#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 -0.19 -2.81 -0.43 0.00 -1.26 -4.62 120.51 111.19 1rck n ALA 3 Ca 0.00 0.43 -0.30 0.00 0.00 0.00 0.00 53.44 53.56 1rck n ALA 3 Cb 0.00 -2.07 -0.06 0.00 0.00 0.00 0.00 19.45 17.32 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 -0.49 4.76 -0.34 0.00 -4.23 -0.74 -4.52 115.64 110.10 1rck s THR 4 Ca 0.67 -0.67 -0.01 0.00 -1.18 0.00 0.00 61.69 60.50 1rck s THR 4 Cb -0.76 -3.31 0.11 0.00 1.34 0.00 0.00 72.50 69.89 1rck s THR 4 CO 0.55 0.12 0.14 -0.89 -0.54 0.00 0.00 174.62 174.00 1rck s THR 5 N -1.43 0.77 -0.98 3.99 2.01 -1.26 -0.71 115.64 118.02 1rck s THR 5 Ca 0.31 -1.56 -0.13 0.00 0.31 0.00 0.00 61.69 60.62 1rck s THR 5 Cb -0.12 -1.58 0.22 0.00 0.01 0.00 0.00 72.50 71.03 1rck s THR 5 CO 0.24 -0.76 1.01 0.00 -0.69 0.00 0.00 174.62 174.42 1rck n GLY 7 N 3.77 2.16 0.09 0.00 0.00 -1.26 -3.04 105.19 106.91 1rck n GLY 7 Ca 0.21 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 6.59 2.05 -4.74 1.61 7.64 -1.26 -4.96 113.62 120.55 1rck n SER 8 Ca 0.00 -0.07 -0.29 0.00 1.01 0.00 0.00 58.87 59.52 1rck n SER 8 Cb 0.00 0.09 0.14 0.00 -1.01 0.00 0.00 64.21 63.43 1rck n SER 8 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1rck s THR 9 N -2.38 2.33 -0.23 0.44 -1.32 -1.17 -5.08 115.64 108.23 1rck s THR 9 Ca -0.20 0.11 -0.15 0.00 -1.21 0.00 0.00 61.69 60.23 1rck s THR 9 Cb 0.06 -2.73 0.07 0.00 -1.51 0.00 0.00 72.50 68.39 1rck s THR 9 CO 0.51 -0.14 0.59 0.54 -2.21 0.00 0.00 174.62 173.91 1rck s ASN 10 N -3.71 -0.75 0.22 8.08 4.22 -1.26 -1.23 114.94 120.50 1rck s ASN 10 Ca 0.64 1.26 0.09 0.00 -2.14 0.00 0.00 52.86 52.71 1rck s ASN 10 Cb -0.16 1.17 -0.05 0.00 1.28 0.00 0.00 41.25 43.49 1rck s ASN 10 CO 0.55 -0.22 -0.18 -0.31 -2.04 0.00 0.00 177.10 174.91 1rck s TYR 11 N 1.25 1.95 0.58 1.54 2.02 0.11 -4.98 117.35 119.82 1rck s TYR 11 Ca -0.07 -0.46 -0.15 0.00 -0.37 0.00 0.00 57.07 56.02 1rck s TYR 11 Cb -0.06 -0.91 -0.05 0.00 -0.40 0.00 0.00 41.96 40.54 1rck s TYR 11 CO -0.13 0.47 1.02 -1.12 -1.57 0.00 0.00 175.55 174.22 1rck s SER 12 N -3.16 6.20 0.60 2.29 0.01 -1.26 -1.79 113.70 116.59 1rck s SER 12 Ca 0.23 1.60 0.39 0.00 1.31 0.00 0.00 55.95 59.48 1rck s SER 12 Cb -0.04 -2.51 2.11 0.00 0.21 0.00 0.00 66.02 65.80 1rck s SER 12 CO 0.09 -0.88 2.19 0.00 0.41 0.00 0.00 173.24 175.05 1rck h ALA 13 N 0.37 1.03 -0.17 1.44 0.00 -1.90 -0.13 119.26 119.90 1rck h ALA 13 Ca -0.46 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.25 1rck h ALA 13 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1rck h ALA 13 CO 0.60 -0.03 -0.69 0.66 0.00 0.00 0.00 179.25 179.80 1rck h SER 14 N 0.00 0.78 -0.10 0.00 4.64 -1.94 -2.16 113.55 114.77 1rck h SER 14 Ca 0.00 -0.48 -0.03 0.00 -0.47 0.00 0.00 61.79 60.82 1rck h SER 14 Cb 0.06 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 61.92 1rck h SER 14 CO 0.00 1.25 -0.04 1.56 -0.87 0.00 0.00 176.83 178.73 1rck h GLN 15 N 0.48 0.21 -0.35 4.77 7.50 -1.38 0.10 115.11 126.44 1rck h GLN 15 Ca -0.02 -0.09 0.07 0.00 0.50 0.00 0.00 58.65 59.11 1rck h GLN 15 Cb 1.28 -0.01 -0.07 0.00 0.05 0.00 0.00 27.48 28.74 1rck h GLN 15 CO 0.14 0.54 -0.08 0.28 -1.50 0.00 0.00 178.83 178.21 1rck h VAL 16 N -0.13 0.66 -0.34 -0.54 2.07 -1.55 -1.66 116.25 114.76 1rck h VAL 16 Ca 0.02 -0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.39 1rck h VAL 16 Cb 0.47 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1rck h VAL 16 CO 0.01 0.00 -0.38 -0.09 0.02 0.00 0.00 177.57 177.14 1rck h ARG 17 N 0.01 0.80 0.31 1.57 1.12 -1.36 -2.43 114.38 114.39 1rck h ARG 17 Ca 0.17 -0.41 -0.02 0.00 -1.11 0.00 0.00 59.98 58.62 1rck h ARG 17 Cb 0.25 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.23 1rck h ARG 17 CO -0.35 1.04 -0.15 0.00 -3.11 0.00 0.00 179.97 177.40 1rck h ALA 18 N 0.91 -0.41 -0.36 2.80 0.00 -0.38 0.72 119.26 122.55 1rck h ALA 18 Ca 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1rck h ALA 18 Cb 0.93 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1rck h ALA 18 CO 0.09 -0.59 0.11 0.00 0.00 0.00 0.00 179.25 178.85 1rck h ALA 19 N -0.11 1.53 -0.03 0.00 0.00 -1.41 -1.08 119.26 118.15 1rck h ALA 19 Ca -0.04 -0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.52 1rck h ALA 19 Cb 0.48 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1rck h ALA 19 CO 0.07 0.36 -0.90 0.00 0.00 0.00 0.00 179.25 178.78 1rck h ALA 20 N 1.62 0.36 0.00 0.00 0.00 -1.35 -0.91 119.26 118.98 1rck h ALA 20 Ca 0.12 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1rck h ALA 20 Cb 0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1rck h ALA 20 CO -0.01 0.77 -0.04 -0.97 0.00 0.00 0.00 179.25 179.00 1rck h ASN 21 N 0.31 0.00 0.00 0.00 -0.73 -0.45 0.09 115.58 114.80 1rck h ASN 21 Ca -0.08 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.08 1rck h ASN 21 Cb 1.52 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 40.11 1rck h ASN 21 CO 0.16 0.04 -0.18 0.00 -0.37 0.00 0.00 177.43 177.08 1rck h ALA 22 N 1.96 0.02 -0.99 1.57 0.00 -0.99 -2.84 119.26 117.99 1rck h ALA 22 Ca -0.00 -0.27 0.21 0.00 0.00 0.00 0.00 54.91 54.85 1rck h ALA 22 Cb 0.49 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.33 1rck h ALA 22 CO 0.00 0.14 0.62 0.00 0.00 0.00 0.00 179.25 180.01 1rck h ALA 23 N -0.77 1.90 0.45 0.00 0.00 -1.14 -1.03 119.26 118.66 1rck h ALA 23 Ca -0.02 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1rck h ALA 23 Cb 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1rck h ALA 23 CO -0.01 -0.26 -0.22 0.00 0.00 0.00 0.00 179.25 178.76 1rck h GLN 25 N -0.64 0.76 -0.00 0.00 5.75 -0.98 -1.26 115.11 118.74 1rck h GLN 25 Ca -0.06 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.39 1rck h GLN 25 Cb 0.48 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.86 1rck h GLN 25 CO 0.10 0.51 -0.07 0.66 -2.65 0.00 0.00 178.83 177.37 1rck n TYR 26 N -4.50 0.00 -2.44 3.99 4.01 -0.55 -3.93 117.16 113.75 1rck n TYR 26 Ca 0.13 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.70 1rck n TYR 26 Cb 0.27 -0.29 0.02 0.00 -0.31 0.00 0.00 39.34 39.04 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 -1.23 2.28 0.00 -0.72 9.36 -0.22 -3.19 117.16 123.43 1rck n TYR 27 Ca 0.12 -2.50 0.00 0.00 3.32 0.00 0.00 57.90 58.84 1rck n TYR 27 Cb 0.28 -0.26 0.00 0.00 -0.63 0.00 0.00 39.34 38.73 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 -0.52 0.00 0.00 2.98 6.02 -1.16 -4.45 117.38 120.25 1rck n GLN 28 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 1rck n GLN 28 Cb 0.83 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.09 