#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 1.31 -4.08 7.33 0.00 -1.26 -4.64 120.51 119.16 1rck n ALA 3 Ca 0.00 0.09 -0.32 0.00 0.00 0.00 0.00 53.44 53.21 1rck n ALA 3 Cb 0.00 -2.32 -0.16 0.00 0.00 0.00 0.00 19.45 16.97 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 -1.33 1.90 -0.26 0.00 -4.23 -1.00 -4.71 115.64 106.00 1rck s THR 4 Ca 0.74 -0.89 0.02 0.00 -1.18 0.00 0.00 61.69 60.39 1rck s THR 4 Cb -0.41 -1.76 0.07 0.00 1.34 0.00 0.00 72.50 71.73 1rck s THR 4 CO 0.47 0.47 -0.06 -0.89 -0.54 0.00 0.00 174.62 174.07 1rck s THR 5 N 1.35 1.94 -0.23 3.99 2.01 -1.26 -0.74 115.64 122.70 1rck s THR 5 Ca 0.04 -1.60 0.01 0.00 0.31 0.00 0.00 61.69 60.45 1rck s THR 5 Cb -0.13 -2.16 0.06 0.00 0.01 0.00 0.00 72.50 70.27 1rck s THR 5 CO -0.12 -0.15 -0.05 0.00 -0.69 0.00 0.00 174.62 173.61 1rck n GLY 7 N 4.68 1.77 2.69 0.00 0.00 -1.26 -2.50 105.19 110.58 1rck n GLY 7 Ca -0.12 0.23 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 1rck n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rck n SER 8 N 4.17 -1.24 -3.49 1.61 2.88 -1.26 -4.92 113.62 111.37 1rck n SER 8 Ca 0.00 -2.37 -0.27 0.00 -1.33 0.00 0.00 58.87 54.90 1rck n SER 8 Cb 0.00 0.67 -0.13 0.00 -0.75 0.00 0.00 64.21 64.00 1rck n SER 8 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1rck s THR 9 N -0.37 -0.08 0.12 2.46 2.01 -1.04 -5.14 115.64 113.61 1rck s THR 9 Ca 0.18 -0.98 -0.24 0.00 0.31 0.00 0.00 61.69 60.97 1rck s THR 9 Cb 0.42 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.86 1rck s THR 9 CO -0.09 -0.75 0.72 0.21 -0.69 0.00 0.00 174.62 174.01 1rck s ASN 10 N 1.84 7.27 -0.01 3.53 3.84 -1.26 -2.60 114.94 127.54 1rck s ASN 10 Ca 0.12 1.50 0.01 0.00 0.21 0.00 0.00 52.86 54.70 1rck s ASN 10 Cb -0.17 -2.45 0.01 0.00 -0.55 0.00 0.00 41.25 38.08 1rck s ASN 10 CO -0.25 0.20 -0.02 -0.31 -2.79 0.00 0.00 177.10 173.93 1rck s TYR 11 N -0.95 0.26 0.51 0.43 2.02 0.08 -4.99 117.35 114.72 1rck s TYR 11 Ca 0.34 -0.03 -0.20 0.00 -0.37 0.00 0.00 57.07 56.81 1rck s TYR 11 Cb -0.22 -0.23 -0.07 0.00 -0.40 0.00 0.00 41.96 41.05 1rck s TYR 11 CO 0.24 -0.04 1.12 -1.12 -1.57 0.00 0.00 175.55 174.18 1rck s SER 12 N 0.24 5.92 0.65 2.29 0.01 -1.26 -2.39 113.70 119.16 1rck s SER 12 Ca -0.02 2.17 0.30 0.00 1.31 0.00 0.00 55.95 59.70 1rck s SER 12 Cb -0.05 -2.58 1.60 0.00 0.21 0.00 0.00 66.02 65.20 1rck s SER 12 CO -0.01 -1.08 1.92 0.00 0.41 0.00 0.00 173.24 174.49 1rck h ALA 13 N 1.45 1.54 -0.07 1.44 0.00 -1.91 0.16 119.26 121.87 1rck h ALA 13 Ca -0.50 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 1rck h ALA 13 Cb 1.25 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1rck h ALA 13 CO 0.58 -0.41 -0.12 0.77 0.00 0.00 0.00 179.25 180.07 1rck h SER 14 N 0.00 0.23 -0.40 0.00 0.02 -1.92 -2.79 113.55 108.69 1rck h SER 14 Ca 0.05 -0.54 -0.10 0.00 -0.84 0.00 0.00 61.79 60.36 1rck h SER 14 Cb 0.77 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1rck h SER 14 CO -0.00 0.73 -0.12 1.56 -1.14 0.00 0.00 176.83 177.86 1rck h GLN 15 N -0.26 0.86 0.09 3.45 7.50 -1.05 -1.05 115.11 124.65 1rck h GLN 15 Ca 0.01 -0.30 -0.00 0.00 0.50 0.00 0.00 58.65 58.85 1rck h GLN 15 Cb 0.68 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.15 1rck h GLN 15 CO 0.03 0.93 -0.04 0.28 -1.50 0.00 0.00 178.83 178.53 1rck h VAL 16 N 0.77 1.03 -0.45 -0.54 2.07 -1.51 -1.28 116.25 116.34 1rck h VAL 16 Ca 0.12 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 1rck h VAL 16 Cb 0.63 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1rck h VAL 16 CO 0.04 0.10 0.05 -0.09 0.02 0.00 0.00 177.57 177.70 1rck h ARG 17 N -0.31 0.71 0.03 1.57 2.43 -1.47 -1.38 114.38 115.96 1rck h ARG 17 Ca -0.01 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1rck h ARG 17 Cb 0.26 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1rck h ARG 17 CO 0.02 0.69 -0.01 0.00 -1.51 0.00 0.00 179.97 179.16 1rck h ALA 18 N 1.38 -0.04 -0.86 2.80 0.00 -1.09 -0.86 119.26 120.59 1rck h ALA 18 Ca 0.14 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1rck h ALA 18 Cb 0.35 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1rck h ALA 18 CO 0.01 -0.29 0.54 0.00 0.00 0.00 0.00 179.25 179.51 1rck h ALA 19 N 0.45 1.16 -0.07 0.00 0.00 -1.14 -1.74 119.26 117.92 1rck h ALA 19 Ca -0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1rck h ALA 19 Cb 0.47 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1rck h ALA 19 CO 0.01 0.31 -0.28 0.00 0.00 0.00 0.00 179.25 179.29 1rck h ALA 20 N 1.39 0.13 0.00 0.00 0.00 -1.26 -1.67 119.26 117.86 1rck h ALA 20 Ca 0.36 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1rck h ALA 20 Cb 0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1rck h ALA 20 CO -0.16 0.15 -0.01 -0.97 0.00 0.00 0.00 179.25 178.26 1rck h ASN 21 N -0.18 0.00 0.00 0.00 -1.24 -0.99 0.02 115.58 113.19 1rck h ASN 21 Ca -0.01 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.99 1rck h ASN 21 Cb 0.91 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.96 1rck h ASN 21 CO 0.06 0.01 -0.09 0.00 -1.29 0.00 0.00 177.43 176.12 1rck h ALA 22 N 1.99 0.00 -0.71 1.57 0.00 -1.15 -2.87 119.26 118.09 1rck h ALA 22 Ca -0.00 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 54.97 1rck h ALA 22 Cb 0.07 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1rck h ALA 22 CO 0.00 0.08 0.49 0.00 0.00 0.00 0.00 179.25 179.82 1rck h ALA 23 N -0.97 2.32 0.31 0.00 0.00 -1.17 -0.66 119.26 119.08 1rck h ALA 23 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1rck h ALA 23 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1rck h ALA 23 CO -0.00 -0.52 -0.15 0.00 0.00 0.00 0.00 179.25 178.58 1rck h GLN 25 N -0.63 0.97 0.00 0.00 4.15 -1.03 -0.62 115.11 117.95 1rck h GLN 25 Ca -0.04 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1rck h GLN 25 Cb 0.45 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.92 1rck h GLN 25 CO 0.07 0.64 0.00 0.66 -1.93 0.00 0.00 178.83 178.27 1rck n TYR 26 N -4.52 0.00 -1.52 3.99 4.01 -0.36 -3.59 117.16 115.16 1rck n TYR 26 Ca 0.15 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.92 1rck n TYR 26 Cb 0.26 -0.17 0.03 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 -1.17 0.00 0.00 -0.72 9.36 -0.28 -3.83 117.16 120.52 1rck n TYR 27 Ca 0.13 -0.25 0.00 0.00 3.32 0.00 0.00 57.90 61.10 1rck n TYR 27 Cb 0.13 -0.06 0.00 0.00 -0.63 0.00 0.00 39.34 38.78 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 -0.35 0.00 -0.36 2.98 6.02 -0.93 -4.88 117.38 119.86 1rck n GLN 28 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1rck