#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 -1.36 -2.45 -0.43 0.00 -1.26 -4.83 120.51 110.19 1rck n ALA 3 Ca 0.00 0.01 -0.38 0.00 0.00 0.00 0.00 53.44 53.07 1rck n ALA 3 Cb 0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 19.45 18.86 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 -3.02 4.96 -0.13 0.00 2.01 -0.46 -4.93 115.64 114.07 1rck s THR 4 Ca 0.02 0.92 0.01 0.00 0.31 0.00 0.00 61.69 62.94 1rck s THR 4 Cb -0.00 -3.75 0.02 0.00 0.01 0.00 0.00 72.50 68.77 1rck s THR 4 CO 0.10 0.56 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.56 1rck s THR 5 N -1.11 1.52 -1.07 -0.82 2.01 -1.26 -0.76 115.64 114.15 1rck s THR 5 Ca 0.26 -0.62 -0.07 0.00 0.31 0.00 0.00 61.69 61.57 1rck s THR 5 Cb -0.17 -1.42 0.27 0.00 0.01 0.00 0.00 72.50 71.19 1rck s THR 5 CO 0.15 0.45 1.10 0.00 -0.69 0.00 0.00 174.62 175.62 1rck n GLY 7 N 2.43 1.33 0.13 0.00 0.00 -1.26 -2.32 105.19 105.50 1rck n GLY 7 Ca 0.24 0.24 -0.17 0.00 0.00 0.00 0.00 46.02 46.32 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 6.74 1.93 -4.55 1.61 2.88 -1.26 -4.85 113.62 116.11 1rck n SER 8 Ca 0.00 -0.13 -0.36 0.00 -1.33 0.00 0.00 58.87 57.05 1rck n SER 8 Cb 0.00 -0.34 -0.04 0.00 -0.75 0.00 0.00 64.21 63.08 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 -2.51 3.48 0.54 2.46 2.01 -0.98 -4.98 115.64 115.66 1rck s THR 9 Ca -0.33 -0.00 -0.15 0.00 0.31 0.00 0.00 61.69 61.51 1rck s THR 9 Cb 0.09 -4.21 -0.07 0.00 0.01 0.00 0.00 72.50 68.32 1rck s THR 9 CO 0.60 -1.16 1.00 0.54 -0.69 0.00 0.00 174.62 174.91 1rck s ASN 10 N 7.14 6.53 -0.09 3.53 4.22 -1.26 -1.81 114.94 133.20 1rck s ASN 10 Ca 0.61 1.54 -0.03 0.00 -2.14 0.00 0.00 52.86 52.84 1rck s ASN 10 Cb -0.09 -2.50 0.05 0.00 1.28 0.00 0.00 41.25 39.98 1rck s ASN 10 CO 0.11 -0.66 0.16 -0.31 -2.04 0.00 0.00 177.10 174.37 1rck s TYR 11 N -2.74 -0.17 0.89 1.54 2.02 0.06 -4.92 117.35 114.03 1rck s TYR 11 Ca 0.58 0.59 -0.11 0.00 -0.37 0.00 0.00 57.07 57.77 1rck s TYR 11 Cb -0.10 -0.27 0.13 0.00 -0.40 0.00 0.00 41.96 41.32 1rck s TYR 11 CO 0.36 -0.28 1.16 0.45 -1.57 0.00 0.00 175.55 175.68 1rck s SER 12 N 2.29 3.04 0.48 2.29 0.15 -1.26 -1.35 113.70 119.34 1rck s SER 12 Ca 0.03 2.24 0.33 0.00 0.70 0.00 0.00 55.95 59.25 1rck s SER 12 Cb -0.12 -2.57 1.74 0.00 -1.71 0.00 0.00 66.02 63.35 1rck s SER 12 CO -0.06 -3.03 2.00 0.00 1.20 0.00 0.00 173.24 173.35 1rck h ALA 13 N -1.67 1.00 0.04 5.45 0.00 -1.92 -0.36 119.26 121.80 1rck h ALA 13 Ca -0.44 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.30 1rck h ALA 13 Cb 1.28 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.08 1rck h ALA 13 CO 0.42 0.00 -0.70 1.03 0.00 0.00 0.00 179.25 180.01 1rck h SER 14 N 0.00 0.55 -0.26 0.00 0.87 -1.98 -2.57 113.55 110.16 1rck h SER 14 Ca 0.00 -0.80 -0.04 0.00 -1.23 0.00 0.00 61.79 59.72 1rck h SER 14 Cb 0.04 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 1rck h SER 14 CO 0.00 1.29 0.02 1.56 -0.53 0.00 0.00 176.83 179.17 1rck h GLN 15 N -0.12 0.45 0.15 2.24 1.08 -1.44 0.67 115.11 118.14 1rck h GLN 15 Ca -0.10 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 1rck h GLN 15 Cb 1.43 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.80 1rck h GLN 15 CO 0.14 0.60 -0.15 0.28 -0.95 0.00 0.00 