#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 0.86 -3.01 -0.43 0.00 -1.26 -4.49 120.51 112.17 1rck n ALA 3 Ca 0.00 0.34 -0.44 0.00 0.00 0.00 0.00 53.44 53.33 1rck n ALA 3 Cb 0.00 -2.43 -0.02 0.00 0.00 0.00 0.00 19.45 17.00 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 3.20 4.98 -0.71 0.00 -4.23 -0.41 -4.59 115.64 113.88 1rck s THR 4 Ca 0.90 -1.98 -0.19 0.00 -1.18 0.00 0.00 61.69 59.23 1rck s THR 4 Cb -0.72 -4.74 0.11 0.00 1.34 0.00 0.00 72.50 68.48 1rck s THR 4 CO 0.49 -1.43 0.88 -0.89 -0.54 0.00 0.00 174.62 173.12 1rck s THR 5 N 1.92 4.73 -1.09 3.99 2.01 -1.26 -1.98 115.64 123.96 1rck s THR 5 Ca 0.32 -1.08 -0.11 0.00 0.31 0.00 0.00 61.69 61.13 1rck s THR 5 Cb -0.06 -4.61 0.25 0.00 0.01 0.00 0.00 72.50 68.10 1rck s THR 5 CO -0.08 -1.30 1.11 0.00 -0.69 0.00 0.00 174.62 173.67 1rck n GLY 7 N 3.13 1.94 0.00 0.00 0.00 -1.26 -2.11 105.19 106.89 1rck n GLY 7 Ca 0.24 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 5.10 4.47 -4.56 1.61 3.41 -1.26 -4.94 113.62 117.46 1rck n SER 8 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 1rck n SER 8 Cb 0.00 0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 64.67 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 -1.82 3.78 -0.08 6.66 2.01 -0.90 -4.96 115.64 120.32 1rck s THR 9 Ca 0.00 -0.50 -0.26 0.00 0.31 0.00 0.00 61.69 61.24 1rck s THR 9 Cb 0.00 -4.79 -0.03 0.00 0.01 0.00 0.00 72.50 67.69 1rck s THR 9 CO 0.00 -1.69 0.82 0.20 -0.69 0.00 0.00 174.62 173.25 1rck s ASN 10 N 5.56 7.08 -0.04 3.53 -0.87 -1.26 -2.02 114.94 126.92 1rck s ASN 10 Ca 0.50 1.31 0.04 0.00 -1.57 0.00 0.00 52.86 53.14 1rck s ASN 10 Cb -0.03 -2.47 0.00 0.00 -0.02 0.00 0.00 41.25 38.74 1rck s ASN 10 CO -0.04 -0.24 -0.15 -0.31 -2.57 0.00 0.00 177.10 173.79 1rck s TYR 11 N 1.28 1.53 0.61 2.20 2.02 -0.84 -4.90 117.35 119.26 1rck s TYR 11 Ca 0.42 -0.45 -0.17 0.00 -0.37 0.00 0.00 57.07 56.49 1rck s TYR 11 Cb -0.18 -1.05 -0.02 0.00 -0.40 0.00 0.00 41.96 40.30 1rck s TYR 11 CO 0.19 -0.17 1.13 -1.54 -1.57 0.00 0.00 175.55 173.58 1rck s SER 12 N 0.17 5.32 0.63 2.29 1.04 -1.26 -1.29 113.70 120.59 1rck s SER 12 Ca -0.06 2.10 0.35 0.00 0.48 0.00 0.00 55.95 58.82 1rck s SER 12 Cb -0.12 -2.57 1.97 0.00 0.10 0.00 0.00 66.02 65.41 1rck s SER 12 CO 0.02 -1.49 2.22 0.00 0.98 0.00 0.00 173.24 174.97 1rck h ALA 13 N 0.52 1.40 0.05 5.32 0.00 -1.90 0.11 119.26 124.76 1rck h ALA 13 Ca -0.48 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.18 1rck h ALA 13 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1rck h ALA 13 CO 0.55 -0.12 -1.06 0.66 0.00 0.00 0.00 179.25 179.29 1rck h SER 14 N 0.00 0.50 0.11 0.00 4.64 -1.92 -2.82 113.55 114.06 1rck h SER 14 Ca 0.02 -0.44 -0.12 0.00 -0.47 0.00 0.00 61.79 60.78 1rck h SER 14 Cb 0.20 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1rck h SER 14 CO -0.00 1.28 -0.40 -0.61 -0.87 0.00 0.00 176.83 176.22 1rck h GLN 15 N 0.17 0.38 0.04 4.77 5.75 -1.15 0.44 115.11 125.51 1rck h GLN 15 Ca -0.10 -0.18 -0.00 0.00 -0.15 0.00 0.00 58.65 58.21 1rck h GLN 15 Cb 1.73 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.27 1rck h GLN 15 CO 0.18 0.72 -0.02 0.28 -2.65 0.00 0.00 178.83 177.34 1rck h VAL 16 N 0.32 1.20 -0.82 2.39 2.07 -1.45 -0.81 