rck n ASN 44 N 0.74 -4.71 -3.63 -1.22 5.15 -1.26 -4.93 115.26 105.39 1rck n ASN 44 Ca -0.17 -0.07 -0.27 0.00 -0.60 0.00 0.00 54.58 53.47 1rck n ASN 44 Cb 0.56 -3.92 -0.10 0.00 -0.53 0.00 0.00 39.78 35.80 1rck n ASN 44 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1rck n TYR 45 N -3.86 2.69 1.66 1.20 4.02 -1.26 -4.91 117.16 116.69 1rck n TYR 45 Ca -0.13 -4.10 0.14 0.00 -0.01 0.00 0.00 57.90 53.80 1rck n TYR 45 Cb 0.61 -0.49 0.81 0.00 -0.02 0.00 0.00 39.34 40.25 1rck n TYR 45 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 1rck n GLU 46 N 1.63 0.76 -0.25 -0.72 0.28 -1.26 -3.94 120.64 117.16 1rck n GLU 46 Ca 0.24 0.01 -0.04 0.00 -0.16 0.00 0.00 57.16 57.22 1rck n GLU 46 Cb 0.40 -1.50 0.07 0.00 1.43 0.00 0.00 31.44 31.84 1rck n GLU 46 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1rck h GLY 47 N 4.46 0.99 -5.88 -1.84 0.00 -2.02 -3.33 103.07 95.45 1rck h GLY 47 Ca 0.00 -0.33 -0.50 0.00 0.00 0.00 0.00 47.33 46.50 1rck h GLY 47 CO 0.00 0.29 -1.06 0.33 0.00 0.00 0.00 176.54 176.10 1rck n PHE 48 N -4.66 -0.57 -2.07 5.60 -0.00 -1.25 -5.09 117.46 109.42 1rck n PHE 48 Ca 0.07 -3.42 -0.14 0.00 -0.00 0.00 0.00 57.45 53.96 1rck n PHE 48 Cb 0.08 -0.13 0.08 0.00 -0.00 0.00 0.00 39.48 39.51 1rck n PHE 48 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 1rck n ASP 49 N 1.07 0.46 -3.89 -2.13 5.75 -1.25 -5.11 116.55 111.44 1rck n ASP 49 Ca 0.21 -1.47 -0.11 0.00 -0.01 0.00 0.00 54.79 53.41 1rck n ASP 49 Cb 0.58 -0.42 -0.13 0.00 -1.03 0.00 0.00 41.12 40.13 1rck n ASP 49 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1rck s PHE 50 N -1.92 0.04 0.00 2.11 0.40 -1.26 -5.10 117.98 112.25 1rck s PHE 50 Ca 0.37 -0.07 0.00 0.00 -0.60 0.00 0.00 56.93 56.63 1rck s PHE 50 Cb -0.02 -0.04 0.00 0.00 0.51 0.00 0.00 43.02 43.47 1rck s PHE 50 CO 0.25 -0.09 0.10 -0.35 0.70 0.00 0.00 175.22 175.83 1rck n PRO 51 N 2.52 0.00 0.00 0.24 -0.04 -1.26 -4.75 135.00 131.71 1rck n PRO 51 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1rck n PRO 51 Cb 0.58 -0.50 0.00 0.00 -0.04 0.00 0.00 33.50 33.54 1rck n PRO 51 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1rck n VAL 52 N -0.15 0.00 -3.32 0.52 0.31 -1.26 -4.42 118.33 110.01 1rck n VAL 52 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 1rck n VAL 52 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 1rck n VAL 52 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1rck s ASP 53 N -2.25 -0.77 0.77 4.52 2.15 -1.26 -5.18 116.67 114.65 1rck s ASP 53 Ca 0.00 0.77 -0.09 0.00 0.43 0.00 0.00 52.55 53.66 1rck s ASP 53 