#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 -1.42 -3.60 -1.46 0.00 -1.26 -4.90 120.51 107.88 1rck n ALA 3 Ca 0.00 0.32 -0.29 0.00 0.00 0.00 0.00 53.44 53.47 1rck n ALA 3 Cb 0.00 -0.78 -0.13 0.00 0.00 0.00 0.00 19.45 18.54 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 -4.00 0.60 -0.79 0.00 -4.23 -1.06 -4.61 115.64 101.55 1rck s THR 4 Ca 0.00 -1.72 -0.22 0.00 -1.18 0.00 0.00 61.69 58.57 1rck s THR 4 Cb 0.00 -1.44 0.08 0.00 1.34 0.00 0.00 72.50 72.48 1rck s THR 4 CO 0.00 -0.86 1.10 -0.89 -0.54 0.00 0.00 174.62 173.43 1rck s THR 5 N 1.15 4.34 -1.07 3.99 2.01 -1.26 -2.17 115.64 122.63 1rck s THR 5 Ca 0.15 -0.70 -0.13 0.00 0.31 0.00 0.00 61.69 61.32 1rck s THR 5 Cb -0.21 -4.78 0.21 0.00 0.01 0.00 0.00 72.50 67.73 1rck s THR 5 CO -0.10 -1.56 1.17 0.00 -0.69 0.00 0.00 174.62 173.43 1rck n GLY 7 N 3.76 1.58 0.00 0.00 0.00 -1.26 -1.60 105.19 107.67 1rck n GLY 7 Ca 0.27 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 4.67 5.00 -4.56 1.61 3.41 -1.26 -4.93 113.62 117.55 1rck n SER 8 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 1rck n SER 8 Cb 0.00 0.84 -0.04 0.00 -0.26 0.00 0.00 64.21 64.75 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 -2.00 3.70 -0.55 6.66 2.01 -0.63 -4.94 115.64 119.90 1rck s THR 9 Ca 0.00 -0.48 -0.26 0.00 0.31 0.00 0.00 61.69 61.26 1rck s THR 9 Cb 0.00 -4.60 0.04 0.00 0.01 0.00 0.00 72.50 67.95 1rck s THR 9 CO 0.00 -1.51 1.02 0.20 -0.69 0.00 0.00 174.62 173.64 1rck s ASN 10 N 6.19 6.40 -0.10 3.53 0.01 -1.26 -1.73 114.94 127.97 1rck s ASN 10 Ca 0.55 -0.14 -0.09 0.00 -0.71 0.00 0.00 52.86 52.47 1rck s ASN 10 Cb -0.04 -2.47 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 1rck s ASN 10 CO -0.03 -1.28 0.21 -0.31 -1.51 0.00 0.00 177.10 174.18 1rck s TYR 11 N 4.22 3.61 0.57 2.20 2.02 -0.92 -5.00 117.35 124.06 1rck s TYR 11 Ca 0.35 0.62 -0.17 0.00 -0.37 0.00 0.00 57.07 57.50 1rck s TYR 11 Cb -0.11 -2.05 -0.04 0.00 -0.40 0.00 0.00 41.96 39.36 1rck s TYR 11 CO 0.22 0.66 1.08 0.45 -1.57 0.00 0.00 175.55 176.40 1rck s SER 12 N -0.87 5.75 0.54 2.29 0.15 -1.26 -2.58 113.70 117.72 1rck s SER 12 Ca 0.17 1.96 0.36 0.00 0.70 0.00 0.00 55.95 59.13 1rck s SER 12 Cb -0.13 -2.55 1.95 0.00 -1.71 0.00 0.00 66.02 63.58 1rck s SER 12 CO 0.06 -1.19 2.11 0.00 1.20 0.00 0.00 173.24 175.42 1rck h ALA 13 N 0.76 1.00 0.02 5.45 0.00 -1.91 0.98 119.26 125.56 1rck h ALA 13 Ca -0.48 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.17 1rck h ALA 13 Cb 1.23 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.04 1rck h ALA 13 CO 0.57 0.00 -1.05 1.03 0.00 0.00 0.00 179.25 179.80 1rck h SER 14 N 0.00 0.78 -0.19 0.00 0.87 -1.98 -2.70 113.55 110.33 1rck h SER 14 Ca 0.00 -0.65 -0.11 0.00 -1.23 0.00 0.00 61.79 59.80 1rck h SER 14 Cb 0.02 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 1rck h SER 14 CO 0.00 1.45 -0.25 -0.61 -0.53 0.00 0.00 176.83 176.89 1rck h GLN 15 N 0.32 0.65 -0.09 2.24 5.75 -1.17 0.26 115.11 123.07 1rck h GLN 15 Ca -0.12 -0.26 -0.02 0.00 -0.15 0.00 0.00 58.65 58.09 1rck h GLN 15 Cb 1.71 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 30.22 1rck h GLN 15 CO 0.20 0.84 -0.03 0.28 -2.65 0.00 0.00 178.83 177.48 1rck h VAL 16 N 0.57 1.30 -0.67 2.39 2.07 -1.48 -1.18 116.25 