178.83 178.75 1rck h VAL 16 N 0.25 0.67 -0.08 -0.54 2.07 -1.37 -2.67 116.25 114.58 1rck h VAL 16 Ca 0.08 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.50 1rck h VAL 16 Cb 0.38 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1rck h VAL 16 CO 0.01 0.00 -0.38 -0.09 0.02 0.00 0.00 177.57 177.13 1rck h ARG 17 N -0.32 0.16 0.65 1.57 2.43 -1.43 -1.77 114.38 115.67 1rck h ARG 17 Ca 0.00 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 1rck h ARG 17 Cb 0.31 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1rck h ARG 17 CO -0.04 0.52 -0.31 0.00 -1.51 0.00 0.00 179.97 178.63 1rck h ALA 18 N 1.48 -0.88 -0.02 2.80 0.00 -0.68 -0.39 119.26 121.56 1rck h ALA 18 Ca 0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1rck h ALA 18 Cb 0.74 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1rck h ALA 18 CO 0.06 -0.82 -0.12 0.00 0.00 0.00 0.00 179.25 178.37 1rck h ALA 19 N -1.24 1.76 0.05 0.00 0.00 -1.55 -1.82 119.26 116.45 1rck h ALA 19 Ca -0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1rck h ALA 19 Cb 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1rck h ALA 19 CO 0.15 0.18 -0.02 0.00 0.00 0.00 0.00 179.25 179.56 1rck h ALA 20 N 1.85 -0.06 0.00 0.00 0.00 -1.31 -2.80 119.26 116.94 1rck h ALA 20 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1rck h ALA 20 Cb 0.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1rck h ALA 20 CO 0.02 -0.18 0.00 -0.91 0.00 0.00 0.00 179.25 178.17 1rck h ASN 21 N -0.76 0.00 0.00 0.00 2.35 -0.94 -0.76 115.58 115.47 1rck h ASN 21 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1rck h ASN 21 Cb 0.64 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1rck h ASN 21 CO 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.79 1rck n ALA 22 N -2.06 -0.13 0.08 -0.83 0.00 -0.70 -2.52 120.51 114.35 1rck n ALA 22 Ca -0.03 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.58 1rck n ALA 22 Cb 0.08 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.22 1rck n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rck h ALA 23 N -2.00 2.31 -0.66 0.00 0.00 -1.47 0.85 119.26 118.30 1rck h ALA 23 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1rck h ALA 23 Cb 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1rck h ALA 23 CO 0.00 -0.47 0.36 0.00 0.00 0.00 0.00 179.25 179.14 1rck n GLN 25 N -4.79 2.24 0.00 0.00 7.27 -0.25 -4.46 117.38 117.39 1rck n GLN 25 Ca 0.08 -1.85 0.00 0.00 0.07 0.00 0.00 57.00 55.30 1rck n GLN 25 Cb 0.17 -1.47 0.00 0.00 2.41 0.00 0.00 30.24 31.34 1rck n GLN 25 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1rck n TYR 26 N 1.10 0.00 0.01 3.69 4.01 0.13 -4.57 117.16 121.51 1rck n TYR 26 Ca 0.18 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.81 1rck n TYR 26 Cb 0.52 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.46 1rck n TYR 26 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1rck h TYR 27 N 0.00 -0.11 -0.17 -0.72 3.20 -0.81 -3.25 116.97 115.12 1rck h TYR 27 Ca 0.00 -0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.67 1rck h TYR 27 Cb 0.00 0.03 -0.36 0.00 1.54 0.00 0.00 36.73 37.94 1rck h TYR 27 CO 0.00 0.44 -1.01 0.94 -1.64 0.00 0.00 178.16 176.89 1rck n GLN 28 N -4.83 0.83 0.06 1.82 7.27 -1.26 -4.74 