#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 -2.73 -2.52 -1.46 0.00 -1.26 -4.90 120.51 107.64 1rck n ALA 3 Ca 0.00 0.50 -0.41 0.00 0.00 0.00 0.00 53.44 53.53 1rck n ALA 3 Cb 0.00 -2.47 -0.03 0.00 0.00 0.00 0.00 19.45 16.95 1rck n ALA 3 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rck s THR 4 N -2.70 3.75 -0.24 0.00 2.01 -0.26 -4.84 115.64 113.36 1rck s THR 4 Ca 0.14 0.48 -0.01 0.00 0.31 0.00 0.00 61.69 62.61 1rck s THR 4 Cb -0.03 -4.83 0.02 0.00 0.01 0.00 0.00 72.50 67.68 1rck s THR 4 CO 0.78 -1.71 -0.08 -0.89 -0.69 0.00 0.00 174.62 172.03 1rck s THR 5 N 5.81 2.75 -0.54 -0.82 2.01 -1.26 -0.48 115.64 123.10 1rck s THR 5 Ca 0.38 -1.02 -0.02 0.00 0.31 0.00 0.00 61.69 61.34 1rck s THR 5 Cb -0.08 -2.37 0.14 0.00 0.01 0.00 0.00 72.50 70.20 1rck s THR 5 CO 0.17 0.25 0.34 0.00 -0.69 0.00 0.00 174.62 174.69 1rck n GLY 7 N 3.84 1.22 2.59 0.00 0.00 -1.26 -2.13 105.19 109.44 1rck n GLY 7 Ca 0.04 0.31 -0.09 0.00 0.00 0.00 0.00 46.02 46.29 1rck n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rck n SER 8 N 5.65 2.59 -3.44 1.61 7.64 -1.26 -4.94 113.62 121.47 1rck n SER 8 Ca 0.00 -2.63 -0.27 0.00 1.01 0.00 0.00 58.87 56.98 1rck n SER 8 Cb 0.00 -0.45 -0.11 0.00 -1.01 0.00 0.00 64.21 62.64 1rck n SER 8 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1rck s THR 9 N -4.03 0.08 0.17 0.44 2.01 -0.91 -5.14 115.64 108.26 1rck s THR 9 Ca 0.34 -1.68 -0.22 0.00 0.31 0.00 0.00 61.69 60.44 1rck s THR 9 Cb 0.36 -1.06 -0.08 0.00 0.01 0.00 0.00 72.50 71.74 1rck s THR 9 CO -0.02 -0.95 0.72 0.20 -0.69 0.00 0.00 174.62 173.88 1rck s ASN 10 N 1.04 7.21 -0.03 3.53 -0.87 -1.26 -2.07 114.94 122.49 1rck s ASN 10 Ca 0.19 1.49 -0.02 0.00 -1.57 0.00 0.00 52.86 52.95 1rck s ASN 10 Cb -0.20 -2.44 0.02 0.00 -0.02 0.00 0.00 41.25 38.60 1rck s ASN 10 CO -0.01 0.16 0.07 -0.31 -2.57 0.00 0.00 177.10 174.44 1rck s TYR 11 N -1.27 -0.07 0.79 2.20 2.02 0.36 -4.81 117.35 116.56 1rck s TYR 11 Ca 0.37 0.22 -0.12 0.00 -0.37 0.00 0.00 57.07 57.17 1rck s TYR 11 Cb -0.20 -0.04 0.07 0.00 -0.40 0.00 0.00 41.96 41.39 1rck s TYR 11 CO 0.23 -0.07 1.13 -1.12 -1.57 0.00 0.00 175.55 174.15 1rck s SER 12 N 0.39 4.10 0.59 2.29 0.01 -1.26 -1.10 113.70 118.73 1rck s SER 12 Ca -0.03 2.04 0.34 0.00 1.31 0.00 0.00 55.95 59.61 1rck s SER 12 Cb -0.04 -2.55 1.88 0.00 0.21 0.00 0.00 66.02 65.52 1rck s SER 12 CO -0.01 -2.31 2.22 0.00 0.41 0.00 0.00 173.24 173.55 1rck h ALA 13 N -1.01 1.26 0.02 1.44 0.00 -1.92 -0.15 119.26 118.90 1rck h ALA 13 Ca -0.45 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.22 1rck h ALA 13 Cb 1.25 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1rck h ALA 13 CO 0.49 0.04 -0.93 1.03 0.00 0.00 0.00 179.25 179.87 1rck h SER 14 N 0.00 0.30 -0.04 0.00 0.87 -1.99 -2.76 113.55 109.93 1rck h SER 14 Ca -0.00 -0.25 -0.24 0.00 -1.23 0.00 0.00 61.79 60.06 1rck h SER 14 Cb 0.13 -0.09 0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1rck h SER 14 CO 0.00 1.08 -0.91 -0.61 -0.53 0.00 0.00 176.83 175.86 1rck h GLN 15 N 0.11 0.72 -0.36 2.24 5.75 -1.39 -1.94 115.11 120.25 1rck h GLN 15 Ca -0.06 -0.68 -0.05 0.00 -0.15 0.00 0.00 58.65 57.72 1rck h GLN 15 Cb 1.58 0.17 -0.01 0.00 1.07 0.00 0.00 27.48 30.29 1rck h GLN 15 CO 0.15 1.27 0.04 -0.24 -2.65 0.00 0.00 