n GLN 28 Cb 0.63 -0.02 0.00 0.00 1.02 0.00 0.00 30.24 31.87 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 -1.38 0.00 -3.30 1.08 0.23 -1.26 -4.90 115.26 105.73 1rck n ASN 29 Ca 0.00 -1.07 -0.26 0.00 -0.53 0.00 0.00 54.58 52.71 1rck n ASN 29 Cb 0.00 -0.01 -0.07 0.00 -2.08 0.00 0.00 39.78 37.62 1rck n ASN 29 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1rck n ASP 30 N 0.00 3.53 -0.90 0.53 2.03 -1.26 -4.91 116.55 115.57 1rck n ASP 30 Ca 0.00 -3.42 0.00 0.00 0.52 0.00 0.00 54.79 51.89 1rck n ASP 30 Cb 0.51 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 1rck n ASP 30 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1rck n ASP 31 N 0.65 -3.08 -0.09 1.67 8.00 -1.26 -4.49 116.55 117.95 1rck n ASP 31 Ca 0.29 0.23 -0.11 0.00 0.71 0.00 0.00 54.79 55.92 1rck n ASP 31 Cb 0.42 -1.62 -0.04 0.00 -0.02 0.00 0.00 41.12 39.86 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 0.28 1.48 -3.10 -3.53 -2.24 -1.25 -3.74 114.28 102.18 1rck n THR 32 Ca 0.00 0.09 -0.17 0.00 -2.27 0.00 0.00 64.05 61.70 1rck n THR 32 Cb 0.00 -2.29 0.02 0.00 -2.10 0.00 0.00 70.33 65.96 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 -4.09 -2.71 -1.56 6.98 0.00 -1.26 -4.38 120.51 113.49 1rck n ALA 33 Ca -0.18 0.67 -0.12 0.00 0.00 0.00 0.00 53.44 53.81 1rck n ALA 33 Cb 0.49 -2.53 0.15 0.00 0.00 0.00 0.00 19.45 17.56 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 0.05 5.32 2.44 0.00 0.00 -1.26 -4.47 105.19 107.27 1rck n GLY 34 Ca 0.02 -1.63 -0.15 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.02 -0.95 -0.78 1.61 7.64 -1.26 -4.84 113.62 114.01 1rck n SER 35 Ca 0.39 -3.15 0.00 0.00 1.01 0.00 0.00 58.87 57.12 1rck n SER 35 Cb 0.99 0.53 0.00 0.00 -1.01 0.00 0.00 64.21 64.72 1rck n SER 35 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1rck n SER 36 N 0.93 0.00 -3.19 6.43 3.41 -1.26 -5.04 113.62 114.90 1rck n SER 36 Ca 0.16 -0.78 -0.36 0.00 -0.26 0.00 0.00 58.87 57.63 1rck n SER 36 Cb 0.63 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.54 1rck n SER 36 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1rck n THR 37 N 0.00 4.53 -0.47 6.66 -2.24 -1.26 -4.88 114.28 116.62 1rck n THR 37 Ca 0.00 -3.34 0.00 0.00 -2.27 0.00 0.00 64.05 58.44 1rck n THR 37 Cb 0.00 -2.20 0.00 0.00 -2.10 0.00 0.00 70.33 66.03 1rck n THR 37 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1rck n TYR 38 N 2.32 -1.28 -2.29 4.78 4.01 -1.26 -4.08 117.16 119.37 1rck n TYR 38 Ca 0.65 0.69 -0.41 0.00 -0.16 0.00 0.00 57.90 58.67 1rck n TYR 38 Cb 0.33 -1.50 -0.03 0.00 -0.31 0.00 0.00 39.34 37.83 1rck n TYR 38 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1rck s PRO 39 N -4.64 4.47 0.23 -0.72 0.04 -1.26 -4.19 135.00 128.93 1rck s PRO 39 Ca 0.00 2.00 0.01 0.00 0.04 0.00 0.00 61.00 63.05 1rck s PRO 39 Cb 0.00 -3.17 -0.05 0.00 0.04 0.00 0.00 34.50 31.32 1rck s PRO 39 CO 0.00 -0.08 0.08 -1.01 0.04 0.00 0.00 177.00 176.02 1rck s HIS 40 N -0.61 1.43 0.28 0.56 3.76 -1.26 -4.24 115.29 115.21 1rck s HIS 40 Ca 0.51 -1.16 -0.29 0.00 -0.15 0.00 0.00 55.06 53.97 1rck s HIS 40 Cb -0.35 -0.82 -0.10 0.00 1.11 0.00 0.00 32.58 32.42 1rck s HIS 40 CO 0.43 -0.33 1.11 0.99 -0.85 0.00 0.00 174.74 176.08 1rck s THR 41 N -3.76 3.46 -1.15 