117.38 116.54 1rck n GLN 28 Ca -0.08 -2.67 -0.03 0.00 0.07 0.00 0.00 57.00 54.29 1rck n GLN 28 Cb 0.29 -0.74 -0.02 0.00 2.41 0.00 0.00 30.24 32.19 1rck n GLN 28 CO 0.00 0.00 0.00 -2.95 0.07 0.00 0.00 177.06 174.18 1rck h ASN 29 N 1.55 -0.18 0.00 1.69 -1.07 -1.81 -3.47 115.58 112.31 1rck h ASN 29 Ca -0.16 0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.22 1rck h ASN 29 Cb 1.61 0.05 0.00 0.00 -2.07 0.00 0.00 38.32 37.91 1rck h ASN 29 CO 0.15 0.05 0.00 -0.90 0.07 0.00 0.00 177.43 176.80 1rck n ASP 30 N -3.55 0.00 -1.32 6.14 5.75 -1.26 -5.12 116.55 117.19 1rck n ASP 30 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 1rck n ASP 30 Cb 0.08 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1rck n ASP 30 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1rck n ASP 31 N 0.00 -0.14 0.01 -1.12 2.03 -1.26 -5.09 116.55 110.97 1rck n ASP 31 Ca 0.00 -1.04 0.00 0.00 0.52 0.00 0.00 54.79 54.27 1rck n ASP 31 Cb 0.00 0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 1rck n ASP 31 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1rck n THR 32 N -0.10 0.18 -4.05 5.18 -2.24 -1.23 -4.43 114.28 107.58 1rck n THR 32 Ca 0.00 0.06 -0.35 0.00 -2.27 0.00 0.00 64.05 61.49 1rck n THR 32 Cb 0.07 -1.38 -0.02 0.00 -2.10 0.00 0.00 70.33 66.90 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 -3.03 -2.31 -2.99 6.98 0.00 -1.26 -4.50 120.51 113.40 1rck n ALA 33 Ca 0.00 -0.41 -0.15 0.00 0.00 0.00 0.00 53.44 52.88 1rck n ALA 33 Cb 0.36 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.66 1rck n ALA 33 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rck s GLY 34 N -3.94 1.46 0.01 0.00 0.00 -1.26 -4.80 107.32 98.79 1rck s GLY 34 Ca 0.25 -1.49 -0.11 0.00 0.00 0.00 0.00 44.72 43.37 1rck s GLY 34 CO 0.94 -0.94 1.09 1.48 0.00 0.00 0.00 173.10 175.67 1rck h SER 35 N 2.06 -0.32 0.00 1.64 4.64 -1.81 -3.48 113.55 116.28 1rck h SER 35 Ca -0.29 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1rck h SER 35 Cb 1.24 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1rck h SER 35 CO 0.39 -0.22 0.00 -0.24 -0.87 0.00 0.00 176.83 175.89 1rck n SER 36 N -3.09 -1.34 -1.77 4.97 2.88 -1.26 -4.96 113.62 109.05 1rck n SER 36 Ca -0.05 0.32 -0.16 0.00 -1.33 0.00 0.00 58.87 57.65 1rck n SER 36 Cb 0.15 1.53 0.17 0.00 -0.75 0.00 0.00 64.21 65.32 1rck n SER 36 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1rck n THR 37 N -2.72 2.94 -3.15 2.46 -2.24 -1.26 -4.82 114.28 105.49 1rck n THR 37 Ca 0.00 -2.48 0.04 0.00 -2.27 0.00 0.00 64.05 59.35 1rck n THR 37 Cb 0.00 -0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 67.73 1rck n THR 37 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1rck s TYR 38 N -3.34 -1.31 0.77 4.78 2.02 -1.26 -4.30 117.35 114.70 1rck s TYR 38 Ca 0.52 1.05 -0.13 0.00 -0.37 0.00 0.00 57.07 58.13 1rck s TYR 38 Cb 0.45 0.33 0.06 0.00 -0.40 0.00 0.00 41.96 42.40 1rck s TYR 38 CO 0.05 -0.75 1.16 -2.14 -1.57 0.00 0.00 175.55 172.30 1rck s PRO 39 N 2.88 2.00 0.03 -1.71 0.02 -1.26 -2.25 135.00 134.72 1rck s PRO 39 Ca 0.14 1.57 -0.29 0.00 0.02 0.00 0.00 61.00 62.45 1rck s PRO 39 Cb -0.10 -1.84 0.10 0.00 0.02 0.00 0.00 34.50 32.68 1rck s PRO 39 CO -0.21 -1.90 1.13 -3.38 -0.33 0.00 0.00 177.00 172.31 