Cb 0.00 1.76 0.08 0.00 -0.30 0.00 0.00 42.92 44.47 1rck s ASP 53 CO 0.00 -0.15 1.11 -0.83 -0.17 0.00 0.00 175.17 175.13 1rck s GLY 54 N 2.72 1.66 0.99 2.66 0.00 -1.26 -4.52 107.32 109.57 1rck s GLY 54 Ca 0.02 -0.87 -0.13 0.00 0.00 0.00 0.00 44.72 43.74 1rck s GLY 54 CO -0.17 -0.40 1.11 2.56 0.00 0.00 0.00 173.10 176.21 1rck s PRO 55 N -5.43 0.47 0.31 2.90 0.04 -1.26 -4.91 135.00 127.12 1rck s PRO 55 Ca 0.62 0.36 0.03 0.00 0.04 0.00 0.00 61.00 62.05 1rck s PRO 55 Cb -0.10 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.63 1rck s PRO 55 CO 0.47 -2.67 0.08 0.71 0.04 0.00 0.00 177.00 175.63 1rck s TYR 56 N -3.09 1.80 -0.03 0.56 1.51 -1.25 -2.67 117.35 114.18 1rck s TYR 56 Ca 0.66 -1.07 -0.15 0.00 -1.01 0.00 0.00 57.07 55.49 1rck s TYR 56 Cb -0.16 -1.14 0.03 0.00 -0.11 0.00 0.00 41.96 40.57 1rck s TYR 56 CO 0.56 -0.14 0.33 1.14 -1.11 0.00 0.00 175.55 176.33 1rck s GLN 57 N -3.92 0.64 0.53 -0.62 0.00 -0.90 -0.79 119.66 114.61 1rck s GLN 57 Ca 0.36 -0.07 -0.16 0.00 -0.00 0.00 0.00 55.36 55.49 1rck s GLN 57 Cb 0.08 0.29 -0.07 0.00 0.00 0.00 0.00 33.01 33.31 1rck s GLN 57 CO 0.15 -0.17 1.00 -1.21 0.00 0.00 0.00 175.29 175.06 1rck s GLU 58 N -1.10 3.86 -0.29 9.60 2.02 -0.98 -1.61 118.70 130.19 1rck s GLU 58 Ca -0.11 0.95 0.04 0.00 0.02 0.00 0.00 54.97 55.87 1rck s GLU 58 Cb -0.05 -2.12 0.20 0.00 0.10 0.00 0.00 34.13 32.26 1rck s GLU 58 CO 0.04 -0.35 0.61 0.12 0.02 0.00 0.00 175.26 175.70 1rck s PHE 59 N -2.67 -1.77 -0.07 1.61 5.36 -0.28 -3.93 117.98 116.24 1rck s PHE 59 Ca 0.59 1.19 -0.30 0.00 -0.96 0.00 0.00 56.93 57.45 1rck s PHE 59 Cb -0.10 0.36 -0.02 0.00 -0.34 0.00 0.00 43.02 42.92 1rck s PHE 59 CO 0.34 -1.02 1.05 -1.25 -1.46 0.00 0.00 175.22 172.88 1rck s PRO 60 N 2.84 4.43 0.72 10.12 0.04 -1.26 -0.94 135.00 150.94 1rck s PRO 60 Ca 0.13 1.47 -0.11 0.00 0.04 0.00 0.00 61.00 62.52 1rck s PRO 60 Cb -0.11 -3.52 0.02 0.00 0.04 0.00 0.00 34.50 30.93 1rck s PRO 60 CO -0.25 -0.30 1.10 -1.50 0.04 0.00 0.00 177.00 176.09 1rck s ILE 61 N 1.84 3.45 -0.01 0.56 1.10 -0.79 -4.50 121.20 122.85 1rck s ILE 61 Ca 0.51 0.47 -0.04 0.00 -0.51 0.00 0.00 60.65 61.08 1rck s ILE 61 Cb -0.21 -3.43 0.00 0.00 0.15 0.00 0.00 42.46 38.98 1rck s ILE 61 CO 0.21 -0.62 0.09 -0.54 -2.11 0.00 0.00 174.94 171.97 1rck s LYS 62 N -5.32 0.29 -1.18 3.50 -0.14 -1.26 -4.81 119.74 110.82 1rck s LYS 62 Ca 0.58 -0.20 -0.07 0.00 -1.36 0.00 0.00 55.97 54.92 1rck s LYS 62 Cb -0.12 0.12 -0.01 0.00 -1.68 0.00 0.00 37.83 36.14 1rck s LYS 62 CO 0.52 -0.06 2.79 -1.13 -0.76 0.00 0.00 175.35 176.72 1rck n SER 63 N 2.18 