178.83 177.40 1rck h VAL 16 N 0.45 1.24 -0.57 2.39 3.04 -1.40 0.45 116.25 121.86 1rck h VAL 16 Ca -0.09 -0.88 -0.08 0.00 -1.01 0.00 0.00 66.70 64.64 1rck h VAL 16 Cb 1.55 1.12 -0.02 0.00 -2.01 0.00 0.00 31.29 31.93 1rck h VAL 16 CO 0.18 0.29 0.03 0.08 -1.01 0.00 0.00 177.57 177.14 1rck h ARG 17 N 0.43 0.95 -0.21 4.17 0.11 -1.53 -0.64 114.38 117.68 1rck h ARG 17 Ca 0.11 -0.27 -0.04 0.00 0.10 0.00 0.00 59.98 59.87 1rck h ARG 17 Cb 0.39 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.35 1rck h ARG 17 CO 0.01 0.93 -0.03 0.00 0.10 0.00 0.00 179.97 180.97 1rck h ALA 18 N 1.14 0.28 -0.82 0.08 0.00 -1.25 0.16 119.26 118.85 1rck h ALA 18 Ca 0.17 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1rck h ALA 18 Cb 0.48 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1rck h ALA 18 CO 0.02 0.04 0.51 0.00 0.00 0.00 0.00 179.25 179.82 1rck h ALA 19 N 0.75 1.11 0.00 0.00 0.00 -0.75 -1.63 119.26 118.74 1rck h ALA 19 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rck h ALA 19 Cb 0.47 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1rck h ALA 19 CO 0.02 0.27 -0.00 0.00 0.00 0.00 0.00 179.25 179.53 1rck h ALA 20 N 1.38 1.00 0.00 0.00 0.00 -0.95 -2.14 119.26 118.54 1rck h ALA 20 Ca 0.35 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 1rck h ALA 20 Cb 0.12 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1rck h ALA 20 CO -0.16 0.00 -0.45 -0.97 0.00 0.00 0.00 179.25 177.68 1rck h ASN 21 N 0.00 0.00 0.00 0.00 -1.24 0.25 0.07 115.58 114.67 1rck h ASN 21 Ca -0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 1rck h ASN 21 Cb 0.95 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.00 1rck h ASN 21 CO 0.00 0.45 -0.12 0.00 -1.29 0.00 0.00 177.43 176.47 1rck h ALA 22 N 1.55 0.02 -0.69 1.57 0.00 -1.28 -1.81 119.26 118.62 1rck h ALA 22 Ca -0.00 -0.56 0.15 0.00 0.00 0.00 0.00 54.91 54.49 1rck h ALA 22 Cb 1.07 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.80 1rck h ALA 22 CO 0.06 0.07 -0.07 0.00 0.00 0.00 0.00 179.25 179.30 1rck h ALA 23 N -0.03 0.59 0.00 0.00 0.00 -1.36 -0.70 119.26 117.76 1rck h ALA 23 Ca -0.03 0.24 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1rck h ALA 23 Cb 1.04 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1rck h ALA 23 CO -0.01 -0.42 -0.43 0.00 0.00 0.00 0.00 179.25 178.39 1rck h GLN 25 N 0.00 -0.27 -0.17 0.00 4.20 -0.23 -3.30 115.11 115.33 1rck h GLN 25 Ca -0.00 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1rck h GLN 25 Cb 0.77 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1rck h GLN 25 CO 0.06 -0.18 -0.02 0.10 -0.67 0.00 0.00 178.83 178.11 1rck h TYR 26 N -0.70 0.35 0.00 2.96 -0.00 -1.38 -0.33 116.97 117.88 1rck h TYR 26 Ca -0.03 -0.07 -0.00 0.00 -0.00 0.00 0.00 58.73 58.63 1rck h TYR 26 Cb 0.22 -0.09 -0.00 0.00 -0.00 0.00 0.00 36.73 36.86 1rck h TYR 26 CO 0.03 0.56 -0.00 -0.92 -0.00 0.00 0.00 178.16 177.82 1rck h TYR 27 N 0.05 0.00 0.00 0.10 3.20 -1.75 -3.30 116.97 115.27 1rck h TYR 27 Ca 0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1rck h TYR 27 Cb 0.43 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1rck h TYR 27 CO 0.04 0.00 0.00 1.04 -1.64 0.00 0.00 178.16 177.60 1rck n GLN 28 N -4.28 0.00 -0.38 1.82 1.13 -1.21 -4.97 117.38 109.49 1rck n GLN 28 