1rck n GLN 28 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1rck n ASN 29 N -0.55 0.00 -3.59 1.08 2.85 -1.26 -4.98 115.26 108.80 1rck n ASN 29 Ca 0.00 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.06 1rck n ASN 29 Cb 0.00 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.01 1rck n ASN 29 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1rck n ASP 30 N 0.00 6.37 -1.07 1.20 9.92 -1.26 -4.57 116.55 127.14 1rck n ASP 30 Ca 0.00 -2.89 0.00 0.00 -0.53 0.00 0.00 54.79 51.37 1rck n ASP 30 Cb 0.00 -1.53 0.00 0.00 -0.64 0.00 0.00 41.12 38.95 1rck n ASP 30 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1rck n ASP 31 N 4.01 -2.75 -4.33 -2.24 8.00 -1.26 -4.68 116.55 113.29 1rck n ASP 31 Ca 0.59 0.18 -0.43 0.00 0.71 0.00 0.00 54.79 55.83 1rck n ASP 31 Cb 0.31 -1.42 0.00 0.00 -0.02 0.00 0.00 41.12 39.99 1rck n ASP 31 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1rck n THR 32 N 0.18 4.18 -2.34 -3.53 -2.24 -1.26 -4.42 114.28 104.86 1rck n THR 32 Ca 0.00 -4.48 -0.36 0.00 -2.27 0.00 0.00 64.05 56.95 1rck n THR 32 Cb 0.00 -2.43 -0.04 0.00 -2.10 0.00 0.00 70.33 65.76 1rck n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rck s ALA 33 N 1.87 2.30 -0.37 6.98 0.00 -1.19 -4.93 121.76 126.42 1rck s ALA 33 Ca 0.44 -1.77 -0.08 0.00 0.00 0.00 0.00 51.96 50.55 1rck s ALA 33 Cb 0.02 -4.49 0.05 0.00 0.00 0.00 0.00 23.12 18.69 1rck s ALA 33 CO 0.01 -4.02 0.18 0.20 0.00 0.00 0.00 175.76 172.13 1rck s GLY 34 N 6.17 1.90 -0.01 0.00 0.00 -1.26 -4.34 107.32 109.78 1rck s GLY 34 Ca 0.55 -1.87 -0.05 0.00 0.00 0.00 0.00 44.72 43.35 1rck s GLY 34 CO -0.02 0.85 0.52 1.76 0.00 0.00 0.00 173.10 176.22 1rck h SER 35 N 8.33 -0.16 0.00 1.64 0.02 -1.84 -3.49 113.55 118.05 1rck h SER 35 Ca -0.23 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1rck h SER 35 Cb 1.09 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1rck h SER 35 CO 0.66 -0.03 0.00 -1.54 -1.14 0.00 0.00 176.83 174.79 1rck n SER 36 N -2.99 0.00 -2.90 3.07 3.41 -1.26 -4.93 113.62 108.03 1rck n SER 36 Ca -0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.25 1rck n SER 36 Cb 0.07 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 1rck n SER 36 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1rck n THR 37 N 0.00 4.07 -0.02 6.66 5.66 -1.26 -4.92 114.28 124.46 1rck n THR 37 Ca 0.00 -3.81 0.00 0.00 -3.05 0.00 0.00 64.05 57.19 1rck n THR 37 Cb 0.00 -1.64 -0.00 0.00 -1.55 0.00 0.00 70.33 67.14 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 0.73 -0.07 -2.30 1.09 4.01 -1.26 -4.89 117.16 114.47 1rck n TYR 38 Ca 0.53 0.04 -0.42 0.00 -0.16 0.00 0.00 57.90 57.88 1rck n TYR 38 Cb 0.40 -0.30 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 1rck n TYR 38 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1rck s PRO 39 N -3.51 4.34 0.24 -0.72 0.02 -1.26 -3.35 135.00 130.76 1rck s PRO 39 Ca 0.00 1.90 -0.22 0.00 0.02 0.00 0.00 61.00 62.69 1rck s PRO 39 Cb 0.00 -3.43 0.04 0.00 0.02 0.00 0.00 34.50 31.12 1rck s PRO 39 CO 0.00 -0.44 0.79 -3.38 -0.33 0.00 0.00 177.00 173.64 1rck s HIS 40 N 1.70 -0.18 0.03 6.54 -3.43 -1.26 -4.73 115.29 113.95 1rck s HIS 40 Ca 0.61 -0.22 -0.33 0.00 -0.80 0.00 0.00 55.06 54.32 1rck s HIS 40 Cb -0.31 0.68 -0.17 0.00 -1.43 0.00 0.00 