119.25 1rck h VAL 16 Ca 0.08 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 1rck h VAL 16 Cb 0.73 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 1rck h VAL 16 CO 0.06 0.27 0.27 -0.09 0.02 0.00 0.00 177.57 178.10 1rck h ARG 17 N -0.16 0.98 0.10 1.57 2.43 -1.37 -0.68 114.38 117.24 1rck h ARG 17 Ca 0.02 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1rck h ARG 17 Cb 0.44 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1rck h ARG 17 CO 0.01 0.80 -0.05 0.00 -1.51 0.00 0.00 179.97 179.22 1rck h ALA 18 N 1.33 -0.13 -0.85 2.80 0.00 -0.90 0.16 119.26 121.68 1rck h ALA 18 Ca 0.23 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1rck h ALA 18 Cb 0.18 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 1rck h ALA 18 CO -0.02 -0.32 0.51 0.00 0.00 0.00 0.00 179.25 179.42 1rck h ALA 19 N 0.16 1.21 0.00 0.00 0.00 -1.14 -1.81 119.26 117.68 1rck h ALA 19 Ca -0.01 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1rck h ALA 19 Cb 0.51 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1rck h ALA 19 CO 0.02 0.16 -0.60 0.00 0.00 0.00 0.00 179.25 178.84 1rck h ALA 20 N 1.45 0.65 0.00 0.00 0.00 -1.15 -2.85 119.26 117.36 1rck h ALA 20 Ca 0.40 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1rck h ALA 20 Cb 0.32 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1rck h ALA 20 CO -0.23 0.69 -0.22 -0.97 0.00 0.00 0.00 179.25 178.52 1rck h ASN 21 N 0.00 0.00 0.02 0.00 -0.73 0.15 -0.28 115.58 114.74 1rck h ASN 21 Ca -0.02 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.15 1rck h ASN 21 Cb 1.42 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.01 1rck h ASN 21 CO 0.07 0.22 -0.01 0.00 -0.37 0.00 0.00 177.43 177.34 1rck h ALA 22 N 1.78 -0.02 -0.51 1.57 0.00 -1.37 -2.60 119.26 118.11 1rck h ALA 22 Ca -0.00 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.80 1rck h ALA 22 Cb 0.64 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 1rck h ALA 22 CO 0.03 -0.03 -0.21 0.00 0.00 0.00 0.00 179.25 179.04 1rck h ALA 23 N -0.56 0.17 -0.25 0.00 0.00 -1.44 -1.45 119.26 115.73 1rck h ALA 23 Ca -0.00 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1rck h ALA 23 Cb 0.44 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1rck h ALA 23 CO 0.00 -0.54 0.13 0.00 0.00 0.00 0.00 179.25 178.84 1rck h GLN 25 N 0.28 -0.11 -0.08 0.00 4.15 -1.09 -2.62 115.11 115.64 1rck h GLN 25 Ca 0.09 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 1rck h GLN 25 Cb 0.09 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 1rck h GLN 25 CO -0.01 0.07 -0.05 1.88 -1.93 0.00 0.00 178.83 178.78 1rck h TYR 26 N -0.28 0.21 0.00 3.99 0.05 -1.32 -2.56 116.97 117.06 1rck h TYR 26 Ca -0.01 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 1rck h TYR 26 Cb 0.23 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 37.93 1rck h TYR 26 CO -0.02 0.58 -0.04 -0.92 -1.05 0.00 0.00 178.16 176.71 1rck h TYR 27 N -0.21 0.00 -0.36 4.88 3.20 -1.29 -1.67 116.97 121.52 1rck h TYR 27 Ca 0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1rck h TYR 27 Cb 0.53 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.80 1rck h TYR 27 CO 0.08 0.04 0.00 1.04 -1.64 0.00 0.00 178.16 177.67 1rck n GLN 28 N -3.34 2.84 -2.78 1.82 1.13 -0.99 -4.73 117.38 