116.25 119.15 1rck h VAL 16 Ca 0.03 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1rck h VAL 16 Cb 0.85 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 1rck h VAL 16 CO 0.07 0.19 0.45 -0.09 0.02 0.00 0.00 177.57 178.21 1rck h ARG 17 N -0.39 1.13 0.12 1.57 1.12 -1.43 0.62 114.38 117.13 1rck h ARG 17 Ca -0.01 -0.13 -0.01 0.00 -1.11 0.00 0.00 59.98 58.73 1rck h ARG 17 Cb 0.36 -0.22 0.00 0.00 -0.01 0.00 0.00 29.97 30.10 1rck h ARG 17 CO 0.01 0.83 -0.06 0.00 -3.11 0.00 0.00 179.97 177.64 1rck h ALA 18 N 1.35 -0.16 0.00 2.80 0.00 -0.84 -0.69 119.26 121.72 1rck h ALA 18 Ca 0.29 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1rck h ALA 18 Cb 0.03 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1rck h ALA 18 CO -0.05 -0.43 -0.11 0.00 0.00 0.00 0.00 179.25 178.66 1rck h ALA 19 N 0.34 1.20 0.12 0.00 0.00 -0.99 -1.40 119.26 118.53 1rck h ALA 19 Ca -0.02 -0.10 -0.25 0.00 0.00 0.00 0.00 54.91 54.54 1rck h ALA 19 Cb 0.39 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.19 1rck h ALA 19 CO 0.03 0.14 -1.06 0.00 0.00 0.00 0.00 179.25 178.36 1rck h ALA 20 N 1.89 -0.03 0.00 0.00 0.00 -0.68 -0.12 119.26 120.31 1rck h ALA 20 Ca -0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 1rck h ALA 20 Cb 0.38 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1rck h ALA 20 CO 0.01 0.56 -0.04 -0.91 0.00 0.00 0.00 179.25 178.87 1rck h ASN 21 N 0.06 0.00 0.05 0.00 4.21 -0.87 -0.25 115.58 118.79 1rck h ASN 21 Ca -0.17 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.34 1rck h ASN 21 Cb 1.77 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.98 1rck h ASN 21 CO 0.20 0.04 -0.03 0.00 -1.29 0.00 0.00 177.43 176.36 1rck h ALA 22 N 1.96 -0.12 -0.99 -0.83 0.00 -1.15 -2.89 119.26 115.24 1rck h ALA 22 Ca -0.00 -0.02 0.31 0.00 0.00 0.00 0.00 54.91 55.20 1rck h ALA 22 Cb 0.46 0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.10 1rck h ALA 22 CO 0.01 -0.11 0.14 0.00 0.00 0.00 0.00 179.25 179.29 1rck n ALA 23 N -2.43 0.63 0.27 0.00 0.00 -0.07 -0.38 120.51 118.53 1rck n ALA 23 Ca -0.01 1.05 -0.17 0.00 0.00 0.00 0.00 53.44 54.31 1rck n ALA 23 Cb 0.03 -0.83 -0.09 0.00 0.00 0.00 0.00 19.45 18.55 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 -0.92 0.75 0.00 0.00 5.75 -0.81 -3.23 115.11 116.66 1rck h GLN 25 Ca -0.05 -0.23 0.00 0.00 -0.15 0.00 0.00 58.65 58.23 1rck h GLN 25 Cb 0.81 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.28 1rck h GLN 25 CO -0.07 0.81 -0.32 0.98 -2.65 0.00 0.00 178.83 177.58 1rck n TYR 26 N -4.19 0.02 -0.06 3.99 9.36 0.49 -2.51 117.16 124.26 1rck n TYR 26 Ca 0.02 0.01 -0.04 0.00 3.32 0.00 0.00 57.90 61.20 1rck n TYR 26 Cb 0.33 -0.36 -0.01 0.00 -0.63 0.00 0.00 39.34 38.67 1rck n TYR 26 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 1rck n TYR 27 N -1.52 0.75 0.00 2.98 9.36 0.28 -3.71 117.16 125.30 1rck n TYR 27 Ca 0.06 0.33 0.00 0.00 3.32 0.00 0.00 57.90 61.61 1rck n TYR 27 Cb 0.34 -0.68 0.00 0.00 -0.63 0.00 0.00 39.34 38.37 1rck n TYR 27 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1rck n GLN 28 N -4.26 0.85 -0.02 2.98 6.02 -1.25 -4.67 117.38 117.03 1rck n GLN 28 Ca -0.06 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.80 1rck n GLN 28 Cb 0.24 -0.06 -0.07 0.00 1.02 0.00 0.00 30.24 31.36 1rck n GLN 28 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1rck h ASN 29 N 0.00 0.14 -0.38 1.08 -0.73 -1.67 -3.45 115.58 110.57 1rck h ASN 29 Ca 0.00 -0.32 0.22 0.00 1.87 0.00 0.00 56.30 58.07 1rck h ASN 29 Cb 0.00 -0.04 -0.21 0.00 0.27 0.00 0.00 38.32 38.35 1rck h ASN 29 CO 0.00 0.43 0.08 -0.62 -0.37 0.00 0.00 177.43 176.94 1rck s ASP 30 N -5.66 -0.54 0.00 1.15 2.15 -1.04 -5.08 116.67 107.64 1rck s ASP 30 Ca -0.15 0.30 0.00 0.00 0.43 0.00 0.00 52.55 53.13 1rck s ASP 30 Cb 0.04 1.44 0.00 0.00 -0.30 0.00 0.00 42.92 44.10 1rck s ASP 30 CO 0.69 -0.10 0.00 -0.90 -0.17 0.00 0.00 175.17 174.69 1rck n ASP 31 N 5.43 0.00 0.00 -0.34 5.68 -1.26 -4.44 116.55 121.62 1rck n ASP 31 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.25 1rck n ASP 31 Cb 0.54 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 1rck n ASP 31 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1rck n THR 32 N -0.24 0.00 0.00 2.12 -2.24 -1.24 -3.89 114.28 108.78 1rck n THR 32 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1rck n THR 32 Cb 0.00 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 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 -2.12 0.00 -2.47 6.98 0.00 -1.26 -4.53 120.51 117.12 1rck n ALA 33 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1rck n ALA 33 Cb 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 1rck n ALA 33 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rck s GLY 34 N -3.26 1.17 0.00 0.00 0.00 -1.26 -4.74 107.32 99.23 1rck s GLY 34 Ca 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 44.72 42.33 1rck s GLY 34 CO 0.00 2.87 0.00 -1.14 0.00 0.00 0.00 173.10 174.83 1rck n SER 35 N 9.77 0.00 0.00 1.64 3.41 -1.26 -5.15 113.62 122.03 1rck n SER 35 Ca 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1rck n SER 35 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1rck n SER 35 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1rck n SER 36 N 0.00 0.00 -0.54 4.04 7.64 -1.26 -4.97 113.62 118.53 1rck n SER 36 Ca 0.00 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.01 1rck n SER 36 Cb 0.00 0.02 0.47 0.00 -1.01 0.00 0.00 64.21 63.69 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 -0.99 0.03 -3.31 0.44 5.66 -1.26 -4.63 114.28 110.22 1rck n THR 37 Ca 0.00 -0.29 -0.08 0.00 -3.05 0.00 0.00 64.05 60.63 1rck n THR 37 Cb 0.00 0.59 -0.06 0.00 -1.55 0.00 0.00 70.33 69.30 1rck n THR 37 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1rck s TYR 38 N -1.97 -0.98 0.64 1.09 1.51 -1.26 -3.90 117.35 112.48 1rck s TYR 38 Ca 0.37 0.63 -0.15 0.00 -1.01 0.00 0.00 57.07 56.91 1rck s TYR 38 Cb 0.21 -0.03 -0.01 0.00 -0.11 0.00 0.00 41.96 42.01 1rck s TYR 38 CO 0.32 -0.87 1.08 -2.14 -1.11 0.00 0.00 175.55 172.84 1rck s PRO 39 N 2.57 3.02 -0.10 -1.71 0.02 -1.26 -4.74 135.00 132.79 1rck s PRO 39 Ca 0.12 1.26 -0.32 0.00 0.02 0.00 0.00 61.00 62.08 1rck s PRO 39 Cb -0.14 -1.99 0.12 0.00 0.02 0.00 0.00 34.50 32.52 1rck s PRO 39 CO -0.23 -1.06 1.15 -3.38 -0.33 0.00 0.00 177.00 173.14 1rck s HIS 40 N -2.47 -0.15 0.24 6.54 -3.43 -1.25 -4.68 115.29 110.08 1rck s HIS 40 Ca 0.64 0.06 -0.30 0.00 -0.80 0.00 0.00 55.06 54.67 1rck s HIS 40 