Ca -0.03 0.37 -0.01 0.00 -1.94 0.00 0.00 57.00 55.39 1rck n GLN 28 Cb 0.09 -0.86 -0.01 0.00 0.11 0.00 0.00 30.24 29.57 1rck n GLN 28 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1rck n ASN 29 N -1.85 -0.14 -3.72 1.08 6.94 -1.16 -5.05 115.26 111.36 1rck n ASN 29 Ca 0.00 -0.58 -0.28 0.00 -0.02 0.00 0.00 54.58 53.70 1rck n ASN 29 Cb 0.00 0.04 -0.11 0.00 -2.36 0.00 0.00 39.78 37.36 1rck n ASN 29 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1rck n ASP 30 N 0.00 3.06 0.00 0.53 2.03 -0.14 -4.93 116.55 117.10 1rck n ASP 30 Ca -0.04 -3.24 0.00 0.00 0.52 0.00 0.00 54.79 52.03 1rck n ASP 30 Cb 0.29 -0.72 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 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 1.63 0.00 -4.45 1.67 8.00 -1.26 -3.06 116.55 119.08 1rck n ASP 31 Ca 0.24 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.29 1rck n ASP 31 Cb 0.38 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.47 1rck n ASP 31 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1rck s THR 32 N -0.38 5.11 0.93 -3.53 -1.32 -1.26 -4.62 115.64 110.58 1rck s THR 32 Ca 0.00 -2.59 -0.11 0.00 -1.21 0.00 0.00 61.69 57.78 1rck s THR 32 Cb 0.00 -4.85 0.15 0.00 -1.51 0.00 0.00 72.50 66.29 1rck s THR 32 CO 0.00 -1.55 1.11 0.00 -2.21 0.00 0.00 174.62 171.97 1rck s ALA 33 N 1.38 1.25 0.16 11.08 0.00 -1.26 -4.98 121.76 129.38 1rck s ALA 33 Ca 0.40 0.31 -0.12 0.00 0.00 0.00 0.00 51.96 52.55 1rck s ALA 33 Cb -0.04 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.77 1rck s ALA 33 CO -0.02 -2.74 1.65 0.78 0.00 0.00 0.00 175.76 175.42 1rck h GLY 34 N -1.85 0.93 -5.19 0.00 0.00 -1.92 -3.49 103.07 91.55 1rck h GLY 34 Ca -0.47 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.24 1rck h GLY 34 CO 0.47 0.57 -0.27 1.44 0.00 0.00 0.00 176.54 178.74 1rck n SER 35 N -4.39 -7.58 0.00 0.19 7.64 -1.26 -4.82 113.62 103.40 1rck n SER 35 Ca 0.02 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1rck n SER 35 Cb 0.25 -5.14 0.00 0.00 -1.01 0.00 0.00 64.21 58.32 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 -0.90 0.00 -2.64 6.43 3.41 -1.26 -4.95 113.62 113.71 1rck n SER 36 Ca 0.07 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.38 1rck n SER 36 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 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 2.77 -1.50 6.66 -2.24 -1.26 -5.06 114.28 113.65 1rck n THR 37 Ca 0.00 -4.91 0.00 0.00 -2.27 0.00 0.00 64.05 56.87 1rck n THR 37 Cb 0.00 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 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 -0.46 -3.96 -1.65 4.78 4.02 -1.26 -4.94 117.16 113.69 1rck n TYR 38 Ca 0.41 2.07 -0.31 0.00 -0.01 0.00 0.00 57.90 60.07 1rck n TYR 38 Cb 0.54 -3.29 0.05 0.00 -0.02 0.00 0.00 39.34 36.63 1rck n TYR 38 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1rck s PRO 39 N -2.97 2.85 0.00 -0.72 0.04 -1.26 -4.52 135.00 128.42 1rck s PRO 39 Ca 0.00 0.79 -0.03 0.00 0.04 0.00 0.00 61.00 61.81 1rck s PRO 39 Cb 0.00 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 1rck s PRO 39 CO 0.00 -1.12 0.04 -1.01 0.04 0.00 0.00 177.00 174.95 1rck s HIS 40 N -3.13 0.11 0.09 0.56 3.76 -1.26 -4.19 115.29 111.23 1rck s HIS 40 Ca 0.58 -0.23 -0.30 0.00 -0.15 0.00 0.00 