1rck s HIS 40 N -2.32 -0.10 0.60 6.54 -3.43 -1.26 -4.85 115.29 110.47 1rck s HIS 40 Ca 0.70 -0.08 -0.18 0.00 -0.80 0.00 0.00 55.06 54.70 1rck s HIS 40 Cb -0.25 0.58 -0.03 0.00 -1.43 0.00 0.00 32.58 31.45 1rck s HIS 40 CO 0.49 -0.50 1.15 -0.08 -2.00 0.00 0.00 174.74 173.80 1rck s THR 41 N -2.79 3.01 -0.47 -5.38 -1.32 -1.26 -2.49 115.64 104.94 1rck s THR 41 Ca 0.12 0.57 -0.29 0.00 -1.21 0.00 0.00 61.69 60.89 1rck s THR 41 Cb 0.02 -3.17 0.03 0.00 -1.51 0.00 0.00 72.50 67.87 1rck s THR 41 CO -0.02 -0.19 1.15 -0.47 -2.21 0.00 0.00 174.62 172.88 1rck s TYR 42 N -1.90 2.82 0.00 9.09 6.14 -0.37 -4.77 117.35 128.35 1rck s TYR 42 Ca 0.72 0.73 0.00 0.00 0.64 0.00 0.00 57.07 59.17 1rck s TYR 42 Cb -0.25 -4.41 0.00 0.00 0.42 0.00 0.00 41.96 37.73 1rck s TYR 42 CO 0.33 -1.28 0.00 0.27 0.64 0.00 0.00 175.55 175.52 1rck n ASN 43 N 7.84 0.00 0.00 4.32 0.23 -1.26 -4.81 115.26 121.58 1rck n ASN 43 Ca 0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.17 1rck n ASN 43 Cb 0.49 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 1rck n ASN 43 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1rck n ASN 44 N 0.00 0.00 -4.68 0.53 3.02 -1.26 -5.12 115.26 107.75 1rck n ASN 44 Ca 0.00 0.00 -0.45 0.00 -0.03 0.00 0.00 54.58 54.10 1rck n ASN 44 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 1rck n ASN 44 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1rck n TYR 45 N 0.00 2.42 -3.08 3.10 4.01 -1.26 -2.29 117.16 120.06 1rck n TYR 45 Ca 0.00 -0.01 -0.14 0.00 -0.16 0.00 0.00 57.90 57.60 1rck n TYR 45 Cb 0.00 -2.66 0.06 0.00 -0.31 0.00 0.00 39.34 36.43 1rck n TYR 45 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1rck n GLU 46 N 5.55 -2.54 -1.88 -0.72 1.02 -1.26 -4.90 120.64 115.90 1rck n GLU 46 Ca 0.19 0.77 -0.43 0.00 -0.02 0.00 0.00 57.16 57.67 1rck n GLU 46 Cb 0.33 -5.36 -0.03 0.00 -0.02 0.00 0.00 31.44 26.35 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 -3.47 0.82 0.75 0.62 0.00 -0.97 -4.99 107.32 100.08 1rck s GLY 47 Ca 0.35 0.52 -0.10 0.00 0.00 0.00 0.00 44.72 45.49 1rck s GLY 47 CO 0.65 3.40 1.10 -0.12 0.00 0.00 0.00 173.10 178.13 1rck s PHE 48 N 6.90 2.99 0.10 1.90 5.36 -1.26 -5.03 117.98 128.94 1rck s PHE 48 Ca 0.85 0.66 -0.31 0.00 -0.96 0.00 0.00 56.93 57.18 1rck s PHE 48 Cb -0.27 -3.31 -0.07 0.00 -0.34 0.00 0.00 43.02 39.03 1rck s PHE 48 CO 0.34 -1.54 1.31 -0.51 -1.46 0.00 0.00 175.22 173.35 1rck s ASP 49 N -4.52 6.93 -0.30 6.13 1.01 -1.26 -5.03 116.67 119.64 1rck s ASP 49 Ca 0.61 2.20 -0.12 0.00 0.71 0.00 0.00 52.55 55.94 1rck s ASP 49 Cb -0.11 -2.58 0.14 0.00 1.01 0.00 0.00 42.92 41.38 1rck s ASP 49 CO 0.48 -0.57 0.77 -0.36 0.21 0.00 0.00 175.17 175.70 1rck s PHE 50 N 1.04 -1.08 0.00 4.23 0.08 -1.26 -4.98 117.98 116.00 1rck s PHE 50 Ca 0.62 1.90 0.00 0.00 0.12 0.00 0.00 56.93 59.57 1rck s PHE 50 Cb -0.34 0.65 0.00 0.00 -0.57 0.00 0.00 43.02 42.76 1rck s PHE 50 CO 0.30 -0.54 0.00 -2.30 -0.10 0.00 0.00 175.22 172.58 1rck n PRO 51 N 5.16 -0.39 0.00 0.24 -0.02 -1.26 -4.67 135.00 134.05 1rck n PRO 51 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1rck n PRO 51 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 1rck n PRO 51 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1rck n VAL 52 