111.33 1rck n GLN 28 Ca -0.02 -2.07 -0.10 0.00 -1.94 0.00 0.00 57.00 52.87 1rck n GLN 28 Cb 0.17 -1.29 0.07 0.00 0.11 0.00 0.00 30.24 29.31 1rck n GLN 28 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1rck n ASN 29 N 0.58 -2.10 -2.38 1.08 5.15 -0.97 -5.04 115.26 111.58 1rck n ASN 29 Ca 0.12 -3.59 -0.04 0.00 -0.60 0.00 0.00 54.58 50.47 1rck n ASN 29 Cb 0.44 1.67 -0.04 0.00 -0.53 0.00 0.00 39.78 41.32 1rck n ASN 29 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1rck n ASP 30 N 0.51 -1.18 -4.63 1.20 2.03 -1.19 -4.78 116.55 108.52 1rck n ASP 30 Ca 0.08 1.08 -0.43 0.00 0.52 0.00 0.00 54.79 56.05 1rck n ASP 30 Cb 0.69 -4.41 -0.03 0.00 -0.72 0.00 0.00 41.12 36.64 1rck n ASP 30 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 1rck s ASP 31 N -0.60 5.96 0.00 1.67 1.47 -0.66 -4.81 116.67 119.70 1rck s ASP 31 Ca -0.21 2.16 0.00 0.00 1.18 0.00 0.00 52.55 55.67 1rck s ASP 31 Cb 0.01 -2.52 0.00 0.00 -0.34 0.00 0.00 42.92 40.07 1rck s ASP 31 CO 0.64 -1.52 0.00 0.35 0.68 0.00 0.00 175.17 175.32 1rck n THR 32 N 6.72 0.00 -1.49 2.11 -2.24 -1.26 -5.04 114.28 113.08 1rck n THR 32 Ca 0.24 0.11 0.20 0.00 -2.27 0.00 0.00 64.05 62.33 1rck n THR 32 Cb 0.43 -1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 67.61 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 -1.72 -3.73 0.11 6.98 0.00 -1.26 -4.61 120.51 116.28 1rck n ALA 33 Ca 0.00 0.45 -0.05 0.00 0.00 0.00 0.00 53.44 53.84 1rck n ALA 33 Cb 0.00 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.14 1rck n ALA 33 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1rck h GLY 34 N -1.34 -0.35 0.00 0.00 0.00 -1.94 -3.45 103.07 95.99 1rck h GLY 34 Ca 0.03 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1rck h GLY 34 CO 0.01 -0.13 0.00 -1.14 0.00 0.00 0.00 176.54 175.28 1rck n SER 35 N -4.28 0.00 0.02 0.19 3.41 -1.26 -5.09 113.62 106.60 1rck n SER 35 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1rck n SER 35 Cb 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1rck n SER 35 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1rck n SER 36 N 0.00 -0.30 -1.08 4.04 3.41 -1.26 -4.97 113.62 113.46 1rck n SER 36 Ca 0.00 0.10 -0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1rck n SER 36 Cb 0.00 0.53 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 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 -2.38 1.16 -3.25 6.66 5.66 -1.26 -4.44 114.28 116.43 1rck n THR 37 Ca 0.00 -0.09 0.04 0.00 -3.05 0.00 0.00 64.05 60.94 1rck n THR 37 Cb 0.00 -1.06 -0.02 0.00 -1.55 0.00 0.00 70.33 67.69 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 -0.04 -0.75 0.14 1.09 2.02 -1.26 -4.37 117.35 114.18 1rck s TYR 38 Ca 0.01 0.98 -0.30 0.00 -0.37 0.00 0.00 57.07 57.39 1rck s TYR 38 Cb 0.01 0.33 -0.07 0.00 -0.40 0.00 0.00 41.96 41.83 1rck s TYR 38 CO 0.00 -0.40 1.08 -1.25 -1.57 0.00 0.00 175.55 173.41 1rck s PRO 39 N 2.74 4.59 0.15 -1.71 0.04 -1.26 -4.61 135.00 134.95 1rck s PRO 39 Ca 0.02 1.65 -0.18 0.00 0.04 0.00 0.00 61.00 62.53 1rck s PRO 39 Cb -0.09 -3.32 0.04 0.00 0.04 0.00 0.00 34.50 31.17 1rck s PRO 39 CO -0.15 0.05 0.47 -3.38 0.04 0.00 0.00 177.00 174.03 1rck s HIS 40 N 0.05 -0.23 0.46 0.56 -3.43 -1.25 -4.93 115.29 106.52 1rck s HIS 40 Ca 0.50 -0.08 -0.25 0.00 -0.80 0.00 0.00 55.06 54.43 1rck s HIS 40 Cb -0.28 0.34 -0.08 0.00 -1.43 0.00 0.00 32.58 31.14 1rck s HIS 40 CO 0.33 -0.79 1.41 -0.08 -2.00 0.00 0.00 174.74 173.61 1rck s THR 41 N -3.82 2.09 -0.17 -5.38 -1.32 -1.26 -2.46 115.64 103.33 1rck s THR 41 Ca 0.05 0.08 -0.28 0.00 -1.21 0.00 0.00 61.69 60.33 1rck s THR 41 Cb 0.01 -3.05 -0.00 0.00 -1.51 0.00 0.00 72.50 67.94 1rck s THR 41 CO -0.09 0.01 0.97 -0.47 -2.21 0.00 0.00 174.62 172.82 1rck s TYR 42 N -1.22 3.42 0.91 9.09 6.14 -0.99 -4.83 117.35 129.87 1rck s TYR 42 Ca 0.62 1.44 -0.11 0.00 0.64 0.00 0.00 57.07 59.67 1rck s TYR 42 Cb -0.43 -3.17 0.14 0.00 0.42 0.00 0.00 41.96 38.92 1rck s TYR 42 CO 0.55 -0.33 1.11 -0.80 0.64 0.00 0.00 175.55 176.72 1rck s ASN 43 N 1.16 3.16 -0.98 4.32 0.01 -1.26 -4.98 114.94 116.37 1rck s ASN 43 Ca 0.44 1.90 -0.03 0.00 -0.71 0.00 0.00 52.86 54.46 1rck s ASN 43 Cb -0.17 -2.46 0.28 0.00 0.41 0.00 0.00 41.25 39.32 1rck s ASN 43 CO 0.12 -2.90 1.20 0.59 -1.51 0.00 0.00 177.10 174.60 1rck n ASN 44 N -4.08 5.51 0.00 -1.22 4.13 -1.26 -4.89 115.26 113.45 1rck n ASN 44 Ca 0.09 -3.33 0.00 0.00 1.68 0.00 0.00 54.58 53.03 1rck n ASN 44 Cb 0.53 -1.15 0.00 0.00 -1.54 0.00 0.00 39.78 37.62 1rck n ASN 44 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rck n TYR 45 N 1.57 0.00 0.15 3.10 4.19 -1.26 -5.06 117.16 119.85 1rck n TYR 45 Ca 0.26 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.47 1rck n TYR 45 Cb 0.36 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.19 1rck n TYR 45 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1rck n GLU 46 N -0.06 0.00 -1.88 2.98 1.02 -1.26 -5.13 120.64 116.31 1rck n GLU 46 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 1rck n GLU 46 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 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 -2.68 2.22 0.42 0.62 0.00 -1.26 -4.86 107.32 101.77 1rck s GLY 47 Ca 0.00 1.46 0.00 0.00 0.00 0.00 0.00 44.72 46.18 1rck s GLY 47 CO 0.00 2.42 0.00 0.69 0.00 0.00 0.00 173.10 176.21 1rck n PHE 48 N 2.21 -2.70 -3.48 1.90 3.72 -1.26 -5.08 117.46 112.77 1rck n PHE 48 Ca 0.07 1.48 -0.11 0.00 -0.05 0.00 0.00 57.45 58.85 1rck n PHE 48 Cb 0.39 -2.46 -0.02 0.00 -0.94 0.00 0.00 39.48 36.45 1rck n PHE 48 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1rck s ASP 49 N -6.45 -0.49 -0.45 4.37 2.15 -1.26 -5.00 116.67 109.53 1rck s ASP 49 Ca 0.00 -0.05 0.05 0.00 0.43 0.00 0.00 52.55 52.97 1rck s ASP 49 Cb 0.00 0.56 0.18 0.00 -0.30 0.00 0.00 42.92 43.36 1rck s ASP 49 CO 0.00 -0.92 0.39 0.49 -0.17 0.00 0.00 175.17 174.96 1rck n PHE 50 N -0.36 -0.31 -1.61 -5.34 3.01 -1.26 -4.96 117.46 106.63 1rck n PHE 50 Ca -0.14 -3.47 -0.42 0.00 1.01 0.00 0.00 57.45 54.44 1rck n PHE 50 Cb 0.64 0.08 -0.02 0.00 -0.01 0.00 0.00 39.48 40.16 1rck n PHE 50 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1rck n PRO 51 N 2.53 2.36 0.01 -1.08 -0.04 -1.26 -4.23 135.00 133.29 1rck n PRO 51 Ca 0.28 -2.39 -0.00 0.00 -0.04 0.00 0.00 63.50 61.35 1rck n PRO 51 Cb 0.47 -3.20 -0.00 0.00 -0.04 0.00 0.00 33.50 30.73 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 5.63 0.35 -2.73 0.52 0.31 -1.26 -5.03 118.33 116.12 1rck n VAL 52 Ca 0.51 0.12 -0.04 0.00 -0.01 0.00 0.00 64.34 64.91 1rck