32.58 31.35 1rck s HIS 40 CO 0.27 -1.10 0.86 2.41 -2.00 0.00 0.00 174.74 175.18 1rck n THR 41 N -0.46 0.29 -3.73 -5.38 -1.04 -1.26 -1.62 114.28 101.08 1rck n THR 41 Ca -0.05 -0.07 -0.38 0.00 -2.04 0.00 0.00 64.05 61.51 1rck n THR 41 Cb 0.60 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.99 1rck n THR 41 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1rck s TYR 42 N -0.15 3.27 0.19 -1.42 5.04 -0.36 -4.71 117.35 119.22 1rck s TYR 42 Ca 0.76 -1.43 -0.03 0.00 -2.44 0.00 0.00 57.07 53.92 1rck s TYR 42 Cb -1.06 -2.38 0.12 0.00 0.35 0.00 0.00 41.96 38.99 1rck s TYR 42 CO 0.50 -0.74 1.52 -0.97 -1.34 0.00 0.00 175.55 174.51 1rck h ASN 43 N 8.25 0.63 -4.05 4.32 -0.73 -1.94 -3.43 115.58 118.63 1rck h ASN 43 Ca -0.23 -0.33 0.00 0.00 1.87 0.00 0.00 56.30 57.61 1rck h ASN 43 Cb 1.08 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.49 1rck h ASN 43 CO 0.62 1.04 -0.17 -3.20 -0.37 0.00 0.00 177.43 175.35 1rck n ASN 44 N -3.97 -4.71 -4.56 1.15 2.85 -1.26 -4.91 115.26 99.85 1rck n ASN 44 Ca -0.03 0.17 -0.32 0.00 -0.11 0.00 0.00 54.58 54.29 1rck n ASN 44 Cb 0.59 -3.00 -0.04 0.00 1.24 0.00 0.00 39.78 38.56 1rck n ASN 44 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 1rck s TYR 45 N -2.08 1.99 0.46 1.20 2.02 -1.26 -4.80 117.35 114.88 1rck s TYR 45 Ca 0.08 0.25 0.00 0.00 -0.37 0.00 0.00 57.07 57.03 1rck s TYR 45 Cb -0.02 -4.24 0.00 0.00 -0.40 0.00 0.00 41.96 37.30 1rck s TYR 45 CO 0.35 -1.87 0.00 -0.85 -1.57 0.00 0.00 175.55 171.61 1rck n GLU 46 N 8.92 -2.97 0.00 -0.62 0.28 -1.26 -4.94 120.64 120.06 1rck n GLU 46 Ca 0.35 2.34 0.00 0.00 -0.16 0.00 0.00 57.16 59.68 1rck n GLU 46 Cb 0.49 -3.16 0.00 0.00 1.43 0.00 0.00 31.44 30.20 1rck n GLU 46 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1rck n GLY 47 N -2.92 1.67 1.48 -1.84 0.00 -1.26 -5.01 105.19 97.31 1rck n GLY 47 Ca -0.02 -0.47 0.19 0.00 0.00 0.00 0.00 46.02 45.72 1rck n GLY 47 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1rck n PHE 48 N 6.65 -3.80 -3.65 1.61 3.01 -1.26 -5.01 117.46 115.00 1rck n PHE 48 Ca 0.00 1.97 -0.03 0.00 1.01 0.00 0.00 57.45 60.40 1rck n PHE 48 Cb 0.00 -3.46 -0.06 0.00 -0.01 0.00 0.00 39.48 35.96 1rck n PHE 48 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1rck s ASP 49 N -7.28 -0.95 -0.25 4.37 -4.77 -1.26 -5.12 116.67 101.41 1rck s ASP 49 Ca 0.00 1.45 -0.02 0.00 -3.30 0.00 0.00 52.55 50.69 1rck s ASP 49 Cb 0.00 1.96 0.08 0.00 -1.09 0.00 0.00 42.92 43.87 1rck s ASP 49 CO 0.00 -0.22 0.06 -0.36 0.70 0.00 0.00 175.17 175.34 1rck s PHE 50 N 2.60 1.42 -1.21 2.11 0.08 -1.26 -4.43 117.98 117.29 1rck s PHE 50 Ca -0.06 -1.32 -0.21 0.00 0.12 0.00 0.00 56.93 55.46 1rck s PHE 50 Cb -0.11 -1.37 -0.03 0.00 -0.57 0.00 0.00 43.02 40.95 1rck s PHE 50 CO -0.18 -0.75 1.85 -1.25 -0.10 0.00 0.00 175.22 174.79 1rck s PRO 51 N 1.72 3.05 0.16 0.24 0.04 -1.26 -4.83 135.00 134.12 1rck s PRO 51 Ca 0.03 -1.42 -0.21 0.00 0.04 0.00 0.00 61.00 59.45 1rck s PRO 51 Cb -0.17 -5.34 0.06 0.00 0.04 0.00 0.00 34.50 29.08 1rck s PRO 51 CO -0.16 -3.31 0.54 0.14 0.04 0.00 0.00 177.00 174.25 1rck s VAL 52 N 8.45 0.02 -0.16 -0.36 -7.23 -1.26 -5.07 120.40 114.79 1rck s VAL 52 Ca 0.63 -0.22 -0.26 0.00 -1.81 0.00 0.00 61.98 60.32 1rck s VAL 52 Cb 0.01 -1.10 -0.23 0.00 0.56 0.00 0.00 36.38 35.62 1rck s VAL 52 CO 0.10 -0.09 0.59 -0.78 -0.31 0.00 0.00 175.10 174.61 1rck h ASP 53 N 2.11 0.00 0.00 4.85 3.58 -2.03 -3.51 116.42 121.41 1rck h ASP 53 Ca -0.33 -0.83 0.00 0.00 0.42 0.00 0.00 57.03 56.29 1rck h ASP 53 Cb 1.