N -1.86 0.00 0.04 -1.45 0.31 -1.26 -4.71 118.33 109.40 1rck n VAL 52 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1rck n VAL 52 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 7.60 -0.80 0.00 4.52 2.03 -1.26 -5.19 116.55 123.45 1rck n ASP 53 Ca 0.00 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.54 1rck n ASP 53 Cb 0.00 1.01 0.00 0.00 -0.72 0.00 0.00 41.12 41.41 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 -1.44 -0.63 3.64 0.27 0.00 -1.26 -4.93 105.19 100.84 1rck n GLY 54 Ca 0.00 -2.23 -0.30 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.27 0.66 0.46 1.61 0.04 -1.26 -4.82 135.00 131.42 1rck s PRO 55 Ca 0.00 1.17 0.07 0.00 0.04 0.00 0.00 61.00 62.27 1rck s PRO 55 Cb 0.00 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 1rck s PRO 55 CO 0.00 -2.75 0.30 0.71 0.04 0.00 0.00 177.00 175.30 1rck s TYR 56 N -2.68 2.31 -0.02 0.56 1.51 -1.26 -1.54 117.35 116.22 1rck s TYR 56 Ca 0.66 -0.65 -0.00 0.00 -1.01 0.00 0.00 57.07 56.07 1rck s TYR 56 Cb -0.22 -2.00 0.03 0.00 -0.11 0.00 0.00 41.96 39.66 1rck s TYR 56 CO 0.59 -0.11 0.04 1.14 -1.11 0.00 0.00 175.55 176.10 1rck s GLN 57 N -4.09 -0.03 0.38 -0.62 -2.07 -0.39 -1.24 119.66 111.60 1rck s GLN 57 Ca 0.40 0.18 0.01 0.00 -1.82 0.00 0.00 55.36 54.13 1rck s GLN 57 Cb -0.00 -0.22 -0.02 0.00 -1.09 0.00 0.00 33.01 31.68 1rck s GLN 57 CO 0.23 -0.15 0.58 -1.21 -1.32 0.00 0.00 175.29 173.42 1rck s GLU 58 N 0.96 3.32 -0.30 9.60 2.02 -1.04 -1.71 118.70 131.56 1rck s GLU 58 Ca -0.08 -0.45 0.02 0.00 0.02 0.00 0.00 54.97 54.48 1rck s GLU 58 Cb -0.11 -2.65 0.19 0.00 0.10 0.00 0.00 34.13 31.66 1rck s GLU 58 CO -0.03 0.02 0.60 0.12 0.02 0.00 0.00 175.26 175.98 1rck s PHE 59 N -2.37 -1.71 -0.13 1.61 2.19 -0.62 -4.02 117.98 112.93 1rck s PHE 59 Ca 0.43 1.46 -0.29 0.00 0.33 0.00 0.00 56.93 58.86 1rck s PHE 59 Cb -0.10 0.47 -0.03 0.00 -1.31 0.00 0.00 43.02 42.06 1rck s PHE 59 CO 0.36 -0.96 1.35 -1.25 1.83 0.00 0.00 175.22 176.55 1rck s PRO 60 N 2.85 4.23 0.50 10.12 0.04 -1.26 -1.54 135.00 149.94 1rck s PRO 60 Ca 0.17 1.79 -0.07 0.00 0.04 0.00 0.00 61.00 62.93 1rck s PRO 60 Cb -0.13 -3.80 0.11 0.00 0.04 0.00 0.00 34.50 30.72 1rck s PRO 60 CO -0.23 -0.72 0.69 1.51 0.04 0.00 0.00 177.00 178.28 1rck n ILE 61 N 5.33 0.00 -3.55 0.56 3.06 -0.68 -4.16 119.36 119.92 1rck n ILE 61 Ca 0.14 -0.64 -0.10 0.00 -2.50 0.00 0.00 62.75 59.65 1rck n ILE 61 Cb 0.44 -1.55 -0.02 0.00 0.54 0.00 0.00 39.64 39.06 1rck n ILE 61 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 1rck s LYS 62 N -4.41 1.41 -1.05 9.51 -0.14 -1.22 -4.81 119.74 119.03 1rck s LYS 62 Ca 0.40 -0.62 -0.08 0.00 -1.36 0.00 0.00 55.97 54.31 1rck s LYS 62 Cb -0.01 0.59 -0.14 0.00 -1.68 0.00 0.00 37.83 36.59 1rck s LYS 62 CO 0.28 -0.63 3.04 0.45 -0.76 0.00 0.00 175.35 177.73 1rck n SER 63 N -0.40 7.22 0.00 2.83 2.88 -1.26 -3.88 113.62 121.02 1rck n SER 63 Ca -0.13 -2.50 0.00 0.00 -1.33 0.00 0.00 58.87 54.91 1rck n SER 63 Cb 0.63 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 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 3.27 0.31 0.00 0.46 0.00 -1.26 -5.16 105.19 102.80 1rck n GLY 64 Ca 0.64 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 4.31 3.95 -0.02 0.00 -1.25 -5.16 105.19 