55.06 54.96 1rck s HIS 40 Cb -0.13 -0.09 -0.06 0.00 1.11 0.00 0.00 32.58 33.41 1rck s HIS 40 CO 0.54 -0.17 1.10 -0.08 -0.85 0.00 0.00 174.74 175.28 1rck s THR 41 N -1.03 4.20 -0.49 1.30 -1.32 -1.26 -0.68 115.64 116.36 1rck s THR 41 Ca -0.11 1.68 -0.18 0.00 -1.21 0.00 0.00 61.69 61.87 1rck s THR 41 Cb -0.07 -4.08 0.06 0.00 -1.51 0.00 0.00 72.50 66.90 1rck s THR 41 CO -0.00 0.19 0.56 -0.47 -2.21 0.00 0.00 174.62 172.69 1rck s TYR 42 N 0.58 3.10 0.36 9.09 5.04 -0.19 -4.57 117.35 130.75 1rck s TYR 42 Ca 0.54 -0.58 0.00 0.00 -2.44 0.00 0.00 57.07 54.58 1rck s TYR 42 Cb -0.27 -3.38 0.00 0.00 0.35 0.00 0.00 41.96 38.66 1rck s TYR 42 CO 0.31 -0.94 0.00 -1.71 -1.34 0.00 0.00 175.55 171.87 1rck n ASN 43 N 5.91 -3.21 -3.80 4.32 2.85 -1.26 -4.50 115.26 115.57 1rck n ASN 43 Ca -0.08 0.73 -0.42 0.00 -0.11 0.00 0.00 54.58 54.70 1rck n ASN 43 Cb 0.45 3.09 0.00 0.00 1.24 0.00 0.00 39.78 44.56 1rck n ASN 43 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1rck n ASN 44 N -3.25 4.11 0.00 1.20 3.02 -1.26 -3.87 115.26 115.20 1rck n ASN 44 Ca 0.00 -2.88 0.00 0.00 -0.03 0.00 0.00 54.58 51.67 1rck n ASN 44 Cb 0.00 -1.64 0.00 0.00 -0.61 0.00 0.00 39.78 37.53 1rck n ASN 44 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rck n TYR 45 N 5.91 -1.56 -3.63 3.10 4.19 -1.26 -5.17 117.16 118.75 1rck n TYR 45 Ca 0.50 0.00 -0.04 0.00 3.31 0.00 0.00 57.90 61.67 1rck n TYR 45 Cb 0.39 0.36 -0.05 0.00 0.49 0.00 0.00 39.34 40.53 1rck n TYR 45 CO 0.00 0.00 0.00 -2.00 0.91 0.00 0.00 176.86 175.77 1rck s GLU 46 N -0.71 0.18 0.56 2.98 2.12 -1.25 -5.17 118.70 117.42 1rck s GLU 46 Ca 0.00 0.08 -0.19 0.00 0.36 0.00 0.00 54.97 55.22 1rck s GLU 46 Cb 0.00 0.09 -0.05 0.00 0.26 0.00 0.00 34.13 34.43 1rck s GLU 46 CO 0.00 -0.05 1.13 0.20 -0.54 0.00 0.00 175.26 176.00 1rck s GLY 47 N -0.79 2.56 0.24 -1.50 0.00 -1.26 -4.88 107.32 101.69 1rck s GLY 47 Ca 0.06 0.78 -0.10 0.00 0.00 0.00 0.00 44.72 45.47 1rck s GLY 47 CO -0.07 1.14 0.41 -0.12 0.00 0.00 0.00 173.10 174.45 1rck s PHE 48 N -1.86 0.57 0.00 1.90 5.36 -1.26 -5.16 117.98 117.53 1rck s PHE 48 Ca 0.72 -0.90 0.00 0.00 -0.96 0.00 0.00 56.93 55.79 1rck s PHE 48 Cb -0.23 0.02 0.00 0.00 -0.34 0.00 0.00 43.02 42.47 1rck s PHE 48 CO 0.29 -0.93 0.00 -0.40 -1.46 0.00 0.00 175.22 172.72 1rck n ASP 49 N -0.43 -0.33 -3.52 6.13 5.75 -1.26 -4.68 116.55 118.22 1rck n ASP 49 Ca -0.01 -0.23 -0.24 0.00 -0.01 0.00 0.00 54.79 54.30 1rck n ASP 49 Cb 0.63 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.77 1rck n ASP 49 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 1rck n PHE 50 N -1.21 -2.12 -1.55 2.11 1.16 -1.26 -4.87 117.46 109.72 1rck n PHE 50 Ca 0.00 0.65 -0.41 0.00 -1.87 0.00 0.00 57.45 55.83 1rck n PHE 50 Cb 0.00 -3.82 -0.01 0.00 -1.61 0.00 0.00 39.48 34.03 1rck n PHE 50 CO 0.00 0.00 0.00 -0.35 -1.87 0.00 0.00 176.76 174.54 1rck n PRO 51 N -3.83 3.01 0.14 3.97 -0.04 -1.26 -4.68 135.00 132.30 1rck n PRO 51 Ca -0.11 -2.41 -0.06 0.00 -0.04 0.00 0.00 63.50 60.88 1rck n PRO 51 Cb 0.61 -3.11 -0.03 0.00 -0.04 0.00 0.00 33.50 30.94 1rck n PRO 51 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1rck h VAL 52 N 3.72 0.00 -1.19 0.52 2.07 -1.93 -3.50 116.25 115.94 1rck h VAL 52 Ca 0.65 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.97 