Cb -0.18 0.53 -0.09 0.00 -1.43 0.00 0.00 32.58 31.41 1rck s HIS 40 CO 0.41 -0.33 1.26 0.99 -2.00 0.00 0.00 174.74 175.07 1rck s THR 41 N -2.62 3.20 0.14 -5.38 2.01 -1.26 -2.50 115.64 109.23 1rck s THR 41 Ca 0.10 1.07 -0.04 0.00 0.31 0.00 0.00 61.69 63.13 1rck s THR 41 Cb 0.00 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 1rck s THR 41 CO -0.05 0.20 0.36 -0.47 -0.69 0.00 0.00 174.62 173.97 1rck s TYR 42 N -0.39 3.48 0.75 4.92 5.04 -0.76 -4.80 117.35 125.58 1rck s TYR 42 Ca 0.52 0.51 -0.12 0.00 -2.44 0.00 0.00 57.07 55.54 1rck s TYR 42 Cb -0.36 -1.97 0.04 0.00 0.35 0.00 0.00 41.96 40.03 1rck s TYR 42 CO 0.42 0.45 1.11 -0.80 -1.34 0.00 0.00 175.55 175.39 1rck s ASN 43 N -2.48 5.03 -0.37 4.32 -0.87 -1.26 -4.47 114.94 114.84 1rck s ASN 43 Ca 0.40 1.09 0.07 0.00 -1.57 0.00 0.00 52.86 52.86 1rck s ASN 43 Cb -0.12 -1.82 0.18 0.00 -0.02 0.00 0.00 41.25 39.47 1rck s ASN 43 CO 0.25 -1.60 0.60 0.21 -2.57 0.00 0.00 177.10 173.98 1rck s ASN 44 N -4.30 -1.34 0.26 -1.22 2.47 -1.26 -4.89 114.94 104.67 1rck s ASN 44 Ca 0.60 -0.54 0.00 0.00 0.42 0.00 0.00 52.86 53.34 1rck s ASN 44 Cb -0.12 1.87 0.00 0.00 -1.45 0.00 0.00 41.25 41.56 1rck s ASN 44 CO 0.52 -0.22 0.00 0.00 -3.72 0.00 0.00 177.10 173.68 1rck n TYR 45 N 4.73 -3.55 -3.64 0.43 4.11 -1.26 -5.14 117.16 112.83 1rck n TYR 45 Ca 0.09 0.89 -0.07 0.00 -0.00 0.00 0.00 57.90 58.81 1rck n TYR 45 Cb 0.55 2.41 -0.07 0.00 -0.00 0.00 0.00 39.34 42.23 1rck n TYR 45 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.86 174.86 1rck s GLU 46 N -2.00 0.53 0.00 -3.48 2.12 -1.26 -5.05 118.70 109.56 1rck s GLU 46 Ca 0.00 0.79 0.00 0.00 0.36 0.00 0.00 54.97 56.12 1rck s GLU 46 Cb 0.00 0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.56 1rck s GLU 46 CO 0.00 -0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.04 1rck n GLY 47 N 3.28 -0.76 2.69 -1.50 0.00 -1.26 -4.92 105.19 102.72 1rck n GLY 47 Ca -0.17 0.28 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 1rck n GLY 47 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1rck n PHE 48 N 0.00 -2.24 -1.55 1.61 -0.00 -1.26 -5.10 117.46 108.92 1rck n PHE 48 Ca 0.00 -1.88 -0.30 0.00 -0.00 0.00 0.00 57.45 55.27 1rck n PHE 48 Cb 0.00 1.54 0.09 0.00 -0.00 0.00 0.00 39.48 41.10 1rck n PHE 48 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1rck s ASP 49 N -1.25 4.58 -0.39 -2.13 1.01 -1.26 -5.07 116.67 112.17 1rck s ASP 49 Ca 0.18 1.34 0.02 0.00 0.71 0.00 0.00 52.55 54.80 1rck s ASP 49 Cb 0.42 -2.09 0.12 0.00 1.01 0.00 0.00 42.92 42.37 1rck s ASP 49 CO -0.10 -1.92 0.17 -0.36 0.21 0.00 0.00 175.17 173.17 1rck s PHE 50 N -3.14 2.29 -1.11 4.23 0.08 -1.26 -5.07 117.98 114.00 1rck s PHE 50 Ca 0.60 -2.37 -0.22 0.00 0.12 0.00 0.00 56.93 55.06 1rck s PHE 50 Cb -0.14 -2.09 -0.02 0.00 -0.57 0.00 0.00 43.02 40.19 1rck s PHE 50 CO 0.54 -0.83 1.83 -1.25 -0.10 0.00 0.00 175.22 175.41 1rck s PRO 51 N 0.78 2.97 -0.10 0.24 0.04 -1.26 -4.50 135.00 133.17 1rck s PRO 51 Ca 0.14 -1.10 -0.05 0.00 0.04 0.00 0.00 61.00 60.03 1rck s PRO 51 Cb -0.22 -5.27 -0.04 0.00 0.04 0.00 0.00 34.50 29.01 1rck s PRO 51 CO -0.09 -3.22 -0.12 0.28 0.04 0.00 0.00 177.00 173.89 1rck n VAL 52 N 7.40 0.52 0.00 -0.36 0.31 -1.26 -5.07 118.33 119.88 1rck n