1.30 2.01 -1.26 -2.48 115.64 113.75 1rck s THR 41 Ca 0.34 1.47 -0.14 0.00 0.31 0.00 0.00 61.69 63.67 1rck s THR 41 Cb 0.07 -3.93 0.17 0.00 0.01 0.00 0.00 72.50 68.82 1rck s THR 41 CO 0.11 0.35 1.36 -0.47 -0.69 0.00 0.00 174.62 175.28 1rck s TYR 42 N -1.17 3.50 0.45 4.92 6.14 -0.54 -4.91 117.35 125.74 1rck s TYR 42 Ca 0.45 -2.06 -0.23 0.00 0.64 0.00 0.00 57.07 55.86 1rck s TYR 42 Cb -0.32 -4.27 -0.08 0.00 0.42 0.00 0.00 41.96 37.71 1rck s TYR 42 CO 0.41 -1.37 1.14 1.21 0.64 0.00 0.00 175.55 177.58 1rck s ASN 43 N 2.84 6.27 0.14 4.32 2.47 -1.26 -4.53 114.94 125.18 1rck s ASN 43 Ca 0.40 2.24 0.00 0.00 0.42 0.00 0.00 52.86 55.92 1rck s ASN 43 Cb -0.04 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.17 1rck s ASN 43 CO -0.02 -0.84 0.00 -0.46 -3.72 0.00 0.00 177.10 172.06 1rck n ASN 44 N -0.44 -5.13 -3.10 -4.21 0.23 -1.26 -4.87 115.26 96.47 1rck n ASN 44 Ca 0.07 0.58 -0.39 0.00 -0.53 0.00 0.00 54.58 54.31 1rck n ASN 44 Cb 0.48 -2.04 0.02 0.00 -2.08 0.00 0.00 39.78 36.17 1rck n ASN 44 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1rck n TYR 45 N 0.27 2.77 -2.82 -2.53 9.36 -1.26 -4.43 117.16 118.52 1rck n TYR 45 Ca 0.00 -2.37 -0.11 0.00 3.32 0.00 0.00 57.90 58.74 1rck n TYR 45 Cb 0.00 -1.24 0.06 0.00 -0.63 0.00 0.00 39.34 37.53 1rck n TYR 45 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1rck n GLU 46 N -0.17 1.06 0.03 2.98 2.13 -1.26 -4.95 120.64 120.46 1rck n GLU 46 Ca 0.52 -2.36 0.00 0.00 0.66 0.00 0.00 57.16 55.98 1rck n GLU 46 Cb 0.27 -0.99 0.00 0.00 0.27 0.00 0.00 31.44 31.00 1rck n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1rck n GLY 47 N 0.09 -0.03 3.76 8.31 0.00 -1.26 -5.14 105.19 110.92 1rck n GLY 47 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 1rck n GLY 47 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1rck s PHE 48 N -2.00 0.19 -0.00 1.61 2.19 -1.26 -5.08 117.98 113.63 1rck s PHE 48 Ca 0.00 -0.72 -0.18 0.00 0.33 0.00 0.00 56.93 56.35 1rck s PHE 48 Cb 0.00 0.62 -0.06 0.00 -1.31 0.00 0.00 43.02 42.28 1rck s PHE 48 CO 0.00 -1.37 0.52 -0.51 1.83 0.00 0.00 175.22 175.69 1rck s ASP 49 N -3.05 6.91 -0.27 6.13 1.01 -1.26 -5.05 116.67 121.08 1rck s ASP 49 Ca 0.17 1.08 -0.00 0.00 0.71 0.00 0.00 52.55 54.51 1rck s ASP 49 Cb -0.04 -2.32 0.15 0.00 1.01 0.00 0.00 42.92 41.71 1rck s ASP 49 CO 0.11 0.18 0.38 -0.36 0.21 0.00 0.00 175.17 175.69 1rck s PHE 50 N -0.50 -0.84 -1.15 4.23 0.08 -1.26 -4.78 117.98 113.76 1rck s PHE 50 Ca 0.28 0.40 -0.08 0.00 0.12 0.00 0.00 56.93 57.65 1rck s PHE 50 Cb -0.18 -0.16 -0.11 0.00 -0.57 0.00 0.00 43.02 42.01 1rck s PHE 50 CO 0.16 -0.88 2.84 -0.35 -0.10 0.00 0.00 175.22 176.88 1rck n PRO 51 N 5.35 2.97 0.00 0.24 -0.04 -1.26 -4.62 135.00 137.64 1rck n PRO 51 Ca -0.01 -1.78 0.00 0.00 -0.04 0.00 0.00 63.50 61.67 1rck n PRO 51 Cb 0.49 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 1rck n PRO 51 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1rck n VAL 52 N 3.51 0.00 -3.80 0.52 0.24 -1.26 -5.18 118.33 112.36 1rck n VAL 52 Ca 0.63 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.81 1rck n VAL 52 Cb 0.32 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.58 1rck n VAL 52 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1rck s ASP 53 N 