#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 1.06 -2.71 -1.46 0.00 -1.26 -4.22 120.51 111.93 1rck n ALA 3 Ca 0.00 0.43 -0.18 0.00 0.00 0.00 0.00 53.44 53.69 1rck n ALA 3 Cb 0.00 -2.29 -0.14 0.00 0.00 0.00 0.00 19.45 17.02 1rck n ALA 3 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1rck s THR 4 N 0.35 0.77 -0.22 0.00 -1.32 -0.47 -4.87 115.64 109.88 1rck s THR 4 Ca 0.73 -0.67 -0.01 0.00 -1.21 0.00 0.00 61.69 60.53 1rck s THR 4 Cb -0.68 -0.70 0.02 0.00 -1.51 0.00 0.00 72.50 69.63 1rck s THR 4 CO 0.45 0.04 -0.09 0.42 -2.21 0.00 0.00 174.62 173.22 1rck s THR 5 N -0.58 2.76 -1.03 5.08 -4.23 -1.26 -1.25 115.64 115.12 1rck s THR 5 Ca 0.01 -0.90 -0.06 0.00 -1.18 0.00 0.00 61.69 59.56 1rck s THR 5 Cb -0.06 -2.32 0.27 0.00 1.34 0.00 0.00 72.50 71.73 1rck s THR 5 CO 0.00 0.33 1.07 0.00 -0.54 0.00 0.00 174.62 175.48 1rck n GLY 7 N 2.29 1.61 0.42 0.00 0.00 -1.26 -3.29 105.19 104.97 1rck n GLY 7 Ca 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 3.70 0.00 -4.62 1.61 2.88 -1.26 -5.08 113.62 110.85 1rck n SER 8 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1rck n SER 8 Cb 0.00 0.06 -0.03 0.00 -0.75 0.00 0.00 64.21 63.49 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 -1.21 3.52 0.48 2.46 2.01 -1.21 -4.98 115.64 116.72 1rck s THR 9 Ca 0.00 0.57 -0.14 0.00 0.31 0.00 0.00 61.69 62.44 1rck s THR 9 Cb 0.00 -3.58 -0.07 0.00 0.01 0.00 0.00 72.50 68.86 1rck s THR 9 CO 0.00 -0.29 0.91 0.21 -0.69 0.00 0.00 174.62 174.76 1rck s ASN 10 N 5.15 6.55 -0.13 3.53 2.47 -1.26 -2.16 114.94 129.09 1rck s ASN 10 Ca 0.78 1.39 -0.12 0.00 0.42 0.00 0.00 52.86 55.33 1rck s ASN 10 Cb -0.26 -2.44 0.03 0.00 -1.45 0.00 0.00 41.25 37.14 1rck s ASN 10 CO 0.32 -0.54 0.35 -0.31 -3.72 0.00 0.00 177.10 173.20 1rck s TYR 11 N -2.58 -0.39 0.59 0.43 2.02 -0.38 -4.98 117.35 112.07 1rck s TYR 11 Ca 0.56 0.94 -0.10 0.00 -0.37 0.00 0.00 57.07 58.10 1rck s TYR 11 Cb -0.10 0.13 -0.04 0.00 -0.40 0.00 0.00 41.96 41.55 1rck s TYR 11 CO 0.33 -0.19 0.98 -1.12 -1.57 0.00 0.00 175.55 173.99 1rck s SER 12 N 0.19 6.21 0.62 2.29 0.01 -1.26 -1.36 113.70 120.39 1rck s SER 12 Ca -0.00 1.31 0.33 0.00 1.31 0.00 0.00 55.95 58.89 1rck s SER 12 Cb -0.02 -2.40 1.85 0.00 0.21 0.00 0.00 66.02 65.66 1rck s SER 12 CO 0.00 -0.83 2.15 0.00 0.41 0.00 0.00 173.24 174.98 1rck h ALA 13 N -0.22 1.52 0.01 1.44 0.00 -1.90 0.85 119.26 120.96 1rck h ALA 13 Ca -0.45 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.26 1rck h ALA 13 Cb 1.20 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1rck h ALA 13 CO 0.62 -0.20 -0.93 0.66 0.00 0.00 0.00 179.25 179.40 1rck h SER 14 N 0.00 0.10 -0.22 0.00 4.64 -1.91 -2.72 113.55 113.44 1rck h SER 14 Ca 0.04 -0.09 -0.19 0.00 -0.47 0.00 0.00 61.79 61.08 1rck h SER 14 Cb 0.35 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1rck h SER 14 CO -0.00 0.98 -0.59 1.56 -0.87 0.00 0.00 176.83 177.91 1rck h GLN 15 N 0.03 0.83 -0.32 4.77 7.50 -1.19 0.18 115.11 126.90 1rck h GLN 15 Ca -0.03 -0.55 -0.16 0.00 0.50 0.00 0.00 58.65 58.42 1rck h GLN 15 Cb 1.62 0.07 -0.01 0.00 0.05 0.00 0.00 27.48 29.22 1rck h GLN 15 CO 0.13 1.18 -0.42 0.28 -1.50 0.00 0.00 178.83 178.49 1rck h VAL 16 N 0.62 1.28 0.00 -0.54 2.07 -1.53 -2.77 116.25 115.39 1rck h VAL 16 Ca 0.00 -1.61 -0.06 0.00 0.82 0.00 0.00 66.70 65.86 1rck h VAL 16 Cb 1.19 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 1rck h VAL 16 CO 0.13 0.53 -0.28 -0.09 0.02 0.00 0.00 177.57 177.87 1rck h ARG 17 N 0.66 0.00 0.49 1.57 2.43 -1.41 0.06 114.38 118.18 1rck h ARG 17 Ca 0.05 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1rck h ARG 17 Cb 1.