7.81 0.00 2.83 3.41 -1.26 -3.57 113.62 125.02 1rck n SER 63 Ca -0.18 -2.86 0.00 0.00 -0.26 0.00 0.00 58.87 55.56 1rck n SER 63 Cb 0.57 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 1rck n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rck n GLY 64 N 2.39 -0.06 0.00 5.00 0.00 -1.26 -5.16 105.19 106.10 1rck n GLY 64 Ca 0.65 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 -1.08 -0.66 3.85 -0.02 0.00 -1.23 -5.09 105.19 100.95 1rck n GLY 65 Ca 0.00 0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1rck n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rck s VAL 66 N -1.04 2.65 0.39 1.61 0.11 -1.26 -4.03 120.40 118.84 1rck s VAL 66 Ca 0.00 0.21 -0.27 0.00 -2.93 0.00 0.00 61.98 59.00 1rck s VAL 66 Cb 0.00 -3.10 -0.09 0.00 -1.53 0.00 0.00 36.38 31.66 1rck s VAL 66 CO 0.00 -0.28 1.33 -0.72 -3.33 0.00 0.00 175.10 172.10 1rck s TYR 67 N -3.36 2.81 -0.10 1.54 1.13 -1.26 -4.84 117.35 113.26 1rck s TYR 67 Ca 0.61 1.38 -0.00 0.00 -1.41 0.00 0.00 57.07 57.64 1rck s TYR 67 Cb -0.13 -3.73 0.02 0.00 -1.10 0.00 0.00 41.96 37.03 1rck s TYR 67 CO 0.52 -2.21 -0.06 0.99 -2.51 0.00 0.00 175.55 172.28 1rck s THR 68 N -1.22 0.89 0.00 -3.49 2.01 -1.26 -4.92 115.64 107.65 1rck s THR 68 Ca 0.55 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.34 1rck s THR 68 Cb -0.40 -0.93 0.00 0.00 0.01 0.00 0.00 72.50 71.18 1rck s THR 68 CO 0.52 0.34 0.00 0.61 -0.69 0.00 0.00 174.62 175.40 1rck n GLY 69 N 4.91 1.93 0.00 4.40 0.00 -1.26 -4.83 105.19 110.33 1rck n GLY 69 Ca -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 0.72 1.83 -0.02 0.00 -1.26 -4.93 105.19 101.52 1rck n GLY 70 Ca 0.00 -0.83 0.13 0.00 0.00 0.00 0.00 46.02 45.32 1rck n GLY 70 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rck n SER 71 N 0.00 -6.22 -4.43 1.61 2.88 -1.26 -4.84 113.62 101.36 1rck n SER 71 Ca 0.00 1.03 -0.33 0.00 -1.33 0.00 0.00 58.87 58.24 1rck n SER 71 Cb 0.00 -2.89 0.12 0.00 -0.75 0.00 0.00 64.21 60.69 1rck n SER 71 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1rck n PRO 72 N -3.21 -0.25 0.00 -1.46 -0.02 -1.26 -5.01 135.00 123.79 1rck n PRO 72 Ca 0.01 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1rck n PRO 72 Cb 0.44 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 1.45 -1.81 0.40 -1.23 0.00 -1.26 -5.06 105.19 97.69 1rck n GLY 73 Ca 0.07 0.93 0.20 0.00 0.00 0.00 0.00 46.02 47.21 1rck n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rck h ALA 74 N 0.00 2.17 -2.10 4.61 0.00 -1.95 -3.39 119.26 118.61 1rck h ALA 74 Ca 0.00 0.04 -0.57 0.00 0.00 0.00 0.00 