n VAL 52 Cb 0.40 -1.17 0.02 0.00 -0.91 0.00 0.00 33.84 32.19 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 -2.78 -2.70 -4.79 4.52 2.03 -1.26 -5.17 116.55 106.41 1rck n ASP 53 Ca -0.00 -2.28 -0.30 0.00 0.52 0.00 0.00 54.79 52.72 1rck n ASP 53 Cb 0.00 1.40 0.08 0.00 -0.72 0.00 0.00 41.12 41.88 1rck n ASP 53 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1rck s GLY 54 N 0.65 1.65 0.58 0.27 0.00 -1.26 -4.38 107.32 104.83 1rck s GLY 54 Ca 0.28 0.01 -0.17 0.00 0.00 0.00 0.00 44.72 44.84 1rck s GLY 54 CO -0.09 0.39 1.08 2.56 0.00 0.00 0.00 173.10 177.05 1rck s PRO 55 N -5.03 3.28 0.22 2.90 0.04 -1.26 -4.93 135.00 130.21 1rck s PRO 55 Ca 0.60 1.37 0.11 0.00 0.04 0.00 0.00 61.00 63.12 1rck s PRO 55 Cb -0.15 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 1rck s PRO 55 CO 0.55 -0.87 -0.20 1.52 0.04 0.00 0.00 177.00 178.04 1rck s TYR 56 N -2.19 2.13 0.11 0.56 -0.85 -1.26 -1.55 117.35 114.30 1rck s TYR 56 Ca 0.67 -0.39 0.07 0.00 -0.52 0.00 0.00 57.07 56.89 1rck s TYR 56 Cb -0.19 -1.01 -0.04 0.00 0.38 0.00 0.00 41.96 41.11 1rck s TYR 56 CO 0.33 0.52 -0.17 -0.65 -1.52 0.00 0.00 175.55 174.07 1rck s GLN 57 N -3.07 1.04 0.28 -3.49 1.11 -0.33 -2.36 119.66 112.84 1rck s GLN 57 Ca 0.23 -1.18 -0.02 0.00 0.01 0.00 0.00 55.36 54.40 1rck s GLN 57 Cb -0.06 -1.08 -0.04 0.00 -1.01 0.00 0.00 33.01 30.82 1rck s GLN 57 CO 0.11 0.23 0.51 -1.21 0.01 0.00 0.00 175.29 174.94 1rck s GLU 58 N -2.28 3.56 -0.29 2.91 2.02 -1.03 -1.36 118.70 122.23 1rck s GLU 58 Ca 0.07 -0.18 -0.03 0.00 0.02 0.00 0.00 54.97 54.84 1rck s GLU 58 Cb -0.08 -2.70 0.17 0.00 0.10 0.00 0.00 34.13 31.62 1rck s GLU 58 CO 0.04 0.24 0.60 0.12 0.02 0.00 0.00 175.26 176.28 1rck s PHE 59 N -2.10 -1.48 -0.08 1.61 2.19 -0.76 -3.94 117.98 113.43 1rck s PHE 59 Ca 0.41 1.82 -0.28 0.00 0.33 0.00 0.00 56.93 59.21 1rck s PHE 59 Cb -0.10 0.59 -0.02 0.00 -1.31 0.00 0.00 43.02 42.18 1rck s PHE 59 CO 0.31 -0.81 0.92 -1.25 1.83 0.00 0.00 175.22 176.23 1rck s PRO 60 N 2.85 4.45 0.67 10.12 0.04 -1.26 -1.44 135.00 150.42 1rck s PRO 60 Ca 0.13 1.26 -0.07 0.00 0.04 0.00 0.00 61.00 62.36 1rck s PRO 60 Cb -0.14 -3.51 0.04 0.00 0.04 0.00 0.00 34.50 30.93 1rck s PRO 60 CO -0.20 -0.18 1.00 -1.50 0.04 0.00 0.00 177.00 176.16 1rck s ILE 61 N 1.54 2.95 -0.01 0.56 2.07 -0.81 -4.87 121.20 122.63 1rck s ILE 61 Ca 0.46 -0.03 -0.04 0.00 -1.41 0.00 0.00 60.65 59.63 1rck s ILE 61 Cb -0.19 -3.24 0.00 0.00 0.13 0.00 0.00 42.46 39.16 1rck s ILE 61 CO 0.20 -0.27 0.08 -0.54 -1.91 0.00 0.00 174.94 172.50 1rck s LYS 62 N -5.19 0.27 -1.14 3.50 -0.14 -1.26 -4.73 119.74 111.04 1rck s LYS 62 Ca 0.58 -0.20 -0.05 0.00 -1.36 0.00 0.00 55.97 54.94 1rck s LYS 62 Cb -0.11 0.11 0.14 0.00 -1.68 0.00 0.00 37.83 36.29 1rck s LYS 62 CO 0.46 -0.05 2.38 0.45 -0.76 0.00 0.00 175.35 177.83 1rck n SER 63 N 2.21 7.72 0.08 2.83 2.88 -1.26 -4.22 113.62 123.87 1rck n SER 63 Ca -0.18 -3.23 0.00 0.00 -1.33 0.00 0.00 58.87 54.13 1rck n SER 63 Cb 0.57 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 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 1.34 -1.81 3.52 0.46 0.00 -1.26 -5.17 105.19 102.27 1rck n GLY 64 Ca 0.58 0.51 -0.08 0.00 0.00 0.00 0.00 46.02 47.04 1rck n GLY 64 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rck