VAL 52 Ca 0.43 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.62 1rck n VAL 52 Cb 0.47 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 1rck n VAL 52 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1rck n ASP 53 N -3.39 0.00 0.00 4.52 2.03 -1.26 -5.18 116.55 113.26 1rck n ASP 53 Ca -0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.12 1rck n ASP 53 Cb 0.63 0.21 0.00 0.00 -0.72 0.00 0.00 41.12 41.25 1rck n ASP 53 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rck n GLY 54 N -0.54 -0.44 3.71 0.27 0.00 -1.26 -5.05 105.19 101.88 1rck n GLY 54 Ca 0.00 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 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 -5.47 -0.19 0.17 1.61 0.04 -1.26 -4.96 135.00 124.94 1rck s PRO 55 Ca 0.00 0.01 0.02 0.00 0.04 0.00 0.00 61.00 61.07 1rck s PRO 55 Cb 0.00 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.82 1rck s PRO 55 CO 0.00 -3.04 0.08 0.66 0.04 0.00 0.00 177.00 174.74 1rck n TYR 56 N -4.30 -0.07 -3.62 0.56 4.02 -1.26 -1.81 117.16 110.68 1rck n TYR 56 Ca 0.11 -1.16 -0.16 0.00 -0.01 0.00 0.00 57.90 56.69 1rck n TYR 56 Cb 0.59 0.04 -0.07 0.00 -0.02 0.00 0.00 39.34 39.88 1rck n TYR 56 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1rck s GLN 57 N -2.65 0.86 0.15 -0.72 1.03 0.01 -1.82 119.66 116.52 1rck s GLN 57 Ca 0.12 0.41 -0.15 0.00 0.04 0.00 0.00 55.36 55.78 1rck s GLN 57 Cb 0.01 0.41 -0.07 0.00 0.03 0.00 0.00 33.01 33.38 1rck s GLN 57 CO 0.08 -0.21 0.57 -1.21 -2.54 0.00 0.00 175.29 171.98 1rck s GLU 58 N -0.63 4.03 -0.26 9.60 2.02 -1.04 -2.14 118.70 130.28 1rck s GLU 58 Ca -0.07 0.55 -0.03 0.00 0.02 0.00 0.00 54.97 55.44 1rck s GLU 58 Cb -0.03 -2.96 0.15 0.00 0.10 0.00 0.00 34.13 31.39 1rck s GLU 58 CO 0.06 0.49 0.45 0.12 0.02 0.00 0.00 175.26 176.39 1rck s PHE 59 N -1.43 -1.05 0.36 1.61 2.19 -0.70 -4.18 117.98 114.78 1rck s PHE 59 Ca 0.37 1.16 -0.19 0.00 0.33 0.00 0.00 56.93 58.60 1rck s PHE 59 Cb -0.16 0.21 -0.10 0.00 -1.31 0.00 0.00 43.02 41.66 1rck s PHE 59 CO 0.19 -0.74 0.85 -1.25 1.83 0.00 0.00 175.22 176.10 1rck s PRO 60 N 2.64 4.19 0.44 10.12 0.04 -1.26 -1.30 135.00 149.86 1rck s PRO 60 Ca 0.13 0.95 0.05 0.00 0.04 0.00 0.00 61.00 62.18 1rck s PRO 60 Cb -0.15 -2.40 0.05 0.00 0.04 0.00 0.00 34.50 32.04 1rck s PRO 60 CO -0.17 0.11 0.42 1.51 0.04 0.00 0.00 177.00 178.91 1rck n ILE 61 N -0.28 0.00 -3.43 0.56 3.06 -1.03 -3.73 119.36 114.51 1rck n ILE 61 Ca 0.04 -1.64 -0.12 0.00 -2.50 0.00 0.00 62.75 58.53 1rck n ILE 61 Cb 0.53 -0.29 -0.02 0.00 0.54 0.00 0.00 39.64 40.40 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 -3.85 1.25 -1.32 9.51 2.47 -1.25 -4.79 119.74 121.75 1rck s LYS 62 Ca 0.32 -0.42 -0.06 0.00 -1.56 0.00 0.00 55.97 54.25 1rck s LYS 62 Cb -0.03 0.58 0.12 0.00 -1.46 0.00 0.00 37.83 37.04 1rck s LYS 62 CO 0.20 -0.54 2.37 -1.13 0.16 0.00 0.00 175.35 176.42 1rck n SER 63 N -0.29 7.95 0.03 1.43 3.41 -1.26 -4.00 113.62 120.88 1rck n SER 63 Ca -0.17 -3.14 0.00 0.00 -0.26 0.00 0.00 58.87 55.31 1rck n SER 63 Cb 0.64 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 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 1.78 -0.74 0.00 5.00 0.00 -1.26 -5.16 105.19 104.81 1rck n GLY 64 Ca 0.62 