1.27 -0.18 0.82 -1.34 2.15 -1.26 -5.18 116.67 112.95 1rck s ASP 53 Ca 0.00 0.29 -0.06 0.00 0.43 0.00 0.00 52.55 53.21 1rck s ASP 53 Cb 0.00 0.40 0.12 0.00 -0.30 0.00 0.00 42.92 43.14 1rck s ASP 53 CO 0.00 -0.18 0.75 0.61 -0.17 0.00 0.00 175.17 176.17 1rck n GLY 54 N 2.44 -0.42 3.79 2.66 0.00 -1.26 -4.82 105.19 107.58 1rck n GLY 54 Ca -0.16 -1.84 -0.31 0.00 0.00 0.00 0.00 46.02 43.72 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 -4.51 2.41 0.44 1.61 0.04 -1.26 -4.96 135.00 128.77 1rck s PRO 55 Ca 0.45 1.01 0.07 0.00 0.04 0.00 0.00 61.00 62.57 1rck s PRO 55 Cb -0.02 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 1rck s PRO 55 CO 0.31 -1.49 0.24 0.71 0.04 0.00 0.00 177.00 176.81 1rck s TYR 56 N -2.98 2.43 -0.02 0.56 1.51 -1.26 -1.87 117.35 115.72 1rck s TYR 56 Ca 0.60 -0.63 0.03 0.00 -1.01 0.00 0.00 57.07 56.05 1rck s TYR 56 Cb -0.16 -1.97 -0.00 0.00 -0.11 0.00 0.00 41.96 39.72 1rck s TYR 56 CO 0.56 0.03 -0.09 1.14 -1.11 0.00 0.00 175.55 176.08 1rck s GLN 57 N -4.00 0.87 0.27 -0.62 -2.07 -0.24 -1.47 119.66 112.40 1rck s GLN 57 Ca 0.39 -0.31 -0.03 0.00 -1.82 0.00 0.00 55.36 53.59 1rck s GLN 57 Cb 0.02 -0.83 -0.05 0.00 -1.09 0.00 0.00 33.01 31.06 1rck s GLN 57 CO 0.22 0.14 0.51 -1.21 -1.32 0.00 0.00 175.29 173.63 1rck s GLU 58 N 0.05 3.58 -0.29 9.60 8.01 -1.03 -1.66 118.70 136.96 1rck s GLU 58 Ca -0.01 -0.13 0.04 0.00 0.01 0.00 0.00 54.97 54.89 1rck s GLU 58 Cb -0.07 -2.70 0.20 0.00 -4.31 0.00 0.00 34.13 27.25 1rck s GLU 58 CO 0.00 0.25 0.60 0.12 0.01 0.00 0.00 175.26 176.24 1rck s PHE 59 N -2.06 -1.78 -0.21 1.61 5.36 -0.60 -4.09 117.98 116.21 1rck s PHE 59 Ca 0.42 1.24 -0.29 0.00 -0.96 0.00 0.00 56.93 57.34 1rck s PHE 59 Cb -0.11 0.38 0.00 0.00 -0.34 0.00 0.00 43.02 42.95 1rck s PHE 59 CO 0.30 -1.03 1.13 -1.25 -1.46 0.00 0.00 175.22 172.92 1rck s PRO 60 N 2.84 4.25 0.83 10.12 0.04 -1.26 -1.68 135.00 150.14 1rck s PRO 60 Ca 0.13 1.47 -0.12 0.00 0.04 0.00 0.00 61.00 62.52 1rck s PRO 60 Cb -0.11 -3.69 0.10 0.00 0.04 0.00 0.00 34.50 30.83 1rck s PRO 60 CO -0.25 -0.67 1.19 -1.50 0.04 0.00 0.00 177.00 175.81 1rck s ILE 61 N 3.33 2.00 0.02 0.56 2.07 -0.44 -4.66 121.20 124.07 1rck s ILE 61 Ca 0.48 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.72 1rck s ILE 61 Cb -0.18 -2.97 -0.02 0.00 0.13 0.00 0.00 42.46 39.43 1rck s ILE 61 CO 0.10 0.00 -0.01 -0.75 -1.91 0.00 0.00 174.94 172.37 1rck s LYS 62 N -5.57 0.30 -1.34 3.50 2.47 -1.26 -4.75 119.74 113.09 1rck s LYS 62 Ca 0.63 -0.53 -0.06 0.00 -1.56 0.00 0.00 55.97 54.45 1rck s LYS 62 Cb -0.11 0.11 0.11 0.00 -1.46 0.00 0.00 37.83 36.48 1rck s LYS 62 CO 0.50 -0.05 2.41 0.43 0.16 0.00 0.00 175.35 178.80 1rck n SER 63 N 1.72 8.03 0.09 1.43 7.64 -1.26 -3.93 113.62 127.34 1rck n SER 63 Ca -0.23 -3.10 0.00 0.00 1.01 0.00 0.00 58.87 56.55 1rck n SER 63 Cb 0.55 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 1rck n SER 63 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rck n GLY 64 N 1.88 -1.18 0.00 0.23 0.00 -1.26 -5.18 105.19 99.68 1rck n GLY 64 Ca 0.63 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.94 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 -1.32 0.61 3.77 -0.02 0.00 -1.25 -5.17 105.19 101.80 1rck n GLY 65 Ca 0.00 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.09 