54.91 54.38 1rck h ALA 74 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1rck h ALA 74 CO 0.00 -0.50 0.94 -0.51 0.00 0.00 0.00 179.25 179.17 1rck s ASP 75 N -5.49 6.84 -0.07 0.00 1.01 -1.26 -2.39 116.67 115.31 1rck s ASP 75 Ca -0.09 1.58 -0.04 0.00 0.71 0.00 0.00 52.55 54.70 1rck s ASP 75 Cb 0.24 -2.54 0.03 0.00 1.01 0.00 0.00 42.92 41.66 1rck s ASP 75 CO 0.79 -0.87 0.17 -0.60 0.21 0.00 0.00 175.17 174.87 1rck s ARG 76 N 3.74 0.15 -0.01 8.23 3.52 -0.11 -1.88 118.95 132.58 1rck s ARG 76 Ca 0.56 0.36 -0.03 0.00 -0.13 0.00 0.00 55.73 56.49 1rck s ARG 76 Cb -0.21 -0.07 -0.04 0.00 -1.56 0.00 0.00 34.95 33.07 1rck s ARG 76 CO 0.18 -0.11 0.18 0.14 -0.81 0.00 0.00 175.30 174.87 1rck s VAL 77 N 0.80 5.42 -0.03 7.11 -7.23 -0.12 -1.21 120.40 125.15 1rck s VAL 77 Ca -0.06 -0.15 0.03 0.00 -1.81 0.00 0.00 61.98 59.99 1rck s VAL 77 Cb -0.08 -3.52 -0.00 0.00 0.56 0.00 0.00 36.38 33.34 1rck s VAL 77 CO -0.04 0.34 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.29 1rck s VAL 78 N -1.31 0.93 0.47 1.32 1.01 -0.95 -1.12 120.40 120.75 1rck s VAL 78 Ca 0.27 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.84 1rck s VAL 78 Cb -0.13 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1rck s VAL 78 CO 0.18 0.28 0.14 0.27 0.00 0.00 0.00 175.10 175.97 1rck s ILE 79 N 0.08 1.79 0.29 2.22 -4.36 -0.63 -0.92 121.20 119.66 1rck s ILE 79 Ca -0.02 -1.80 0.06 0.00 -0.26 0.00 0.00 60.65 58.63 1rck s ILE 79 Cb -0.08 -2.59 -0.02 0.00 1.25 0.00 0.00 42.46 41.01 1rck s ILE 79 CO 0.01 0.00 0.42 0.20 0.24 0.00 0.00 174.94 175.80 1rck s ASN 80 N -3.93 6.14 0.00 4.36 0.01 0.00 -2.12 114.94 119.41 1rck s ASN 80 Ca 0.28 -0.06 0.00 0.00 -0.71 0.00 0.00 52.86 52.37 1rck s ASN 80 Cb 0.03 -1.54 0.00 0.00 0.41 0.00 0.00 41.25 40.15 1rck s ASN 80 CO 0.16 -0.25 1.21 1.07 -1.51 0.00 0.00 177.10 177.77 1rck n THR 81 N -1.53 1.21 0.00 1.60 5.66 -1.09 -3.90 114.28 116.24 1rck n THR 81 Ca -0.04 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1rck n THR 81 Cb 0.58 -1.11 0.00 0.00 -1.55 0.00 0.00 70.33 68.24 1rck n THR 81 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1rck n ASN 82 N 0.79 0.00 0.00 1.09 0.23 -1.26 -4.96 115.26 111.15 1rck n ASN 82 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1rck n ASN 82 Cb 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 1rck n ASN 82 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1rck s GLU 84 N 0.00 4.80 -0.21 0.00 2.12 -1.26 -4.87 118.70 119.28 1rck s GLU 84 Ca 0.00 1.54 -0.28 0.00 0.36 0.00 0.00 54.97 56.59 1rck s GLU 84 Cb 0.00 