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.87 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 -1.14 3.35 3.76 -0.02 0.00 -1.26 -5.14 105.19 104.74 1rck n GLY 65 Ca 0.00 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.35 2.79 0.36 1.61 0.11 -1.26 -3.75 120.40 118.90 1rck s VAL 66 Ca 0.00 0.26 -0.26 0.00 -2.93 0.00 0.00 61.98 59.04 1rck s VAL 66 Cb 0.00 -2.86 -0.12 0.00 -1.53 0.00 0.00 36.38 31.86 1rck s VAL 66 CO 0.00 -0.33 1.01 0.00 -3.33 0.00 0.00 175.10 172.44 1rck n TYR 67 N -3.69 1.22 0.02 1.54 4.19 -1.24 -4.76 117.16 114.42 1rck n TYR 67 Ca 0.07 0.62 -0.02 0.00 3.31 0.00 0.00 57.90 61.89 1rck n TYR 67 Cb 0.56 -2.24 -0.01 0.00 0.49 0.00 0.00 39.34 38.14 1rck n TYR 67 CO 0.00 0.00 0.00 2.41 0.91 0.00 0.00 176.86 180.18 1rck n THR 68 N -0.13 0.82 0.00 2.97 -1.04 -1.26 -5.09 114.28 110.54 1rck n THR 68 Ca 0.09 0.22 0.00 0.00 -2.04 0.00 0.00 64.05 62.32 1rck n THR 68 Cb 0.36 -1.61 0.00 0.00 -1.82 0.00 0.00 70.33 67.26 1rck n THR 68 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rck n GLY 69 N 3.12 -0.91 2.25 3.41 0.00 -1.26 -5.05 105.19 106.74 1rck n GLY 69 Ca -0.03 -2.04 -0.09 0.00 0.00 0.00 0.00 46.02 43.86 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 0.26 3.45 -0.02 0.00 -1.26 -5.04 105.19 102.58 1rck n GLY 70 Ca 0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 1rck n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rck s SER 71 N -2.94 -0.56 0.15 1.61 0.01 -1.26 -5.07 113.70 105.63 1rck s SER 71 Ca 0.14 0.15 -0.30 0.00 1.31 0.00 0.00 55.95 57.25 1rck s SER 71 Cb -0.06 0.56 -0.04 0.00 0.21 0.00 0.00 66.02 66.68 1rck s SER 71 CO 0.18 -0.85 1.56 -0.65 0.41 0.00 0.00 173.24 173.88 1rck h PRO 72 N 2.20 -0.30 0.00 12.44 0.11 -2.07 -3.49 132.00 140.90 1rck h PRO 72 Ca -0.31 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1rck h PRO 72 Cb 1.27 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1rck h PRO 72 CO 0.37 -0.20 0.00 0.41 -0.21 0.00 0.00 178.00 178.37 1rck n GLY 73 N -1.38 1.47 0.19 -0.55 0.00 -1.26 -5.09 105.19 98.56 1rck n GLY 73 Ca -0.01 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 1.60 1.23 -2.64 4.61 0.00 -1.26 -4.95 120.51 119.10 1rck n ALA 74 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1rck n ALA 74 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.32 6.67 -0.20 0.00 1.11 -1.26 -2.07 116.67 118.60 1rck s ASP 75 Ca 0.00 0.83 -0.17 0.00 0.18 0.00 0.00 52.55 53.38 1rck s ASP 75 Cb 0.00 -2.37 0.05 0.00 1.07 0.00 0.00 42.92 41.67 1rck s ASP 75 CO 0.00 -0.40 0.52 0.00 1.18 0.00 0.00 175.17 176.46 1rck s ARG 76 N 2.53 0.59 0.25 8.23 1.70 -0.68 -2.47 118.95 129.10 1rck s ARG 76 Ca 0.29 0.74 -0.09 0.00 -0.47 0.00 0.00 55.73 56.21 1rck s ARG 76 Cb -0.15 0.27 -0.07 0.00 -0.57 0.00 0.00 34.95 34.42 1rck s ARG 76 CO 0.08 -0.08 0.56 0.14 -1.08 0.00 0.00 175.30 174.93 1rck s VAL 77 N 0.41 4.94 -0.09 4.99 -7.23 -0.42 -1.77 120.40 121.22 1rck s VAL 77 Ca -0.01 0.40 -0.02 0.00 -1.81 0.00 0.00 61.98 60.55 1rck s VAL 77 Cb -0.04 -3.64 0.03 0.00 0.56 0.00 0.00 36.38 33.29 1rck s VAL 77 CO -0.01 -0.14 0.02 -0.69 -0.31 0.00 0.00 175.10 173.96 1rck s VAL 78 N -1.90 0.33 0.32 1.32 1.01 -0.57 -1.73 120.40 119.20 1rck s VAL 78 Ca 0.47 