3.28 0.13 1.61 0.11 -1.26 -4.37 120.40 117.82 1rck s VAL 66 Ca 0.00 0.46 -0.05 0.00 -2.93 0.00 0.00 61.98 59.46 1rck s VAL 66 Cb 0.00 -2.94 0.02 0.00 -1.53 0.00 0.00 36.38 31.93 1rck s VAL 66 CO 0.00 -0.51 0.26 0.00 -3.33 0.00 0.00 175.10 171.53 1rck n TYR 67 N -3.28 -1.42 -2.20 1.54 4.19 -1.26 -5.06 117.16 109.67 1rck n TYR 67 Ca 0.09 -0.65 -0.05 0.00 3.31 0.00 0.00 57.90 60.60 1rck n TYR 67 Cb 0.53 0.31 -0.01 0.00 0.49 0.00 0.00 39.34 40.66 1rck n TYR 67 CO 0.00 0.00 0.00 -2.37 0.91 0.00 0.00 176.86 175.40 1rck n THR 68 N -0.18 0.00 0.00 2.97 5.66 -1.26 -4.89 114.28 116.58 1rck n THR 68 Ca -0.03 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.67 1rck n THR 68 Cb 0.20 0.65 0.00 0.00 -1.55 0.00 0.00 70.33 69.63 1rck n THR 68 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rck n GLY 69 N -0.48 0.00 7.00 1.09 0.00 -1.26 -4.71 105.19 106.83 1rck n GLY 69 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.18 1.93 2.37 -0.02 0.00 -1.26 -4.66 105.19 103.73 1rck n GLY 70 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.04 -2.33 -4.60 1.61 2.88 -1.26 -4.94 113.62 104.94 1rck n SER 71 Ca 0.00 1.25 -0.31 0.00 -1.33 0.00 0.00 58.87 58.49 1rck n SER 71 Cb 0.00 -4.64 0.18 0.00 -0.75 0.00 0.00 64.21 59.00 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 1.49 -0.81 -2.15 -1.46 -0.02 -1.26 -5.13 135.00 125.66 1rck n PRO 72 Ca -0.29 -0.18 -0.22 0.00 -2.02 0.00 0.00 63.50 60.79 1rck n PRO 72 Cb 0.44 -2.26 0.02 0.00 -0.02 0.00 0.00 33.50 31.68 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 0.59 5.94 0.00 -1.23 0.00 -1.26 -4.85 105.19 104.38 1rck n GLY 73 Ca 0.10 -2.54 0.00 0.00 0.00 0.00 0.00 46.02 43.57 1rck n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rck n ALA 74 N -0.67 0.00 -1.67 4.61 0.00 -1.26 -4.77 120.51 116.76 1rck n ALA 74 Ca 0.40 -0.07 -0.43 0.00 0.00 0.00 0.00 53.44 53.34 1rck n ALA 74 Cb 0.92 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.34 1rck n ALA 74 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1rck s ASP 75 N -2.63 5.78 0.15 0.00 1.47 -1.26 -2.55 116.67 117.62 1rck s ASP 75 Ca 0.00 2.05 0.04 0.00 1.18 0.00 0.00 52.55 55.82 1rck s ASP 75 Cb 0.00 -2.52 -0.05 0.00 -0.34 0.00 0.00 42.92 40.02 1rck s ASP 75 CO 0.00 -1.68 -0.08 -0.13 0.68 0.00 0.00 175.17 173.96 1rck s ARG 76 N 5.75 1.07 0.01 2.11 0.52 -0.01 -1.32 118.95 127.08 1rck s ARG 76 Ca 0.95 -1.47 0.03 0.00 -0.52 0.00 0.00 55.73 54.72 1rck s ARG 76 Cb -0.35 -0.55 -0.01 0.00 0.52 0.00 0.00 34.95 34.56 1rck s ARG 76 CO 0.36 0.03 -0.10 0.14 0.02 0.00 0.00 175.30 175.76 1rck s VAL 77 N -3.39 0.76 -0.05 3.52 -7.23 -0.68 -2.20 120.40 111.13 1rck s VAL 77 Ca 0.18 -0.57 -0.02 0.00 -1.81 0.00 0.00 61.98 59.77 1rck s VAL 77 Cb 0.03 -0.67 0.03 0.00 0.56 0.00 0.00 36.38 36.34 1rck s VAL 77 CO 0.01 0.10 0.04 -0.69 -0.31 0.00 0.00 175.10 174.25 1rck s VAL 78 N -0.45 0.08 0.47 1.32 1.01 -0.13 -1.55 120.40 121.15 1rck s VAL 78 Ca 0.02 0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.39 1rck s VAL 78 Cb -0.05 -0.30 0.03 0.00 0.00 0.00 0.00 36.38 36.06 1rck s VAL 78 CO 0.00 0.21 0.57 -0.63 0.00 0.00 0.00 175.10 175.25 1rck s ILE 79 N 2.08 2.56 0.48 2.22 1.01 -0.66 -2.05 121.20 126.84 1rck s ILE 