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.34 1rck h ASP 53 CO 0.40 1.10 0.00 0.61 -2.88 0.00 0.00 179.24 178.47 1rck n GLY 54 N 1.57 -1.56 3.51 -0.78 0.00 -1.26 -4.84 105.19 101.82 1rck n GLY 54 Ca -0.15 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.05 1rck n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1rck n PRO 55 N 0.00 0.34 -4.28 1.61 -0.02 -1.26 -4.84 135.00 126.55 1rck n PRO 55 Ca 0.00 0.16 -0.24 0.00 -2.02 0.00 0.00 63.50 61.40 1rck n PRO 55 Cb 0.00 -1.95 -0.08 0.00 -0.02 0.00 0.00 33.50 31.45 1rck n PRO 55 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1rck s TYR 56 N -1.90 2.71 0.08 6.00 2.02 -1.26 -1.80 117.35 123.19 1rck s TYR 56 Ca 0.68 -0.21 0.05 0.00 -0.37 0.00 0.00 57.07 57.22 1rck s TYR 56 Cb -0.35 -1.24 -0.03 0.00 -0.40 0.00 0.00 41.96 39.95 1rck s TYR 56 CO 0.56 0.59 -0.14 -0.65 -1.57 0.00 0.00 175.55 174.34 1rck s GLN 57 N -3.42 0.83 0.40 -0.62 -1.52 -0.18 -1.22 119.66 113.92 1rck s GLN 57 Ca 0.30 -0.99 -0.08 0.00 -1.95 0.00 0.00 55.36 52.64 1rck s GLN 57 Cb -0.07 -0.79 -0.05 0.00 -0.22 0.00 0.00 33.01 31.88 1rck s GLN 57 CO 0.19 0.17 0.72 -1.21 -0.25 0.00 0.00 175.29 174.91 1rck s GLU 58 N -1.91 3.68 -0.30 2.91 2.02 -0.64 -1.51 118.70 122.95 1rck s GLU 58 Ca -0.01 0.27 -0.01 0.00 0.02 0.00 0.00 54.97 55.25 1rck s GLU 58 Cb -0.09 -2.45 0.19 0.00 0.10 0.00 0.00 34.13 31.88 1rck s GLU 58 CO 0.02 -0.02 0.59 0.12 0.02 0.00 0.00 175.26 175.99 1rck s PHE 59 N -2.41 -1.61 0.14 1.61 5.36 -0.57 -4.02 117.98 116.48 1rck s PHE 59 Ca 0.48 1.64 -0.29 0.00 -0.96 0.00 0.00 56.93 57.81 1rck s PHE 59 Cb -0.10 0.53 -0.07 0.00 -0.34 0.00 0.00 43.02 43.04 1rck s PHE 59 CO 0.35 -0.89 0.90 -1.25 -1.46 0.00 0.00 175.22 172.87 1rck s PRO 60 N 2.85 4.69 0.22 10.12 0.04 -1.26 -0.86 135.00 150.80 1rck s PRO 60 Ca 0.20 1.36 0.03 0.00 0.04 0.00 0.00 61.00 62.63 1rck s PRO 60 Cb -0.15 -3.34 0.03 0.00 0.04 0.00 0.00 34.50 31.09 1rck s PRO 60 CO -0.21 0.35 0.26 -0.89 0.04 0.00 0.00 177.00 176.55 1rck n ILE 61 N 2.32 0.00 -3.80 0.56 5.41 -0.49 -3.80 119.36 119.56 1rck n ILE 61 Ca -0.01 -0.79 -0.06 0.00 1.00 0.00 0.00 62.75 62.89 1rck n ILE 61 Cb 0.49 -0.65 0.02 0.00 -0.71 0.00 0.00 39.64 38.79 1rck n ILE 61 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1rck n LYS 62 N -1.33 0.90 -1.49 0.38 4.76 -1.25 -4.45 118.16 115.68 1rck n LYS 62 Ca 0.04 -1.84 -0.27 0.00 -2.87 0.00 0.00 58.31 53.38 1rck n LYS 62 Cb 0.24 2.35 -0.06 0.00 -1.84 0.00 0.00 35.03 35.71 1rck n LYS 62 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1rck n SER 63 N -1.41 6.51 0.06 4.39 2.88 -1.26 -4.22 113.62 120.57 1rck n SER 63 Ca -0.06 -3.12 0.00 0.00 -1.33 0.00 0.00 58.87 54.36 1rck n SER 63 Cb 0.56 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 1rck n SER 63 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rck n GLY 64 N 1.15 -1.86 0.00 0.46 0.00 -1.26 -5.18 105.19 98.50 1rck n GLY 64 Ca 0.50 0.51 0.00 0.00 0.00 0.00 0.00 46.02 47.03 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 -1.45 