0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.55 1rck s VAL 78 Cb -0.11 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1rck s VAL 78 CO 0.23 0.15 0.18 0.27 0.00 0.00 0.00 175.10 175.93 1rck s ILE 79 N 1.98 3.34 0.59 2.22 -4.36 -0.91 -1.78 121.20 122.28 1rck s ILE 79 Ca 0.04 -1.60 -0.13 0.00 -0.26 0.00 0.00 60.65 58.70 1rck s ILE 79 Cb -0.13 -3.06 -0.05 0.00 1.25 0.00 0.00 42.46 40.47 1rck s ILE 79 CO -0.06 -0.21 1.02 0.20 0.24 0.00 0.00 174.94 176.13 1rck s ASN 80 N -3.87 6.29 0.01 4.36 0.01 0.44 -0.81 114.94 121.36 1rck s ASN 80 Ca 0.38 1.50 0.05 0.00 -0.71 0.00 0.00 52.86 54.08 1rck s ASN 80 Cb -0.04 -2.49 0.21 0.00 0.41 0.00 0.00 41.25 39.34 1rck s ASN 80 CO 0.24 -0.83 1.16 1.07 -1.51 0.00 0.00 177.10 177.23 1rck n THR 81 N -2.34 1.68 0.00 1.60 5.66 -0.75 -3.48 114.28 116.65 1rck n THR 81 Ca 0.06 0.43 0.00 0.00 -3.05 0.00 0.00 64.05 61.49 1rck n THR 81 Cb 0.54 -1.36 0.00 0.00 -1.55 0.00 0.00 70.33 67.96 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 -1.52 0.00 0.00 1.09 2.85 -1.26 -5.01 115.26 111.41 1rck n ASN 82 Ca 0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 1rck n ASN 82 Cb 0.05 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.07 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 4.57 -0.01 0.00 2.02 -1.26 -4.82 118.70 119.20 1rck s GLU 84 Ca 0.00 1.39 -0.30 0.00 0.02 0.00 0.00 54.97 56.08 1rck s GLU 84 Cb 0.00 -2.85 -0.05 0.00 0.10 0.00 0.00 34.13 31.33 1rck s GLU 84 CO 0.00 0.26 1.40 -0.47 0.02 0.00 0.00 175.26 176.47 1rck s TYR 85 N -1.55 2.80 -0.21 1.61 6.14 -1.26 -0.42 117.35 124.46 1rck s TYR 85 Ca 0.50 0.80 -0.17 0.00 0.64 0.00 0.00 57.07 58.84 1rck s TYR 85 Cb -0.21 -3.66 -0.18 0.00 0.42 0.00 0.00 41.96 38.33 1rck s TYR 85 CO 0.26 -2.47 0.08 0.00 0.64 0.00 0.00 175.55 174.07 1rck n ALA 86 N 5.55 0.93 0.00 3.97 0.00 -0.89 -4.84 120.51 125.23 1rck n ALA 86 Ca 0.13 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1rck n ALA 86 Cb 0.44 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1rck n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rck n GLY 87 N 1.51 -1.24 3.29 0.00 0.00 -0.73 -4.97 105.19 103.05 1rck n GLY 87 Ca -0.38 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.01 -0.98 0.17 4.61 0.00 -1.26 -1.51 121.76 121.78 1rck s ALA 88 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.02 1rck s ALA 88 Cb 0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1rck s ALA 88 CO 0.00 -0.20 0.06 0.96 0.00 0.00 0.00 175.76 176.58 1rck s ILE 89 N 0.05 0.32 0.07 0.00 -4.36 -0.73 -1.31 121.20 115.23 1rck s ILE 89 Ca -0.01 -1.96 -0.19 0.00 -0.26 0.00 0.00 60.65 58.23 1rck s ILE 89 Cb -0.03 -2.21 0.04 0.00 1.25 0.00 0.00 42.46 41.51 1rck s ILE 89 CO 0.01 -0.34 0.45 0.28 0.24 0.00 0.00 174.94 175.58 1rck s THR 90 N -3.91 0.05 0.05 8.37 -1.32 -0.49 -1.69 115.64 116.70 1rck s THR 90 Ca 0.28 -0.39 -0.16 0.00 -1.21 0.00 0.00 61.69 60.21 1rck s THR 90 Cb 0.07 -1.01 -0.27 0.00 -1.51 0.00 0.00 72.50 69.78 1rck s THR 90 CO 0.05 -0.22 1.11 0.45 -2.21 0.00 0.00 174.62 173.80 1rck h HIS 91 N 2.76 0.95 -3.28 9.09 3.86 -1.68 -2.55 115.15 124.30 1rck h HIS 91 Ca -0.32 -0.57 -0.57 0.00 -1.16 0.00 0.00 60.37 57.75 1rck h HIS 91 Cb 1.22 -0.09 0.13 0.00 1.06 0.00 0.00 