79 Ca 0.05 -1.13 -0.04 0.00 0.00 0.00 0.00 60.65 59.53 1rck s ILE 79 Cb -0.12 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 1rck s ILE 79 CO -0.04 0.00 0.76 0.21 0.00 0.00 0.00 174.94 175.87 1rck s ASN 80 N -4.38 6.13 0.63 3.58 2.47 0.39 -1.08 114.94 122.70 1rck s ASN 80 Ca 0.53 0.78 0.34 0.00 0.42 0.00 0.00 52.86 54.93 1rck s ASN 80 Cb -0.06 -2.08 1.90 0.00 -1.45 0.00 0.00 41.25 39.56 1rck s ASN 80 CO 0.32 -0.62 2.15 0.00 -3.72 0.00 0.00 177.10 175.23 1rck h THR 81 N 0.25 0.22 0.00 -5.21 1.03 -1.65 -3.18 112.91 104.36 1rck h THR 81 Ca -0.47 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.93 1rck h THR 81 Cb 1.22 0.85 0.00 0.00 -1.07 0.00 0.00 68.15 69.15 1rck h THR 81 CO 0.61 0.00 0.00 -3.20 -0.01 0.00 0.00 175.52 172.92 1rck n ASN 82 N -3.36 0.00 0.00 0.00 5.15 -1.26 -4.66 115.26 111.12 1rck n ASN 82 Ca -0.01 0.16 0.00 0.00 -0.60 0.00 0.00 54.58 54.13 1rck n ASN 82 Cb 0.25 -0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.27 1rck n ASN 82 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rck s GLU 84 N 0.00 3.63 -0.31 0.00 2.12 -1.26 -4.71 118.70 118.17 1rck s GLU 84 Ca 0.00 0.56 -0.30 0.00 0.36 0.00 0.00 54.97 55.59 1rck s GLU 84 Cb 0.00 -3.96 -0.08 0.00 0.26 0.00 0.00 34.13 30.35 1rck s GLU 84 CO 0.00 -1.50 2.25 0.98 -0.54 0.00 0.00 175.26 176.45 1rck n TYR 85 N 8.23 1.74 -0.05 5.30 9.36 -1.26 -0.46 117.16 140.02 1rck n TYR 85 Ca 0.12 0.05 -0.00 0.00 3.32 0.00 0.00 57.90 61.39 1rck n TYR 85 Cb 0.49 -2.64 -0.00 0.00 -0.63 0.00 0.00 39.34 36.55 1rck n TYR 85 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1rck h ALA 86 N 14.69 0.00 -2.00 2.98 0.00 -1.69 -3.47 119.26 129.76 1rck h ALA 86 Ca -0.33 -0.00 0.29 0.00 0.00 0.00 0.00 54.91 54.86 1rck h ALA 86 Cb 1.27 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 1rck h ALA 86 CO 1.01 0.00 0.78 0.20 0.00 0.00 0.00 179.25 181.25 1rck s GLY 87 N -3.55 -0.18 0.04 0.00 0.00 -0.89 -4.84 107.32 97.90 1rck s GLY 87 Ca -0.00 0.18 0.04 0.00 0.00 0.00 0.00 44.72 44.94 1rck s GLY 87 CO 0.00 2.74 -0.12 0.00 0.00 0.00 0.00 173.10 175.72 1rck s ALA 88 N -2.28 1.00 0.23 3.20 0.00 -1.26 -0.95 121.76 121.70 1rck s ALA 88 Ca 0.22 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.37 1rck s ALA 88 Cb 0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 1rck s ALA 88 CO -0.00 0.17 0.26 0.96 0.00 0.00 0.00 175.76 177.14 1rck s ILE 89 N -0.89 0.00 -0.20 0.00 -4.36 -0.93 -2.35 121.20 112.47 1rck s ILE 89 Ca -0.00 -1.82 -0.27 0.00 -0.26 0.00 0.00 60.65 58.30 1rck s ILE 89 Cb -0.08 -2.43 0.07 0.00 1.25 0.00 0.00 42.46 41.27 1rck s ILE 89 CO 0.01 0.00 0.70 0.28 0.24 0.00 0.00 174.94 176.17 1rck s THR 90 N -3.98 0.00 0.10 8.37 -1.32 -0.53 -0.83 115.64 117.44 1rck s THR 90 Ca 0.34 -0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.90 1rck s THR 90 Cb 0.04 -0.99 -0.16 0.00 -1.51 0.00 0.00 72.50 69.88 1rck s THR 90 CO 0.13 -0.00 1.32 0.45 -2.21 0.00 0.00 174.62 174.31 1rck h HIS 91 N 4.37 0.00 -0.65 9.09 3.86 -1.71 -2.54 115.15 127.57 1rck h HIS 91 Ca -0.28 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.03 1rck h HIS 91 Cb 1.15 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.55 1rck h HIS 91 CO 0.39 0.91 0.25 0.00 0.86 0.00 0.00 177.93 180.34 1rck