1.54 3.72 -0.02 0.00 -1.26 -5.12 105.19 102.60 1rck n GLY 65 Ca 0.00 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.90 2.26 -0.04 1.61 1.01 -1.26 -3.75 120.40 119.33 1rck s VAL 66 Ca 0.00 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.20 1rck s VAL 66 Cb 0.00 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.27 1rck s VAL 66 CO 0.00 0.02 -0.10 -0.31 0.00 0.00 0.00 175.10 174.71 1rck s TYR 67 N 1.00 1.12 0.00 5.22 2.02 -1.25 -4.99 117.35 120.47 1rck s TYR 67 Ca 0.71 -0.33 0.00 0.00 -0.37 0.00 0.00 57.07 57.08 1rck s TYR 67 Cb -0.47 -0.82 0.00 0.00 -0.40 0.00 0.00 41.96 40.27 1rck s TYR 67 CO 0.34 -0.17 0.00 2.41 -1.57 0.00 0.00 175.55 176.56 1rck n THR 68 N 3.55 0.00 0.00 -0.71 -1.04 -1.26 -4.55 114.28 110.26 1rck n THR 68 Ca -0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 1rck n THR 68 Cb 0.53 -0.31 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 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 1.77 -0.85 0.00 3.41 0.00 -1.26 -4.96 105.19 103.29 1rck n GLY 69 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 3.07 -0.73 0.57 -0.02 0.00 -1.26 -5.05 105.19 101.77 1rck n GLY 70 Ca 0.00 -1.34 0.01 0.00 0.00 0.00 0.00 46.02 44.69 1rck n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rck n SER 71 N 0.00 -3.08 0.00 1.61 7.64 -1.26 -4.86 113.62 113.67 1rck n SER 71 Ca 0.00 0.67 0.00 0.00 1.01 0.00 0.00 58.87 60.55 1rck n SER 71 Cb 0.00 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 61.89 1rck n SER 71 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1rck n PRO 72 N -2.04 0.00 -1.03 1.43 -0.04 -1.26 -5.00 135.00 127.06 1rck n PRO 72 Ca -0.00 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 1rck n PRO 72 Cb 0.19 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 1rck n PRO 72 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rck n GLY 73 N -0.90 0.51 0.07 0.55 0.00 -1.26 -4.99 105.19 99.17 1rck n GLY 73 Ca 0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 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 0.12 -2.66 4.61 0.00 -1.95 -3.42 119.26 115.96 1rck h ALA 74 Ca 0.00 -0.05 -0.53 0.00 0.00 0.00 0.00 54.91 54.33 1rck h ALA 74 Cb 0.69 -0.04 0.04 0.00 0.00 0.00 0.00 17.79 18.49 1rck h ALA 74 CO 0.00 -0.35 0.78 -0.51 0.00 0.00 0.00 179.25 179.18 1rck s ASP 75 N -5.37 6.68 -0.25 0.00 1.01 -1.26 -2.36 116.67 115.11 1rck s ASP 75 Ca -0.13 2.57 -0.17 0.00 0.71 0.00 0.00 52.55 55.53 1rck s ASP 75 Cb 0.06 -2.61 0.07 0.00 1.01 0.00 0.00 42.92 41.46 1rck s ASP 75 CO 0.68 -0.72 0.63 -0.13 0.21 0.00 0.00 175.17 175.84 1rck s ARG 76 N 0.39 0.67 0.09 8.23 0.52 -0.06 -1.40 118.95 127.39 1rck s ARG 76 Ca 0.63 1.06 -0.06 0.00 -0.52 0.00 0.00 55.73 56.85 1rck s ARG 76 Cb -0.41 0.17 -0.05 0.00 0.52 0.00 0.00 34.95 35.18 1rck s ARG 76 CO 0.37 -0.14 0.35 0.14 0.02 0.00 0.00 175.30 176.04 1rck s VAL 77 N 1.24 5.19 -0.15 3.52 -7.23 -0.04 -1.33 120.40 121.61 1rck s VAL 77 Ca -0.07 0.13 -0.00 0.00 -1.81 0.00 0.00 61.98 60.23 1rck s VAL 77 Cb -0.05 -3.62 0.03 0.00 0.56 0.00 0.00 36.38 33.30 1rck s VAL 77 CO -0.13 0.18 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.07 1rck s VAL 78 N -1.51 1.14 0.49 1.32 1.01 -0.85 -1.52 120.40 120.49 1rck s VAL 78 Ca 0.36 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 