27.41 29.73 1rck h HIS 91 CO 0.37 1.41 0.33 -2.37 0.86 0.00 0.00 177.93 178.53 1rck n THR 92 N -3.88 2.49 0.00 2.45 5.66 -1.26 -2.21 114.28 117.53 1rck n THR 92 Ca -0.13 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.37 1rck n THR 92 Cb 0.91 -1.36 0.00 0.00 -1.55 0.00 0.00 70.33 68.34 1rck n THR 92 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rck n GLY 93 N 1.00 3.23 0.00 1.09 0.00 -1.26 -4.81 105.19 104.44 1rck n GLY 93 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.02 0.00 -2.93 4.61 0.00 -0.94 -5.07 120.51 115.15 1rck n ALA 94 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1rck n ALA 94 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1rck n ALA 94 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1rck s SER 95 N -1.00 -0.75 0.00 0.00 0.15 -1.26 -5.11 113.70 105.72 1rck s SER 95 Ca 0.00 -2.00 0.00 0.00 0.70 0.00 0.00 55.95 54.65 1rck s SER 95 Cb 0.00 1.35 0.00 0.00 -1.71 0.00 0.00 66.02 65.66 1rck s SER 95 CO 0.00 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1rck n GLY 96 N 3.01 0.35 0.06 9.45 0.00 -1.26 -4.63 105.19 112.17 1rck n GLY 96 Ca 0.20 -1.58 -0.07 0.00 0.00 0.00 0.00 46.02 44.57 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 0.01 -2.86 1.61 -0.73 -1.99 -3.46 115.58 108.15 1rck h ASN 97 Ca 0.00 -0.01 -0.59 0.00 1.87 0.00 0.00 56.30 57.58 1rck h ASN 97 Cb 0.00 -0.00 0.11 0.00 0.27 0.00 0.00 38.32 38.70 1rck h ASN 97 CO 0.00 0.99 0.30 -0.46 -0.37 0.00 0.00 177.43 177.89 1rck n ASN 98 N -3.37 1.96 -4.98 1.15 0.23 -1.26 -4.86 115.26 104.13 1rck n ASN 98 Ca -0.00 1.19 -0.18 0.00 -0.53 0.00 0.00 54.58 55.06 1rck n ASN 98 Cb 0.93 -1.38 -0.00 0.00 -2.08 0.00 0.00 39.78 37.25 1rck n ASN 98 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 1rck s PHE 99 N -1.08 2.98 0.17 -2.53 0.40 -1.26 -4.45 117.98 112.21 1rck s PHE 99 Ca 0.57 -0.30 -0.06 0.00 -0.60 0.00 0.00 56.93 56.54 1rck s PHE 99 Cb -0.64 -2.12 -0.02 0.00 0.51 0.00 0.00 43.02 40.75 1rck s PHE 99 CO 0.61 -0.14 0.23 0.14 0.70 0.00 0.00 175.22 176.75 1rck s VAL 100 N -2.25 0.06 0.62 -0.44 -7.23 -0.96 -4.95 120.40 105.24 1rck s VAL 100 Ca 0.48 -1.61 -0.07 0.00 -1.81 0.00 0.00 61.98 58.96 1rck s VAL 100 Cb -0.09 -2.04 0.01 0.00 0.56 0.00 0.00 36.38 34.82 1rck s VAL 100 CO 0.31 -0.26 0.95 -0.83 -0.31 0.00 0.00 175.10 174.97 1rck s GLY 101 N -3.02 1.61 0.11 2.32 0.00 -1.26 -1.39 107.32 105.69 1rck s GLY 101 Ca 0.23 -0.60 -0.01 0.00 0.00 0.00 0.00 44.72 44.35 1rck s GLY 101 CO 0.03 -0.29 0.02 0.00 0.00 0.00 0.00 173.10 172.86 1rck n SER 103 N -0.05 -3.73 -0.16 0.00 3.41 -1.26 -1.93 113.62 109.89 1rck n SER 103 Ca -0.08 -0.75 -0.02 0.00 -0.26 0.00 0.00 58.87 57.76 1rck n SER 103 Cb 0.63 -4.19 -0.01 0.00 -0.26 0.00 0.00 64.21 60.38 1rck n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rck n GLY 104 N -1.67 0.55 3.77 5.00 0.00 -1.26 -4.95 105.19 106.64 1rck n GLY 104 Ca -0.09 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.01 4.29 0.00 2.61 2.01 -0.81 -5.14 115.64 116.58 1rck s THR 105 Ca 0.00 1.78 0.00 0.00 0.31 0.00 0.00 61.69 63.78 1rck s THR 105 Cb 0.00 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 68.36 1rck s THR 105 CO 0.00 0.45 0.00 -3.20 -0.69 0.00 0.00 174.62 171.18