s GLY 65 N -1.52 -0.43 0.63 -0.02 0.00 -1.26 -5.14 107.32 99.57 1rck s GLY 65 Ca 0.00 1.14 -0.14 0.00 0.00 0.00 0.00 44.72 45.72 1rck s GLY 65 CO 0.00 0.40 1.06 0.54 0.00 0.00 0.00 173.10 175.09 1rck s VAL 66 N -2.92 3.89 -0.75 1.40 0.11 -1.26 -4.34 120.40 116.53 1rck s VAL 66 Ca 0.05 0.80 -0.03 0.00 -2.93 0.00 0.00 61.98 59.87 1rck s VAL 66 Cb -0.01 -3.39 -0.03 0.00 -1.53 0.00 0.00 36.38 31.42 1rck s VAL 66 CO -0.08 -0.62 0.64 0.00 -3.33 0.00 0.00 175.10 171.71 1rck n TYR 67 N -2.40 -1.61 -3.93 1.54 4.19 -1.26 -5.06 117.16 108.63 1rck n TYR 67 Ca 0.08 0.60 -0.10 0.00 3.31 0.00 0.00 57.90 61.80 1rck n TYR 67 Cb 0.53 -3.77 -0.06 0.00 0.49 0.00 0.00 39.34 36.53 1rck n TYR 67 CO 0.00 0.00 0.00 0.95 0.91 0.00 0.00 176.86 178.72 1rck s THR 68 N -3.26 0.04 -0.01 2.97 -4.23 -1.26 -4.97 115.64 104.92 1rck s THR 68 Ca 0.21 -1.28 -0.07 0.00 -1.18 0.00 0.00 61.69 59.36 1rck s THR 68 Cb -0.03 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 71.93 1rck s THR 68 CO 0.50 -0.19 0.15 -0.83 -0.54 0.00 0.00 174.62 173.71 1rck s GLY 69 N -2.96 0.01 0.27 3.99 0.00 -1.26 -5.01 107.32 102.35 1rck s GLY 69 Ca 0.17 -0.01 -0.17 0.00 0.00 0.00 0.00 44.72 44.72 1rck s GLY 69 CO 0.02 -0.13 0.61 -0.32 0.00 0.00 0.00 173.10 173.27 1rck s GLY 70 N -1.10 0.21 0.04 0.20 0.00 -1.26 -5.11 107.32 100.31 1rck s GLY 70 Ca -0.12 -0.58 -0.14 0.00 0.00 0.00 0.00 44.72 43.88 1rck s GLY 70 CO 0.01 -0.34 1.22 0.23 0.00 0.00 0.00 173.10 174.22 1rck h SER 71 N 2.12 -0.61 -4.00 1.64 0.87 -2.06 -3.43 113.55 108.08 1rck h SER 71 Ca -0.22 0.06 -0.50 0.00 -1.23 0.00 0.00 61.79 59.90 1rck h SER 71 Cb 1.25 0.22 0.05 0.00 -0.44 0.00 0.00 62.40 63.47 1rck h SER 71 CO 0.29 -0.24 0.45 -2.16 -0.53 0.00 0.00 176.83 174.64 1rck s PRO 72 N -4.12 3.87 -0.23 2.24 0.04 -1.26 -5.05 135.00 130.49 1rck s PRO 72 Ca -0.07 1.65 -0.21 0.00 0.04 0.00 0.00 61.00 62.42 1rck s PRO 72 Cb 0.02 -2.41 0.06 0.00 0.04 0.00 0.00 34.50 32.21 1rck s PRO 72 CO 0.24 -0.43 0.61 0.20 0.04 0.00 0.00 177.00 177.66 1rck s GLY 73 N -1.49 -0.46 0.00 0.56 0.00 -1.26 -5.03 107.32 99.64 1rck s GLY 73 Ca 0.62 1.73 0.00 0.00 0.00 0.00 0.00 44.72 47.07 1rck s GLY 73 CO 0.31 1.50 0.00 0.00 0.00 0.00 0.00 173.10 174.91 1rck n ALA 74 N 2.82 0.00 -2.63 3.20 0.00 -1.26 -4.98 120.51 117.66 1rck n ALA 74 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 1rck n ALA 74 Cb 0.56 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.95 1rck n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rck s ASP 75 N -0.55 6.67 -0.02 0.00 1.11 -1.26 -2.31 116.67 120.30 1rck s ASP 75 Ca 0.00 0.82 0.00 0.00 0.18 0.00 0.00 52.55 53.55 1rck s ASP 75 Cb 0.00 -2.37 0.03 0.00 1.07 0.00 0.00 42.92 41.65 1rck s ASP 75 CO 0.00 -0.42 0.02 -0.13 1.18 0.00 0.00 175.17 175.82 1rck s ARG 76 N 2.61 0.11 0.09 8.23 0.52 -0.46 -1.92 118.95 128.13 1rck s ARG 76 Ca 0.29 0.13 -0.05 0.00 -0.52 0.00 0.00 55.73 55.58 1rck s ARG 76 Cb -0.15 -0.34 -0.05 0.00 0.52 0.00 0.00 34.95 34.93 1rck s ARG 76 CO 0.08 -0.14 0.33 0.14 0.02 0.00 0.00 175.30 175.73 1rck s VAL 77 N 0.98 5.22 -0.01 3.52 -7.23 -0.52 -1.20 120.40 121.16 1rck s VAL 77 Ca -0.09 0.06 0.01 0.00 -1.81 0.00 0.00 61.98 60.15 1rck s VAL 77 Cb -0.13 -3.61 0.00 0.00 0.56 0.00 0.00 36.38 