61.90 1rck s VAL 78 Cb -0.13 -1.23 0.05 0.00 0.00 0.00 0.00 36.38 35.07 1rck s VAL 78 CO 0.21 0.24 0.68 0.27 0.00 0.00 0.00 175.10 176.51 1rck s ILE 79 N 1.64 2.59 0.38 2.22 -4.36 -0.57 -0.79 121.20 122.31 1rck s ILE 79 Ca 0.03 -1.00 0.02 0.00 -0.26 0.00 0.00 60.65 59.43 1rck s ILE 79 Cb -0.14 -2.59 0.07 0.00 1.25 0.00 0.00 42.46 41.05 1rck s ILE 79 CO -0.08 0.00 0.52 -0.46 0.24 0.00 0.00 174.94 175.16 1rck n ASN 80 N -2.04 0.88 -1.84 4.36 6.94 0.17 -1.01 115.26 122.72 1rck n ASN 80 Ca 0.12 -1.70 -0.11 0.00 -0.02 0.00 0.00 54.58 52.87 1rck n ASN 80 Cb 0.60 -0.32 -0.02 0.00 -2.36 0.00 0.00 39.78 37.68 1rck n ASN 80 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 1rck n THR 81 N -2.04 2.59 0.00 5.53 5.66 -0.75 -4.30 114.28 120.97 1rck n THR 81 Ca 0.09 -1.36 0.00 0.00 -3.05 0.00 0.00 64.05 59.73 1rck n THR 81 Cb 0.33 -1.54 0.00 0.00 -1.55 0.00 0.00 70.33 67.57 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 1.20 0.00 0.00 1.09 3.02 -1.26 -4.97 115.26 114.34 1rck n ASN 82 Ca 0.23 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 1rck n ASN 82 Cb 0.60 0.32 0.00 0.00 -0.61 0.00 0.00 39.78 40.09 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 4.18 -0.24 0.00 2.12 -1.26 -4.85 118.70 118.64 1rck s GLU 84 Ca 0.00 1.29 -0.29 0.00 0.36 0.00 0.00 54.97 56.33 1rck s GLU 84 Cb 0.00 -3.70 -0.02 0.00 0.26 0.00 0.00 34.13 30.67 1rck s GLU 84 CO 0.00 -0.75 1.53 -0.47 -0.54 0.00 0.00 175.26 175.03 1rck s TYR 85 N 3.44 2.26 -0.11 5.30 5.04 -1.26 -0.66 117.35 131.36 1rck s TYR 85 Ca 0.46 0.63 -0.06 0.00 -2.44 0.00 0.00 57.07 55.66 1rck s TYR 85 Cb -0.15 -3.96 -0.05 0.00 0.35 0.00 0.00 41.96 38.15 1rck s TYR 85 CO 0.11 -2.62 0.17 0.00 -1.34 0.00 0.00 175.55 171.87 1rck h ALA 86 N 10.32 -0.01 -1.25 3.97 0.00 -1.26 -3.48 119.26 127.55 1rck h ALA 86 Ca -0.32 -0.10 0.20 0.00 0.00 0.00 0.00 54.91 54.69 1rck h ALA 86 Cb 1.14 0.01 -0.25 0.00 0.00 0.00 0.00 17.79 18.68 1rck h ALA 86 CO 1.01 -0.01 0.83 0.20 0.00 0.00 0.00 179.25 181.27 1rck s GLY 87 N -3.67 -0.06 -0.17 0.00 0.00 -1.05 -4.79 107.32 97.59 1rck s GLY 87 Ca -0.04 2.44 -0.12 0.00 0.00 0.00 0.00 44.72 47.00 1rck s GLY 87 CO 0.15 1.00 0.21 0.00 0.00 0.00 0.00 173.10 174.46 1rck s ALA 88 N -1.25 3.66 0.19 3.20 0.00 -1.26 -2.00 121.76 124.29 1rck s ALA 88 Ca 0.06 -0.57 0.04 0.00 0.00 0.00 0.00 51.96 51.50 1rck s ALA 88 Cb -0.01 -2.26 -0.05 0.00 0.00 0.00 0.00 23.12 20.80 1rck s ALA 88 CO -0.05 0.17 -0.06 0.96 0.00 0.00 0.00 175.76 176.78 1rck s ILE 89 N 0.26 1.15 -0.10 0.00 -4.36 -0.45 -1.96 121.20 115.75 1rck s ILE 89 Ca 0.13 -2.06 -0.24 0.00 -0.26 0.00 0.00 60.65 58.22 1rck s ILE 89 Cb -0.12 -2.09 0.06 0.00 1.25 0.00 0.00 42.46 41.55 1rck s ILE 89 CO 0.02 -0.54 0.57 0.28 0.24 0.00 0.00 174.94 175.50 1rck s THR 90 N -3.34 0.01 -0.04 8.37 -1.32 -0.26 -0.88 115.64 118.17 1rck s THR 90 Ca 0.22 -0.11 0.13 0.00 -1.21 0.00 0.00 61.69 60.73 1rck s THR 90 Cb 0.04 -0.86 -0.01 0.00 -1.51 0.00 0.00 72.50 70.16 1rck s THR 90 CO 0.05 -0.06 1.42 0.45 -2.21 0.00 0.00 174.62 174.27 1rck h HIS 91 N 3.89 0.00 -0.55 9.09 3.86 -1.67 -2.49 115.15 127.28 1rck h HIS 91 Ca -0.28 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 58.98 1rck h HIS 91 Cb 1.16 