1rck h VAL 52 Cb 0.52 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1rck h VAL 52 CO 1.85 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 178.77 1rck n ASP 53 N -3.55 0.00 0.00 0.57 2.03 -1.26 -5.21 116.55 109.13 1rck n ASP 53 Ca -0.05 -0.51 0.00 0.00 0.52 0.00 0.00 54.79 54.75 1rck n ASP 53 Cb 0.15 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 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 0.00 -1.51 3.71 0.27 0.00 -1.26 -4.37 105.19 102.02 1rck n GLY 54 Ca 0.00 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 1rck n GLY 54 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1rck s PRO 55 N -1.34 4.19 0.35 1.61 0.02 -1.26 -4.93 135.00 133.64 1rck s PRO 55 Ca 0.00 2.43 -0.16 0.00 0.02 0.00 0.00 61.00 63.29 1rck s PRO 55 Cb 0.00 -3.29 -0.09 0.00 0.02 0.00 0.00 34.50 31.14 1rck s PRO 55 CO 0.00 -0.69 0.78 1.52 -0.33 0.00 0.00 177.00 178.28 1rck s TYR 56 N 1.66 3.37 0.30 6.54 -0.85 -1.26 -3.99 117.35 123.12 1rck s TYR 56 Ca 0.73 1.27 0.07 0.00 -0.52 0.00 0.00 57.07 58.62 1rck s TYR 56 Cb -0.44 -2.58 -0.02 0.00 0.38 0.00 0.00 41.96 39.29 1rck s TYR 56 CO 0.32 0.03 0.33 1.14 -1.52 0.00 0.00 175.55 175.85 1rck s GLN 57 N -3.13 3.02 0.10 -3.49 -2.07 0.11 -1.03 119.66 113.16 1rck s GLN 57 Ca 0.55 -1.06 0.02 0.00 -1.82 0.00 0.00 55.36 53.05 1rck s GLN 57 Cb -0.10 -2.67 -0.04 0.00 -1.09 0.00 0.00 33.01 29.11 1rck s GLN 57 CO 0.18 0.22 0.21 -2.00 -1.32 0.00 0.00 175.29 172.58 1rck s GLU 58 N -4.01 3.31 -0.30 9.60 2.56 0.14 -1.63 118.70 128.38 1rck s GLU 58 Ca 0.39 -0.56 0.01 0.00 0.00 0.00 0.00 54.97 54.81 1rck s GLU 58 Cb -0.08 -2.94 0.19 0.00 2.00 0.00 0.00 34.13 33.30 1rck s GLU 58 CO 0.28 0.57 0.60 0.12 -0.56 0.00 0.00 175.26 176.27 1rck s PHE 59 N -1.58 -1.66 0.02 5.30 5.36 -0.36 -4.05 117.98 121.01 1rck s PHE 59 Ca 0.34 1.55 -0.27 0.00 -0.96 0.00 0.00 56.93 57.59 1rck s PHE 59 Cb -0.12 0.50 -0.05 0.00 -0.34 0.00 0.00 43.02 43.02 1rck s PHE 59 CO 0.27 -0.93 0.83 -1.25 -1.46 0.00 0.00 175.22 172.68 1rck s PRO 60 N 2.85 4.53 0.45 10.12 0.04 -1.26 -0.61 135.00 151.13 1rck s PRO 60 Ca 0.18 1.17 0.07 0.00 0.04 0.00 0.00 61.00 62.46 1rck s PRO 60 Cb -0.14 -3.41 -0.00 0.00 0.04 0.00 0.00 34.50 30.99 1rck s PRO 60 CO -0.22 0.14 0.39 -1.50 0.04 0.00 0.00 177.00 175.85 1rck s ILE 61 N 0.40 2.37 0.18 0.56 2.07 -0.92 -4.21 121.20 121.65 1rck s ILE 61 Ca 0.43 -1.39 -0.23 0.00 -1.41 0.00 0.00 60.65 58.04 1rck s ILE 61 Cb -0.20 -2.76 0.06 0.00 0.13 0.00 0.00 42.46 39.68 1rck s ILE 61 CO 0.24 0.00 0.72 -1.59 -1.91 0.00 0.00 174.94 172.40 1rck s LYS 62 N -4.17 1.39 -1.26 3.50 -2.85 -1.26 -4.56 119.74 110.53 1rck s LYS 62 Ca 0.45 -0.65 -0.05 0.00 -1.00 0.00 0.00 55.97 54.73 1rck s LYS 62 Cb -0.02 0.55 0.16 0.00 -2.06 0.00 0.00 37.83 36.46 1rck s LYS 62 CO 0.26 -0.62 2.25 0.43 0.10 0.00 0.00 175.35 177.77 1rck n SER 63 N -0.40 7.83 0.11 0.03 7.64 -1.26 -4.29 113.62 123.29 1rck n SER 63 Ca -0.10 -3.26 0.00 0.00 1.01 0.00 0.00 58.87 56.52 1rck n SER 63 Cb 0.62 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 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 1.37 -1.75 0.81 0.23 0.00 -1.26 -5.14 105.19 99.44 1rck n GLY 64 Ca 0.58 0.48 -0.06 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 -1.36 3.92 