33.21 1rck s VAL 77 CO -0.02 0.16 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.20 1rck s VAL 78 N -1.52 0.33 0.49 1.32 1.01 -0.69 -1.82 120.40 119.51 1rck s VAL 78 Ca 0.36 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.25 1rck s VAL 78 Cb -0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 1rck s VAL 78 CO 0.22 0.12 0.10 0.27 0.00 0.00 0.00 175.10 175.81 1rck s ILE 79 N 0.19 1.51 0.36 2.22 -4.36 -0.46 -1.09 121.20 119.56 1rck s ILE 79 Ca -0.02 -1.86 0.04 0.00 -0.26 0.00 0.00 60.65 58.54 1rck s ILE 79 Cb -0.05 -2.37 -0.01 0.00 1.25 0.00 0.00 42.46 41.28 1rck s ILE 79 CO -0.00 0.00 0.52 0.20 0.24 0.00 0.00 174.94 175.90 1rck s ASN 80 N -3.94 6.02 0.00 4.36 -0.87 0.42 -1.19 114.94 119.74 1rck s ASN 80 Ca 0.19 0.07 0.12 0.00 -1.57 0.00 0.00 52.86 51.68 1rck s ASN 80 Cb 0.02 -1.51 0.74 0.00 -0.02 0.00 0.00 41.25 40.48 1rck s ASN 80 CO 0.11 -0.44 1.22 1.07 -2.57 0.00 0.00 177.10 176.48 1rck n THR 81 N -1.76 0.00 0.00 1.60 5.66 -0.60 -3.67 114.28 115.52 1rck n THR 81 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1rck n THR 81 Cb 0.58 -0.50 0.00 0.00 -1.55 0.00 0.00 70.33 68.85 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 -0.81 0.00 0.00 1.09 4.13 -1.26 -4.99 115.26 113.42 1rck n ASN 82 Ca 0.09 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.35 1rck n ASN 82 Cb 0.04 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.28 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 0.00 4.26 0.09 0.00 8.01 -1.26 -4.81 118.70 124.98 1rck s GLU 84 Ca 0.00 1.19 -0.31 0.00 0.01 0.00 0.00 54.97 55.86 1rck s GLU 84 Cb 0.00 -2.30 -0.07 0.00 -4.31 0.00 0.00 34.13 27.46 1rck s GLU 84 CO 0.00 -0.01 1.31 -0.47 0.01 0.00 0.00 175.26 176.10 1rck s TYR 85 N -2.05 3.32 -0.22 1.61 6.14 -1.26 -0.43 117.35 124.45 1rck s TYR 85 Ca 0.60 1.10 -0.18 0.00 0.64 0.00 0.00 57.07 59.23 1rck s TYR 85 Cb -0.12 -3.57 -0.15 0.00 0.42 0.00 0.00 41.96 38.55 1rck s TYR 85 CO 0.16 -1.91 -0.01 0.00 0.64 0.00 0.00 175.55 174.43 1rck n ALA 86 N 3.98 0.85 -3.00 3.97 0.00 -0.25 -4.81 120.51 121.25 1rck n ALA 86 Ca 0.10 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1rck n ALA 86 Cb 0.44 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 1.41 1.02 3.32 0.00 0.00 -0.80 -4.88 105.19 105.25 1rck n GLY 87 Ca -0.34 -0.78 -0.04 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.00 -1.60 0.26 4.61 0.00 -1.26 -1.71 121.76 121.06 1rck s ALA 88 Ca 0.00 1.74 0.08 0.00 0.00 0.00 0.00 51.96 53.78 1rck s ALA 88 Cb 0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 1rck s ALA 88 CO 0.00 -0.98 0.14 0.96 0.00 0.00 0.00 175.76 175.89 1rck s ILE 89 N 2.73 4.11 -0.07 0.00 -4.36 -0.34 -0.91 121.20 122.37 1rck s ILE 89 Ca 0.03 -1.55 -0.30 0.00 -0.26 0.00 0.00 60.65 58.56 1rck s ILE 89 Cb -0.13 -3.23 0.07 0.00 1.25 0.00 0.00 42.46 40.42 1rck s ILE 89 CO -0.16 -0.35 0.68 0.28 0.24 0.00 0.00 174.94 175.63 1rck s THR 90 N -2.20 0.00 0.07 8.37 -1.32 0.04 -1.35 115.64 119.24 1rck s THR 90 Ca 0.33 -0.01 -0.07 0.00 -1.21 0.00 0.00 61.69 60.73 1rck s THR 90 Cb -0.07 -0.99 -0.30 0.00 -1.51 0.00 0.00 72.50 69.63 1rck s THR 90 CO 0.24 -0.00 1.12 0.45 -2.21 0.00 0.00 174.62 174.21 1rck h HIS 91 N 3.20 0.63 -0.70 9.09 3.86 -1.67 -2.28 115.15 127.28 1rck