107.02 1rck n GLY 65 Ca 0.00 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 1rck n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rck s VAL 66 N -1.03 5.27 -0.46 1.61 0.11 -1.26 -3.42 120.40 121.22 1rck s VAL 66 Ca 0.00 -0.86 -0.05 0.00 -2.93 0.00 0.00 61.98 58.14 1rck s VAL 66 Cb 0.00 -3.79 0.01 0.00 -1.53 0.00 0.00 36.38 31.06 1rck s VAL 66 CO 0.00 -0.22 0.50 0.00 -3.33 0.00 0.00 175.10 172.05 1rck n TYR 67 N -1.00 -2.42 -3.94 1.54 4.19 -1.26 -5.06 117.16 109.21 1rck n TYR 67 Ca -0.08 0.95 0.00 0.00 3.31 0.00 0.00 57.90 62.08 1rck n TYR 67 Cb 0.56 -3.47 0.00 0.00 0.49 0.00 0.00 39.34 36.91 1rck n TYR 67 CO 0.00 0.00 0.00 0.25 0.91 0.00 0.00 176.86 178.02 1rck n THR 68 N -1.06 0.00 -1.67 2.97 -2.24 -1.26 -5.09 114.28 105.93 1rck n THR 68 Ca 0.04 0.00 -0.50 0.00 -2.27 0.00 0.00 64.05 61.31 1rck n THR 68 Cb 0.44 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.61 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 1.34 1.08 3.05 3.38 0.00 -1.26 -4.88 105.19 107.89 1rck n GLY 69 Ca 0.00 0.80 -0.32 0.00 0.00 0.00 0.00 46.02 46.50 1rck n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rck s GLY 70 N 2.60 1.93 -0.27 -0.02 0.00 -1.26 -4.37 107.32 105.93 1rck s GLY 70 Ca 0.89 -2.46 -0.05 0.00 0.00 0.00 0.00 44.72 43.10 1rck s GLY 70 CO 0.51 0.93 0.18 -1.26 0.00 0.00 0.00 173.10 173.46 1rck n SER 71 N 4.35 -6.63 -4.82 1.64 2.88 -1.26 -4.90 113.62 104.87 1rck n SER 71 Ca 0.01 0.84 -0.30 0.00 -1.33 0.00 0.00 58.87 58.09 1rck n SER 71 Cb 0.42 -4.37 0.07 0.00 -0.75 0.00 0.00 64.21 59.58 1rck n SER 71 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1rck s PRO 72 N -1.64 2.38 0.00 -1.46 0.04 -1.26 -5.12 135.00 127.93 1rck s PRO 72 Ca 0.08 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.76 1rck s PRO 72 Cb -0.02 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1rck s PRO 72 CO 0.60 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 176.63 1rck n GLY 73 N -2.28 -0.81 3.22 0.56 0.00 -1.26 -4.66 105.19 99.95 1rck n GLY 73 Ca 0.07 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 0.00 -2.18 4.61 0.00 -1.26 -4.91 120.51 116.77 1rck n ALA 74 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1rck n ALA 74 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 0.00 6.78 0.01 0.00 1.47 -1.26 -2.50 116.67 121.17 1rck s ASP 75 Ca 0.00 2.00 -0.02 0.00 1.18 0.00 0.00 52.55 55.71 1rck s ASP 75 Cb 0.00 -2.54 -0.01 0.00 -0.34 0.00 0.00 42.92 40.04 1rck s ASP 75 CO 0.00 -0.86 0.03 -0.13 0.68 0.00 0.00 175.17 174.89 1rck s ARG 76 N 3.82 0.30 0.01 2.11 0.52 -0.35 -1.69 118.95 123.67 1rck s ARG 76 Ca 0.65 -0.41 0.04 0.00 -0.52 0.00 0.00 55.73 55.50 1rck s ARG 76 Cb -0.28 0.11 -0.03 0.00 0.52 0.00 0.00 34.95 35.27 1rck s ARG 76 CO 0.23 -0.06 -0.10 0.14 0.02 0.00 0.00 175.30 175.53 1rck s VAL 77 N -1.12 3.36 -0.03 3.52 -7.23 -0.59 -1.33 120.40 117.00 1rck s VAL 77 Ca -0.12 -0.88 -0.01 0.00 -1.81 0.00 0.00 61.98 59.16 1rck s VAL 77 Cb -0.07 -2.44 0.03 0.00 0.56 0.00 0.00 36.38 34.46 1rck s VAL 77 CO -0.00 0.40 0.04 -0.69 -0.31 0.00 0.00 175.10 174.53 1rck s VAL 78 N -0.95 -0.07 0.48 1.32 1.01 -0.76 -1.59 120.40 119.84 1rck s VAL 78 Ca 0.16 0.28 0.07 0.00 0.00 0.00 0.00 61.98 62.49 1rck s VAL 78 Cb -0.11 -0.11 0.02 0.00 0.00 0.00 0.00 36.38 36.18 1rck s VAL 78 CO 0.06 0.12 0.46 -0.63 0.00 0.00 0.00 175.10 175.11 1rck s ILE 79 N 1.40 2.27 0.53 2.22 1.01 -0.70 -2.03 121.20 125.90 1rck s ILE 79 Ca -0.05 -1.32 0.01 0.00 0.00 0.00 0.00 60.65 59.30 1rck s ILE 79 Cb -0.13 -2.59 0.03 0.00 0.01 0.00 0.00 42.46 39.78 1rck s ILE 79 CO -0.03 0.00 0.75 0.20 0.00 0.00 0.00 174.94 175.86 1rck s ASN 80 N -4.28 5.38 -0.45 3.58 -0.87 -0.15 -1.27 114.94 116.89 1rck s ASN 80 Ca 0.46 0.02 -0.06 0.00 -1.57 0.00 0.00 52.86 51.71 1rck s ASN 80 Cb -0.04 -0.97 -0.17 0.00 -0.02 0.00 0.00 41.25 40.06 1rck s ASN 80 CO 0.28 -1.06 2.90 1.07 -2.57 0.00 0.00 177.10 177.72 1rck n THR 81 N -2.28 2.81 0.00 1.60 5.66 -0.59 -3.85 114.28 117.63 1rck n THR 81 Ca 0.07 -1.52 0.00 0.00 -3.05 0.00 0.00 64.05 59.55 1rck n THR 81 Cb 0.59 -2.08 0.00 0.00 -1.55 0.00 0.00 70.33 67.30 1rck n THR 81 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1rck n ASN 82 N 3.01 0.00 0.00 1.09 5.15 -1.26 -5.04 115.26 118.22 1rck n ASN 82 Ca 0.45 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.43 1rck n ASN 82 Cb 0.56 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.81 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 3.73 -0.18 0.00 -6.30 -1.26 -4.84 118.70 109.85 1rck s GLU 84 Ca 0.00 0.56 -0.28 0.00 -2.50 0.00 0.00 54.97 52.75 1rck s GLU 84 Cb 0.00 -3.90 -0.06 0.00 0.00 0.00 0.00 34.13 30.18 1rck s GLU 84 CO 0.00 -1.33 2.19 -0.47 0.02 0.00 0.00 175.26 175.67 1rck s TYR 85 N 4.32 1.17 0.04 5.30 5.04 -1.26 -0.98 117.35 130.97 1rck s TYR 85 Ca 0.47 0.38 -0.16 0.00 -2.44 0.00 0.00 57.07 55.32 1rck s TYR 85 Cb -0.08 -3.98 -0.34 0.00 0.35 0.00 0.00 41.96 37.92 1rck s TYR 85 CO 0.30 -4.34 1.03 0.00 -1.34 0.00 0.00 175.55 171.20 1rck h ALA 86 N 14.42 -0.11 0.00 3.97 0.00 -1.69 -3.47 119.26 132.37 1rck h ALA 86 Ca -0.42 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 53.66 1rck h ALA 86 Cb 1.24 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1rck h ALA 86 CO 0.96 0.68 0.00 0.41 0.00 0.00 0.00 179.25 181.30 1rck n GLY 87 N 1.60 2.64 3.69 0.00 0.00 -0.94 -4.55 105.19 107.63 1rck n GLY 87 Ca -0.16 -1.31 -0.27 0.00 0.00 0.00 0.00 46.02 44.28 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 3.28 0.13 4.61 0.00 -1.26 -1.83 121.76 124.68 1rck s ALA 88 Ca 0.00 -1.32 0.05 0.00 0.00 0.00 0.00 51.96 50.69 1rck s ALA 88 Cb 0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 1rck s ALA 88 CO 0.00 0.50 -0.11 0.96 0.00 0.00 0.00 175.76 177.11 1rck s ILE 89 N -1.70 1.14 -0.26 0.00 -4.36 -0.44 -1.35 121.20 114.23 1rck s ILE 89 Ca 0.28 -1.88 -0.24 0.00 -0.26 0.00 0.00 60.65 58.55 1rck s ILE 89 Cb -0.10 -1.65 0.07 0.00 1.25 0.00 0.00 42.46 42.03 1rck s ILE 89 CO 0.19 -0.63 0.70 0.28 0.24 0.00 0.00 174.94 175.72 1rck s THR 90 N -2.85 -0.00 -0.17 8.37 -1.32 -0.09 -1.21 115.64 118.36 1rck s THR 90 Ca 0.12 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.57 1rck s THR 90 Cb -0.00 -0.98 -0.06 0.00 -1.51 0.00 0.00 72.50 69.95 1rck s THR 90 CO 0.01 0.00 2.87 1.41 -2.21 0.00 0.00 174.62 176.70 1rck n HIS 91 N 2.82 0.67 -0.17 9.09 8.25 -1.04 -2.04 115.22 132.79 1rck n HIS 91 Ca -0.14 -1.60 -0.07 0.00 -0.26 0.00 0.00 57.72 55.64 1rck n HIS 91 Cb 0.55 -1.25 0.09 0.00 1.12 0.00 0.00 29.99 30.50 1rck n HIS 91 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rck h THR 92 N 1.68 1.26 -1.31 1.59 1.03 -1.89 -3.33 112.91 111.93 1rck h THR 92 Ca 0.23 -1.08 -0.40 0.00 -0.01 0.00 0.00 66.41 65.15 1rck h THR 92 Cb 1.12 0.81 -0.35 0.00 -1.07 0.00 0.00 68.15 68.66 1rck h THR 92 CO 0.45 0.39 -1.03 0.61 -0.01 0.00 0.00 175.52 175.93 1rck n GLY 93 N -0.53 2.47 0.00 2.99 0.00 -1.26 -4.92 105.19 103.95 1rck n GLY 93 Ca 0.03 -1.23 0.07 0.00 0.00 0.00 0.00 46.02 44.89 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 0.14 2.84 -2.89 4.61 0.00 -1.25 -4.92 120.51 119.04 1rck n ALA 94 Ca 0.16 -0.35 -0.18 0.00 0.00 0.00 0.00 53.44 53.07 1rck n ALA 94 Cb 0.72 -0.49 0.03 0.00 0.00 0.00 0.00 19.45 19.71 1rck n ALA 94 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1rck n SER 95 N -1.83 -5.19 -0.74 0.00 7.64 -1.26 -2.14 113.62 110.10 1rck n SER 95 Ca -0.01 -0.24 -0.09 0.00 1.01 0.00 0.00 58.87 59.54 1rck n SER 95 Cb 0.33 -4.02 -0.03 0.00 -1.01 0.00 0.00 64.21 59.49 1rck n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rck n GLY 96 N -1.39 0.86 1.88 0.23 0.00 -1.26 -4.84 105.19 100.67 1rck n GLY 96 Ca -0.08 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.53 0.00 -4.55 1.61 3.02 -0.95 -5.08 115.26 109.83 1rck n ASN 97 Ca -0.09 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.09 1rck n ASN 97 Cb 0.35 0.16 -0.04 0.00 -0.61 0.00 0.00 39.78 39.64 1rck n ASN 97 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1rck n ASN 98 N -2.41 2.24 -4.76 6.41 3.02 -0.91 -4.96 115.26 113.90 1rck n ASN 98 Ca 0.00 -0.46 -0.39 0.00 -0.03 0.00 0.00 54.58 53.70 1rck n ASN 98 Cb 0.00 -1.55 -0.05 0.00 -0.61 0.00 0.00 39.78 37.56 1rck n ASN 98 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1rck s PHE 99 N 11.98 3.79 0.29 3.10 0.08 -1.26 -3.85 117.98 132.10 1rck s PHE 99 Ca 1.00 1.82 0.11 0.00 0.12 0.00 0.00 56.93 59.99 1rck s PHE 99 Cb -0.24 -3.07 -0.05 0.00 -0.57 0.00 0.00 43.02 39.10 1rck s PHE 99 CO 0.28 0.08 -0.18 0.14 -0.10 0.00 0.00 175.22 175.44 1rck s VAL 100 N -1.27 2.42 0.45 -0.44 -7.23 -0.87 -4.96 120.40 108.51 1rck s VAL 100 Ca 0.44 -2.37 -0.03 0.00 -1.81 0.00 0.00 61.98 58.21 1rck s VAL 100 Cb -0.26 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 1rck s VAL 100 CO 0.33 -0.37 0.72 -0.83 -0.31 0.00 0.00 175.10 174.64 1rck s GLY 101 N -3.52 1.46 0.27 2.32 0.00 -1.24 -0.91 107.32 105.70 1rck s GLY 101 Ca 0.30 -0.68 0.11 0.00 0.00 0.00 0.00 44.72 44.46 1rck s GLY 101 CO 0.15 -0.54 -0.15 0.00 0.00 0.00 0.00 173.10 172.57 1rck n SER 103 N -0.63 -5.34 0.00 0.00 2.88 -0.68 -2.43 113.62 107.42 1rck n SER 103 Ca -0.06 -0.83 0.00 0.00 -1.33 0.00 0.00 58.87 56.65 1rck n SER 103 Cb 0.59 -2.37 0.00 0.00 -0.75 0.00 0.00 64.21 61.69 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 -1.70 1.72 3.53 0.46 0.00 -1.26 -4.99 105.19 102.95 1rck n GLY 104 Ca -0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.47 4.22 0.00 2.61 2.01 -1.02 -5.14 115.64 114.85 1rck s THR 105 Ca 0.00 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.38 1rck s THR 105 Cb 0.00 -4.64 0.00 0.00 0.01 0.00 0.00 72.50 67.87 1rck s THR 105 CO 0.00 -1.29 0.00 0.59 -0.69 0.00 0.00 174.62 173.23