2.94 -0.02 0.00 -1.26 -5.14 105.19 104.26 1rck n GLY 65 Ca 0.00 -2.00 -0.31 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.84 1.74 -0.27 1.61 1.01 -1.26 -4.26 120.40 117.12 1rck s VAL 66 Ca 0.04 -1.73 -0.04 0.00 0.00 0.00 0.00 61.98 60.26 1rck s VAL 66 Cb 0.00 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.24 1rck s VAL 66 CO 0.03 -0.41 0.07 0.00 0.00 0.00 0.00 175.10 174.79 1rck n TYR 67 N 4.53 -4.07 -2.80 5.22 9.36 -1.26 -5.03 117.16 123.10 1rck n TYR 67 Ca -0.04 1.98 -0.00 0.00 3.32 0.00 0.00 57.90 63.16 1rck n TYR 67 Cb 0.43 -3.95 0.06 0.00 -0.63 0.00 0.00 39.34 35.25 1rck n TYR 67 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1rck n THR 68 N 0.97 1.05 -2.00 2.97 -2.24 -1.26 -5.07 114.28 108.70 1rck n THR 68 Ca -0.12 -2.59 -0.02 0.00 -2.27 0.00 0.00 64.05 59.05 1rck n THR 68 Cb 0.18 1.26 -0.02 0.00 -2.10 0.00 0.00 70.33 69.65 1rck n THR 68 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rck n GLY 69 N -0.70 -3.93 3.30 3.38 0.00 -1.26 -5.07 105.19 100.91 1rck n GLY 69 Ca 0.03 0.53 -0.26 0.00 0.00 0.00 0.00 46.02 46.33 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 0.70 -1.72 2.51 -0.02 0.00 -1.26 -4.84 105.19 100.55 1rck n GLY 70 Ca -0.16 -1.66 -0.01 0.00 0.00 0.00 0.00 46.02 44.19 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 -3.93 -5.92 -4.73 1.61 2.88 -1.26 -4.81 113.62 97.46 1rck n SER 71 Ca 0.14 1.21 -0.42 0.00 -1.33 0.00 0.00 58.87 58.47 1rck n SER 71 Cb 0.51 -4.68 -0.02 0.00 -0.75 0.00 0.00 64.21 59.26 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 0.75 2.76 0.00 -1.46 -0.02 -1.26 -5.14 135.00 130.63 1rck n PRO 72 Ca -0.07 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1rck n PRO 72 Cb 0.10 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 30.77 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 3.16 -1.86 0.32 -1.23 0.00 -1.26 -5.03 105.19 99.28 1rck n GLY 73 Ca 0.13 0.83 0.20 0.00 0.00 0.00 0.00 46.02 47.17 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 1.05 -2.77 4.61 0.00 -1.99 -3.43 119.26 116.73 1rck h ALA 74 Ca 0.00 -0.01 -0.61 0.00 0.00 0.00 0.00 54.91 54.29 1rck h ALA 74 Cb 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1rck h ALA 74 CO 0.00 0.01 -0.26 -0.51 0.00 0.00 0.00 179.25 178.49 1rck s ASP 75 N -5.42 6.67 -0.10 0.00 1.11 -1.26 -1.98 116.67 115.70 1rck s ASP 75 Ca -0.03 0.80 -0.26 0.00 0.18 0.00 0.00 52.55 53.23 1rck s ASP 75 Cb 0.12 -2.21 0.06 0.00 1.07 0.00 0.00 42.92 41.96 1rck s ASP 75 CO 0.46 0.27 0.61 0.00 1.18 0.00 0.00 175.17 177.69 1rck s ARG 76 N -0.65 0.91 0.03 8.23 1.70 -0.83 -2.17 118.95 126.17 1rck s ARG 76 Ca 0.21 0.36 0.04 0.00 -0.47 0.00 0.00 55.73 55.86 1rck s ARG 76 Cb -0.15 0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 34.62 1rck s ARG 76 CO 0.10 -0.24 -0.04 0.14 -1.08 0.00 0.00 175.30 174.18 1rck s VAL 77 N -0.80 3.80 -0.12 4.99 -7.23 0.22 -1.64 120.40 119.63 1rck s VAL 77 Ca -0.08 -0.83 0.00 0.00 -1.81 0.00 0.00 61.98 59.26 1rck s VAL 77 Cb -0.02 -2.70 0.02 0.00 0.56 0.00 0.00 36.38 34.24 1rck s VAL 77 CO 0.07 0.31 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.37 1rck s VAL 78 N -1.10 1.23 0.47 1.32 1.01 -0.93 -1.22 120.40 121.18 1rck s VAL 78 Ca 0.20 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.82 