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 31.11 1rck s GLU 84 CO 0.00 0.42 0.96 -0.47 -0.54 0.00 0.00 175.26 175.63 1rck s TYR 85 N -0.99 3.37 -0.10 5.30 5.04 -1.26 -0.82 117.35 127.89 1rck s TYR 85 Ca 0.43 1.38 -0.03 0.00 -2.44 0.00 0.00 57.07 56.41 1rck s TYR 85 Cb -0.27 -3.17 -0.02 0.00 0.35 0.00 0.00 41.96 38.85 1rck s TYR 85 CO 0.33 -0.40 0.08 0.00 -1.34 0.00 0.00 175.55 174.22 1rck h ALA 86 N 7.44 -0.02 0.00 3.97 0.00 -1.33 -3.48 119.26 125.85 1rck h ALA 86 Ca -0.23 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1rck h ALA 86 Cb 1.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1rck h ALA 86 CO 0.92 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 180.56 1rck n GLY 87 N 1.72 0.87 3.67 0.00 0.00 -1.05 -5.02 105.19 105.37 1rck n GLY 87 Ca -0.01 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 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 3.55 0.15 4.61 0.00 -1.26 -2.24 121.76 124.57 1rck s ALA 88 Ca 0.00 -0.46 0.05 0.00 0.00 0.00 0.00 51.96 51.55 1rck s ALA 88 Cb 0.00 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 1rck s ALA 88 CO 0.00 -0.37 -0.11 0.96 0.00 0.00 0.00 175.76 176.24 1rck s ILE 89 N 1.47 1.22 0.04 0.00 -4.36 -0.35 -1.29 121.20 117.93 1rck s ILE 89 Ca 0.22 -2.05 -0.20 0.00 -0.26 0.00 0.00 60.65 58.36 1rck s ILE 89 Cb -0.15 -1.84 0.04 0.00 1.25 0.00 0.00 42.46 41.76 1rck s ILE 89 CO 0.09 -0.72 0.45 0.28 0.24 0.00 0.00 174.94 175.28 1rck s THR 90 N -3.23 0.05 -1.87 8.37 -1.32 -0.22 -0.94 115.64 116.48 1rck s THR 90 Ca 0.17 -0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.26 1rck s THR 90 Cb 0.02 -0.94 0.00 0.00 -1.51 0.00 0.00 72.50 70.07 1rck s THR 90 CO 0.01 -0.21 0.91 1.41 -2.21 0.00 0.00 174.62 174.53 1rck n HIS 91 N 0.55 0.00 0.01 9.09 -0.00 -1.01 -1.70 115.22 122.16 1rck n HIS 91 Ca -0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.53 1rck n HIS 91 Cb 0.60 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.99 30.57 1rck n HIS 91 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.34 177.49 1rck h THR 92 N 0.00 0.00 -0.00 1.59 2.02 -1.91 -3.09 112.91 111.52 1rck h THR 92 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1rck h THR 92 Cb 0.07 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.48 1rck h THR 92 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1rck n GLY 93 N -1.02 -0.97 3.80 2.16 0.00 -1.26 -4.89 105.19 103.01 1rck n GLY 93 Ca -0.00 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.00 2.56 0.04 4.61 0.00 -1.17 -4.91 121.76 120.89 1rck s ALA 94 Ca 0.32 0.17 -0.21 