h THR 92 N 0.00 0.74 0.00 2.45 1.03 -1.89 -1.25 112.91 113.98 1rck h THR 92 Ca -0.01 -0.14 -0.04 0.00 -0.01 0.00 0.00 66.41 66.21 1rck h THR 92 Cb 1.68 0.28 -0.01 0.00 -1.07 0.00 0.00 68.15 69.03 1rck h THR 92 CO 0.12 0.08 -0.18 1.23 -0.01 0.00 0.00 175.52 176.76 1rck h GLY 93 N 0.42 0.00 -0.96 2.99 0.00 -1.81 -3.47 103.07 100.25 1rck h GLY 93 Ca 0.34 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 47.19 1rck h GLY 93 CO -0.33 0.00 0.31 0.00 0.00 0.00 0.00 176.54 176.52 1rck s ALA 94 N -3.20 1.99 0.27 3.60 0.00 -0.47 -4.92 121.76 119.03 1rck s ALA 94 Ca 0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 51.96 51.72 1rck s ALA 94 Cb 0.06 -3.09 0.38 0.00 0.00 0.00 0.00 23.12 20.47 1rck s ALA 94 CO 0.68 -2.00 1.75 1.03 0.00 0.00 0.00 175.76 177.23 1rck h SER 95 N -1.29 0.64 0.00 0.00 0.87 -1.85 -3.48 113.55 108.45 1rck h SER 95 Ca -0.49 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 59.90 1rck h SER 95 Cb 1.29 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1rck h SER 95 CO 0.60 0.78 0.00 0.61 -0.53 0.00 0.00 176.83 178.28 1rck n GLY 96 N -0.55 -0.66 0.19 5.77 0.00 -1.26 -5.00 105.19 103.67 1rck n GLY 96 Ca 0.01 0.59 0.08 0.00 0.00 0.00 0.00 46.02 46.70 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 0.00 -3.69 1.61 -1.24 -1.92 -3.47 115.58 106.87 1rck h ASN 97 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 56.30 56.58 1rck h ASN 97 Cb 0.00 0.00 0.18 0.00 0.73 0.00 0.00 38.32 39.23 1rck h ASN 97 CO 0.00 0.21 0.27 0.54 -1.29 0.00 0.00 177.43 177.16 1rck s ASN 98 N -6.30 1.76 0.26 1.15 2.20 -1.26 -5.01 114.94 107.75 1rck s ASN 98 Ca 0.05 0.38 0.12 0.00 -0.94 0.00 0.00 52.86 52.47 1rck s ASN 98 Cb 0.06 -0.47 -0.05 0.00 -2.00 0.00 0.00 41.25 38.80 1rck s ASN 98 CO 0.70 -3.58 -0.19 -0.36 -2.94 0.00 0.00 177.10 170.72 1rck s PHE 99 N -3.45 2.33 0.14 1.54 0.08 -1.26 -4.46 117.98 112.90 1rck s PHE 99 Ca 0.74 -0.32 0.02 0.00 0.12 0.00 0.00 56.93 57.48 1rck s PHE 99 Cb -0.06 -1.03 -0.04 0.00 -0.57 0.00 0.00 43.02 41.32 1rck s PHE 99 CO 0.55 0.68 -0.03 0.14 -0.10 0.00 0.00 175.22 176.45 1rck s VAL 100 N -2.36 0.72 0.40 -0.44 -7.23 -0.95 -4.90 120.40 105.63 1rck s VAL 100 Ca 0.29 -1.97 -0.23 0.00 -1.81 0.00 0.00 61.98 58.26 1rck s VAL 100 Cb -0.06 -1.94 -0.10 0.00 0.56 0.00 0.00 36.38 34.85 1rck s VAL 100 CO 0.15 -0.64 0.96 -0.83 -0.31 0.00 0.00 175.10 174.42 1rck s GLY 101 N -3.12 2.55 0.35 2.32 0.00 -1.26 -1.45 107.32 106.70 1rck s GLY 101 Ca 0.19 0.47 -0.04 0.00 0.00 0.00 0.00 44.72 45.34 1rck s GLY 101 CO 0.00 0.81 0.47 0.00 0.00 0.00 0.00 173.10 174.39 1rck n SER 103 N -3.17 2.94 -1.70 0.00 2.88 -0.96 -2.15 113.62 111.46 1rck n SER 103 Ca 0.07 0.28 -0.12 0.00 -1.33 0.00 0.00 58.87 57.76 1rck n SER 103 Cb 0.23 -1.47 0.02 0.00 -0.75 0.00 0.00 64.21 62.24 1rck n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rck n GLY 104 N 5.98 -0.01 3.72 0.46 0.00 -1.26 -4.87 105.19 109.21 1rck n GLY 104 Ca 0.33 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 4.91 -2.98 2.61 2.01 -0.91 -5.06 115.64 113.38 1rck s THR 105 Ca 0.14 1.74 0.24 0.00 0.31 0.00 0.00 61.69 64.12 1rck s THR 105 Cb -0.06 -4.17 0.19 0.00 0.01 0.00 0.00 72.50 68.46 1rck s THR 105 CO 0.17 0.23 1.26 0.59 -0.69 0.00 0.00 174.62 176.18