1rck s VAL 78 Cb -0.11 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1rck s VAL 78 CO 0.11 0.40 0.40 0.27 0.00 0.00 0.00 175.10 176.28 1rck s ILE 79 N 1.50 2.29 0.44 2.22 -4.36 -0.65 -2.12 121.20 120.52 1rck s ILE 79 Ca 0.03 -1.39 -0.02 0.00 -0.26 0.00 0.00 60.65 59.01 1rck s ILE 79 Cb -0.13 -2.68 -0.02 0.00 1.25 0.00 0.00 42.46 40.88 1rck s ILE 79 CO -0.07 0.00 0.68 0.20 0.24 0.00 0.00 174.94 175.98 1rck s ASN 80 N -4.20 6.07 -0.64 4.36 -0.87 0.27 -0.72 114.94 119.22 1rck s ASN 80 Ca 0.44 0.53 -0.07 0.00 -1.57 0.00 0.00 52.86 52.20 1rck s ASN 80 Cb -0.02 -1.89 -0.19 0.00 -0.02 0.00 0.00 41.25 39.13 1rck s ASN 80 CO 0.26 -0.57 3.25 1.07 -2.57 0.00 0.00 177.10 178.54 1rck n THR 81 N -2.07 3.39 0.00 1.60 5.66 -1.26 -3.74 114.28 117.87 1rck n THR 81 Ca -0.01 -1.86 0.00 0.00 -3.05 0.00 0.00 64.05 59.13 1rck n THR 81 Cb 0.57 -2.22 0.00 0.00 -1.55 0.00 0.00 70.33 67.12 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 2.98 0.00 0.00 1.09 3.02 -1.26 -5.06 115.26 116.03 1rck n ASN 82 Ca 0.55 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.10 1rck n ASN 82 Cb 0.61 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 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 4.34 0.07 0.00 2.02 -1.26 -4.90 118.70 118.97 1rck s GLU 84 Ca 0.00 0.49 -0.31 0.00 0.02 0.00 0.00 54.97 55.18 1rck s GLU 84 Cb 0.00 -3.44 -0.09 0.00 0.10 0.00 0.00 34.13 30.70 1rck s GLU 84 CO 0.00 0.13 1.72 -0.47 0.02 0.00 0.00 175.26 176.67 1rck s TYR 85 N 0.69 2.21 -0.21 1.61 6.14 -1.26 -0.57 117.35 125.96 1rck s TYR 85 Ca 0.27 0.15 -0.18 0.00 0.64 0.00 0.00 57.07 57.95 1rck s TYR 85 Cb -0.15 -4.04 -0.15 0.00 0.42 0.00 0.00 41.96 38.04 1rck s TYR 85 CO 0.11 -4.26 0.05 0.00 0.64 0.00 0.00 175.55 172.09 1rck n ALA 86 N 5.95 0.80 0.00 3.97 0.00 -0.90 -4.87 120.51 125.46 1rck n ALA 86 Ca 0.17 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1rck n ALA 86 Cb 0.40 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 1.43 1.19 3.88 0.00 0.00 -1.02 -4.88 105.19 105.80 1rck n GLY 87 Ca -0.32 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 1rck n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rck s ALA 88 N -2.00 3.86 0.09 4.61 0.00 -1.26 -2.18 121.76 124.88 1rck s ALA 88 Ca 0.00 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.39 1rck s ALA 88 Cb 0.00 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 1rck s ALA 88 CO 0.00 0.62 -0.08 0.96 0.00 0.00 0.00 175.76 177.26 1rck s ILE 89 N -1.10 0.72 0.14 0.00 -4.36 -0.65 -1.54 121.20 114.41 1rck s ILE 89 Ca 0.19 -1.68 -0.21 0.00 -0.26 0.00 0.00 60.65 58.69 1rck s ILE 89 Cb -0.13 -1.38 0.06 0.00 1.25 0.00 0.00 42.46 42.26 1rck s ILE 89 CO 0.08 -0.69 0.53 -0.89 0.24 0.00 0.00 174.94 174.21 1rck s THR 90 N -2.86 0.03 -0.10 8.37 2.01 -0.49 -1.96 115.64 120.64 1rck s THR 90 Ca 0.06 -0.22 -0.05 0.00 0.31 0.00 0.00 61.69 61.79 1rck s THR 90 Cb 0.00 -1.06 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 1rck s THR 90 CO -0.02 -0.12 0.18 0.45 -0.69 0.00 0.00 174.62 174.42 1rck h HIS 91 N 2.17 -0.06 0.00 4.92 -0.00 -1.63 -1.50 115.15 119.05 1rck h HIS 91 Ca -0.34 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.03 1rck h HIS 91 Cb 1.28 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.72 