0.00 0.00 0.00 0.00 51.96 52.24 1rck s ALA 94 Cb 0.15 -3.21 -0.14 0.00 0.00 0.00 0.00 23.12 19.91 1rck s ALA 94 CO 0.24 -1.34 1.36 1.03 0.00 0.00 0.00 175.76 177.04 1rck h SER 95 N -0.72 0.36 0.00 0.00 0.87 -1.88 -3.48 113.55 108.70 1rck h SER 95 Ca -0.44 -0.46 0.00 0.00 -1.23 0.00 0.00 61.79 59.66 1rck h SER 95 Cb 1.22 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1rck h SER 95 CO 0.55 0.75 0.00 0.61 -0.53 0.00 0.00 176.83 178.21 1rck n GLY 96 N 0.15 -1.39 1.08 5.77 0.00 -1.26 -4.95 105.19 104.59 1rck n GLY 96 Ca -0.06 0.55 0.05 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.31 3.10 -1.88 1.61 3.02 -1.26 -4.91 115.26 114.63 1rck n ASN 97 Ca 0.00 -2.29 0.00 0.00 -0.03 0.00 0.00 54.58 52.26 1rck n ASN 97 Cb 0.00 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 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 0.56 0.00 -3.85 6.41 3.02 -1.26 -5.12 115.26 115.03 1rck n ASN 98 Ca 0.16 -0.82 -0.09 0.00 -0.03 0.00 0.00 54.58 53.80 1rck n ASN 98 Cb 0.60 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.70 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 0.30 0.12 0.15 3.10 0.08 -1.26 -4.49 117.98 115.99 1rck s PHE 99 Ca 0.00 -0.53 -0.00 0.00 0.12 0.00 0.00 56.93 56.52 1rck s PHE 99 Cb 0.00 -0.04 -0.04 0.00 -0.57 0.00 0.00 43.02 42.37 1rck s PHE 99 CO 0.00 -0.54 0.05 0.14 -0.10 0.00 0.00 175.22 174.77 1rck s VAL 100 N -3.72 0.25 0.01 -0.44 -7.23 -0.69 -4.75 120.40 103.84 1rck s VAL 100 Ca 0.04 -1.94 -0.17 0.00 -1.81 0.00 0.00 61.98 58.10 1rck s VAL 100 Cb 0.04 -2.12 -0.06 0.00 0.56 0.00 0.00 36.38 34.81 1rck s VAL 100 CO -0.10 -0.42 0.47 -0.83 -0.31 0.00 0.00 175.10 173.91 1rck s GLY 101 N -3.10 2.54 0.00 2.32 0.00 -1.26 -1.05 107.32 106.77 1rck s GLY 101 Ca 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.85 1rck s GLY 101 CO 0.03 0.34 0.00 0.00 0.00 0.00 0.00 173.10 173.48 1rck s SER 103 N -1.00 6.92 -0.83 0.00 0.15 -1.08 -2.82 113.70 115.04 1rck s SER 103 Ca 0.00 2.38 -0.02 0.00 0.70 0.00 0.00 55.95 59.01 1rck s SER 103 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1rck s SER 103 CO 0.00 -0.51 0.28 0.61 1.20 0.00 0.00 173.24 174.82 1rck n GLY 104 N 2.36 0.04 2.83 9.45 0.00 -1.26 -4.62 105.19 113.99 1rck n GLY 104 Ca 0.06 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.83 -0.50 -2.00 2.61 2.01 -1.13 -4.88 115.64 108.93 1rck s THR 105 Ca 0.14 -0.26 0.24 0.00 0.31 0.00 0.00 61.69 62.12 1rck s THR 105 Cb -0.06 -0.89 0.68 0.00 0.01 0.00 0.00 72.50 72.24 1rck s THR 105 CO 0.17 -0.29 1.80 -3.20 -0.69 0.00 0.00 174.62 172.41