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.56 1rck h HIS 91 CO 0.42 0.64 -0.32 2.41 0.86 0.00 0.00 177.93 181.93 1rck n THR 92 N -3.29 -0.37 -1.73 2.45 -1.04 -1.26 -1.50 114.28 107.53 1rck n THR 92 Ca 0.01 1.34 -0.08 0.00 -2.04 0.00 0.00 64.05 63.28 1rck n THR 92 Cb 0.78 -1.65 0.13 0.00 -1.82 0.00 0.00 70.33 67.77 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 -1.14 5.61 0.00 3.41 0.00 -1.26 -4.88 105.19 106.93 1rck n GLY 93 Ca 0.01 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.96 0.00 0.04 4.61 0.00 -0.56 -4.90 120.51 118.74 1rck n ALA 94 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1rck n ALA 94 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.29 1rck n ALA 94 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1rck n SER 95 N -0.23 -0.77 0.00 0.00 2.88 -1.26 -5.00 113.62 109.23 1rck n SER 95 Ca 0.00 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1rck n SER 95 Cb 0.00 1.08 0.00 0.00 -0.75 0.00 0.00 64.21 64.54 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 -1.44 -1.83 0.08 0.46 0.00 -1.26 -4.95 105.19 96.24 1rck n GLY 96 Ca 0.00 0.70 -0.04 0.00 0.00 0.00 0.00 46.02 46.67 1rck n GLY 96 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1rck h ASN 97 N 0.00 0.00 -3.42 1.61 7.08 -1.99 -3.47 115.58 115.39 1rck h ASN 97 Ca 0.00 0.00 -0.44 0.00 -3.08 0.00 0.00 56.30 52.78 1rck h ASN 97 Cb 0.00 0.00 0.20 0.00 -2.08 0.00 0.00 38.32 36.44 1rck h ASN 97 CO 0.00 0.86 0.06 0.21 -2.08 0.00 0.00 177.43 176.47 1rck s ASN 98 N -6.64 1.34 0.15 6.14 2.47 -1.26 -4.99 114.94 112.15 1rck s ASN 98 Ca 0.02 1.44 0.06 0.00 0.42 0.00 0.00 52.86 54.80 1rck s ASN 98 Cb 0.09 -2.20 -0.04 0.00 -1.45 0.00 0.00 41.25 37.66 1rck s ASN 98 CO 0.80 -3.96 -0.14 -0.36 -3.72 0.00 0.00 177.10 169.71 1rck s PHE 99 N -2.58 1.49 0.04 0.43 0.08 -1.26 -4.37 117.98 111.81 1rck s PHE 99 Ca 0.68 -0.58 -0.03 0.00 0.12 0.00 0.00 56.93 57.11 1rck s PHE 99 Cb -0.23 -0.75 -0.02 0.00 -0.57 0.00 0.00 43.02 41.44 1rck s PHE 99 CO 0.63 0.20 0.03 0.14 -0.10 0.00 0.00 175.22 176.12 1rck s VAL 100 N -2.50 0.16 -0.01 -0.44 -7.23 -0.94 -4.92 120.40 104.53 1rck s VAL 100 Ca 0.14 -1.30 -0.30 0.00 -1.81 0.00 0.00 61.98 58.71 1rck s VAL 100 Cb -0.03 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.88 1rck s VAL 100 CO 0.04 -0.72 1.04 -0.83 -0.31 0.00 0.00 175.10 174.32 1rck s GLY 101 N -2.29 2.67 1.00 2.32 0.00 -1.26 -1.11 107.32 108.65 1rck s GLY 101 Ca -0.03 0.59 -0.17 0.00 0.00 0.00 0.00 44.72 45.11 1rck s GLY 101 CO -0.06 1.83 1.35 0.00 0.00 0.00 0.00 173.10 176.22 1rck s SER 103 N -4.95 6.46 0.00 0.00 1.04 -1.15 -2.43 113.70 112.66 1rck s SER 103 Ca 0.77 2.70 0.00 0.00 0.48 0.00 0.00 55.95 59.90 1rck s SER 103 Cb -0.02 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1rck s SER 103 CO 0.54 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 174.38 1rck n GLY 104 N 4.22 1.09 3.33 7.32 0.00 -1.26 -4.13 105.19 115.76 1rck n GLY 104 Ca 0.18 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.26 0.02 0.00 2.61 2.01 -1.02 -4.70 115.64 112.30 1rck s THR 105 Ca 0.00 -0.19 0.00 0.00 0.31 0.00 0.00 61.69 61.81 1rck s THR 105 Cb 0.00 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 71.83 1rck s THR 105 CO 0.00 -0.11 0.00 -3.20 -0.69 0.00 0.00 174.62 170.62