1rck h HIS 91 CO 0.27 0.08 0.00 -2.37 -0.00 0.00 0.00 177.93 175.91 1rck n THR 92 N -4.81 0.00 0.00 2.45 5.66 -1.26 -2.55 114.28 113.77 1rck n THR 92 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1rck n THR 92 Cb 0.08 -0.39 0.00 0.00 -1.55 0.00 0.00 70.33 68.47 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 0.36 0.62 0.00 1.09 0.00 -1.26 -5.06 105.19 100.94 1rck n GLY 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -0.11 4.61 0.00 -1.06 -4.99 120.51 118.97 1rck n ALA 94 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1rck n ALA 94 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1rck n ALA 94 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1rck h SER 95 N 0.00 0.39 0.00 0.00 0.02 -1.92 -3.48 113.55 108.56 1rck h SER 95 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1rck h SER 95 Cb 0.00 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1rck h SER 95 CO 0.00 0.28 0.00 0.61 -1.14 0.00 0.00 176.83 176.58 1rck n GLY 96 N -1.19 -1.89 0.19 -3.77 0.00 -1.26 -4.92 105.19 92.34 1rck n GLY 96 Ca -0.00 0.74 0.14 0.00 0.00 0.00 0.00 46.02 46.90 1rck n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rck n ASN 97 N 0.00 0.67 -4.56 1.61 3.02 -1.26 -4.92 115.26 109.82 1rck n ASN 97 Ca 0.00 -0.93 -0.29 0.00 -0.03 0.00 0.00 54.58 53.34 1rck n ASN 97 Cb 0.00 -0.02 0.22 0.00 -0.61 0.00 0.00 39.78 39.37 1rck n ASN 97 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1rck s ASN 98 N -2.25 1.64 0.05 6.41 -0.87 -1.26 -5.04 114.94 113.62 1rck s ASN 98 Ca 0.35 1.51 0.00 0.00 -1.57 0.00 0.00 52.86 53.15 1rck s ASN 98 Cb 0.21 -2.22 -0.03 0.00 -0.02 0.00 0.00 41.25 39.18 1rck s ASN 98 CO 0.42 -3.79 -0.04 -0.36 -2.57 0.00 0.00 177.10 170.76 1rck s PHE 99 N -2.62 0.53 0.21 2.20 0.08 -1.26 -4.51 117.98 112.62 1rck s PHE 99 Ca 0.67 -0.84 0.03 0.00 0.12 0.00 0.00 56.93 56.91 1rck s PHE 99 Cb -0.23 -0.36 -0.05 0.00 -0.57 0.00 0.00 43.02 41.81 1rck s PHE 99 CO 0.62 -0.26 0.01 0.14 -0.10 0.00 0.00 175.22 175.63 1rck s VAL 100 N -2.93 0.88 0.74 -0.44 -7.23 -0.57 -4.98 120.40 105.87 1rck s VAL 100 Ca -0.00 -2.01 -0.11 0.00 -1.81 0.00 0.00 61.98 58.04 1rck s VAL 100 Cb 0.01 -2.29 0.03 0.00 0.56 0.00 0.00 36.38 34.69 1rck s VAL 100 CO -0.06 -0.35 1.08 -0.83 -0.31 0.00 0.00 175.10 174.63 1rck s GLY 101 N -3.26 1.65 0.09 2.32 0.00 -1.26 -1.40 107.32 105.45 1rck s GLY 101 Ca 0.28 -0.05 -0.10 0.00 0.00 0.00 0.00 44.72 44.85 1rck s GLY 101 CO 0.08 0.31 0.23 0.00 0.00 0.00 0.00 173.10 173.72 1rck n SER 103 N 0.03 -6.01 -3.45 0.00 2.88 -1.24 -3.02 113.62 102.81 1rck n SER 103 Ca -0.16 -0.41 -0.21 0.00 -1.33 0.00 0.00 58.87 56.76 1rck n SER 103 Cb 0.62 -4.71 0.08 0.00 -0.75 0.00 0.00 64.21 59.45 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 -1.75 -0.45 1.34 0.46 0.00 -1.26 -4.91 105.19 98.62 1rck n GLY 104 Ca -0.04 0.18 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 1rck n GLY 104 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1rck n THR 105 N -4.66 1.60 1.97 2.61 5.66 -1.17 -5.18 114.28 115.12 1rck n THR 105 Ca -0.08 -0.71 0.16 0.00 -3.05 0.00 0.00 64.05 60.38 1rck n THR 105 Cb 0.59 -0.63 0.92 0.00 -1.55 0.00 0.00 70.33 69.66 1rck n THR 105 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56