h HIS 91 Ca -0.27 -0.45 0.07 0.00 -1.16 0.00 0.00 60.37 58.56 1rck h HIS 91 Cb 1.14 -0.03 -0.09 0.00 1.06 0.00 0.00 27.41 29.50 1rck h HIS 91 CO 0.38 1.35 -0.39 2.41 0.86 0.00 0.00 177.93 182.54 1rck n THR 92 N -3.59 -0.46 -0.12 2.45 -1.04 -1.26 -0.68 114.28 109.58 1rck n THR 92 Ca -0.10 1.69 -0.00 0.00 -2.04 0.00 0.00 64.05 63.59 1rck n THR 92 Cb 1.03 -2.11 0.26 0.00 -1.82 0.00 0.00 70.33 67.70 1rck n THR 92 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1rck h GLY 93 N 0.00 0.85 0.00 3.41 0.00 -1.79 -3.44 103.07 102.10 1rck h GLY 93 Ca 0.13 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1rck h GLY 93 CO -0.67 0.38 0.00 0.00 0.00 0.00 0.00 176.54 176.26 1rck n ALA 94 N -2.45 0.00 -1.01 3.60 0.00 0.15 -5.01 120.51 115.79 1rck n ALA 94 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1rck n ALA 94 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 0.00 0.00 0.00 0.00 2.88 -1.26 -5.04 113.62 110.20 1rck n SER 95 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1rck n SER 95 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 2.57 -0.02 0.11 0.46 0.00 -1.26 -4.92 105.19 102.13 1rck n GLY 96 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.08 1.61 7.08 -1.97 -3.46 115.58 114.76 1rck h ASN 97 Ca 0.00 0.00 -0.55 0.00 -3.08 0.00 0.00 56.30 52.67 1rck h ASN 97 Cb 0.00 0.00 0.17 0.00 -2.08 0.00 0.00 38.32 36.41 1rck h ASN 97 CO 0.00 0.71 0.42 -3.20 -2.08 0.00 0.00 177.43 173.27 1rck n ASN 98 N -3.29 1.62 -4.40 6.14 5.15 -1.26 -4.99 115.26 114.24 1rck n ASN 98 Ca 0.01 0.75 -0.28 0.00 -0.60 0.00 0.00 54.58 54.46 1rck n ASN 98 Cb 0.82 -1.53 -0.13 0.00 -0.53 0.00 0.00 39.78 38.41 1rck n ASN 98 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1rck s PHE 99 N -1.62 2.30 0.18 1.20 0.08 -1.26 -4.42 117.98 114.44 1rck s PHE 99 Ca 0.79 -0.38 -0.09 0.00 0.12 0.00 0.00 56.93 57.38 1rck s PHE 99 Cb -0.35 -1.22 -0.01 0.00 -0.57 0.00 0.00 43.02 40.87 1rck s PHE 99 CO 0.44 0.38 0.30 0.14 -0.10 0.00 0.00 175.22 176.38 1rck s VAL 100 N -1.21 0.05 0.37 -0.44 -7.23 -0.86 -4.93 120.40 106.15 1rck s VAL 100 Ca 0.16 -1.42 -0.06 0.00 -1.81 0.00 0.00 61.98 58.84 1rck s VAL 100 Cb -0.09 -1.93 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 1rck s VAL 100 CO 0.07 -0.24 0.66 -0.83 -0.31 0.00 0.00 175.10 174.45 1rck s GLY 101 N -2.99 1.76 0.00 2.32 0.00 -1.26 -0.78 107.32 106.37 1rck s GLY 101 Ca 0.19 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.43 1rck s GLY 101 CO 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 173.10 172.77 1rck s SER 103 N -0.95 5.90 0.00 0.00 0.15 -1.22 -2.89 113.70 114.69 1rck s SER 103 Ca 0.00 2.12 0.00 0.00 0.70 0.00 0.00 55.95 58.77 1rck s SER 103 Cb 0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1rck s SER 103 CO 0.00 -1.57 0.00 0.61 1.20 0.00 0.00 173.24 173.48 1rck n GLY 104 N 5.22 0.87 3.40 9.45 0.00 -1.26 -4.59 105.19 118.27 1rck n GLY 104 Ca 0.25 -0.38 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.81 -0.68 0.00 2.61 2.01 -1.14 -4.30 115.64 111.33 1rck s THR 105 Ca 0.00 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1rck s THR 105 Cb 0.00 -0.78 0.00 0.00 0.01 0.00 0.00 72.50 71.73 1rck s THR 105 CO 0.00 0.04 0.00 -3.20 -0.69 0.00 0.00 174.62 170.77