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1rck h ARG 17 CO 0.10 0.28 -0.24 0.00 -1.51 0.00 0.00 179.97 178.60 1rck h ALA 18 N 1.72 -0.66 0.00 2.80 0.00 -0.69 -0.74 119.26 121.70 1rck h ALA 18 Ca -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1rck h ALA 18 Cb 0.82 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1rck h ALA 18 CO 0.04 -0.66 -0.15 0.00 0.00 0.00 0.00 179.25 178.48 1rck h ALA 19 N -0.91 1.08 -0.05 0.00 0.00 -1.52 -1.82 119.26 116.04 1rck h ALA 19 Ca -0.07 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 1rck h ALA 19 Cb 0.57 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1rck h ALA 19 CO 0.11 0.19 -0.60 0.00 0.00 0.00 0.00 179.25 178.95 1rck h ALA 20 N 1.85 0.14 0.00 0.00 0.00 -0.94 0.12 119.26 120.43 1rck h ALA 20 Ca -0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1rck h ALA 20 Cb 0.58 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1rck h ALA 20 CO 0.02 0.40 -0.06 -0.97 0.00 0.00 0.00 179.25 178.64 1rck h ASN 21 N 0.05 0.00 0.08 0.00 -0.00 -1.04 -1.75 115.58 112.93 1rck h ASN 21 Ca -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.23 1rck h ASN 21 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.60 1rck h ASN 21 CO 0.12 0.06 -0.04 0.00 -0.00 0.00 0.00 177.43 177.57 1rck h ALA 22 N 1.94 -0.17 -0.74 1.57 0.00 -1.07 -2.86 119.26 117.94 1rck h ALA 22 Ca -0.00 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.01 1rck h ALA 22 Cb 0.39 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.10 1rck h ALA 22 CO 0.01 -0.16 -0.26 0.00 0.00 0.00 0.00 179.25 178.83 1rck n ALA 23 N -2.44 -0.02 0.12 0.00 0.00 0.39 -0.48 120.51 118.09 1rck n ALA 23 Ca -0.01 0.75 -0.13 0.00 0.00 0.00 0.00 53.44 54.05 1rck n ALA 23 Cb 0.04 -0.37 -0.06 0.00 0.00 0.00 0.00 19.45 19.07 1rck n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rck n GLN 25 N -5.33 0.12 -0.01 0.00 6.02 0.32 -3.67 117.38 114.83 1rck n GLN 25 Ca -0.07 0.25 0.06 0.00 -0.01 0.00 0.00 57.00 57.23 1rck n GLN 25 Cb 0.25 -1.68 -0.09 0.00 1.02 0.00 0.00 30.24 29.73 1rck n GLN 25 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1rck n TYR 26 N -1.90 0.00 -0.05 1.08 4.01 0.37 -2.56 117.16 118.10 1rck n TYR 26 Ca 0.04 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.77 1rck n TYR 26 Cb 0.27 -0.26 -0.01 0.00 -0.31 0.00 0.00 39.34 39.04 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 0.00 -0.96 -0.72 3.20 -0.69 -3.21 116.97 114.59 1rck h TYR 27 Ca 0.00 0.00 -0.35 0.00 3.14 0.00 0.00 58.73 61.52 1rck h TYR 27 Cb 0.53 0.00 -0.35 0.00 1.54 0.00 0.00 36.73 38.45 1rck h TYR 27 CO 0.00 0.07 -1.04 1.04 -1.64 0.00 0.00 178.16 176.59 1rck n GLN 28 N -4.75 1.12 0.04 1.82 6.02 -1.26 -4.38 117.38 116.00 1rck n GLN 28 Ca -0.01 -3.00 0.00 0.00 -0.01 0.00 0.00 57.00 53.98 1rck n GLN 28 Cb 0.05 -1.12 0.00 0.00 1.02 0.00 0.00 30.24 30.19 1rck n GLN 28 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1rck n ASN 29 N -0.08 0.05 -3.47 1.08 4.13 -1.26 -5.01 115.26 110.70 1rck n ASN 29 Ca 0.10 0.15 -0.28 0.00 1.68 0.00 0.00 54.58 56.22 1rck n ASN 29 Cb 0.80 0.08 -0.11 0.00 -1.54 0.00 0.00 39.78 39.01 1rck n ASN 29 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1rck s ASP 30 N -5.09 2.54 0.59 6.41 1.01 -1.06 -5.04 116.67 116.02 1rck s ASP 30 Ca 0.00 -2.58 0.00 0.00 0.71 0.00 0.00 52.55 50.68 1rck s ASP 30 Cb 0.00 -0.50 0.00 0.00 1.01 0.00 0.00 42.92 43.43 1rck s ASP 30 CO 0.00 -0.25 0.00 0.47 0.21 0.00 0.00 175.17 175.60 1rck n ASP 31 N 3.52 -3.16 -0.08 0.27 8.00 -1.26 -4.60 116.55 119.23 1rck n ASP 31 Ca 0.18 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.56 1rck n ASP 31 Cb 0.41 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.43 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 -0.93 0.94 -2.84 -3.53 -2.24 -1.21 -4.12 114.28 100.35 1rck n THR 32 Ca 0.00 -0.35 -0.02 0.00 -2.27 0.00 0.00 64.05 61.41 1rck n THR 32 Cb 0.00 -1.15 -0.02 0.00 -2.10 0.00 0.00 70.33 67.07 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 -3.06 -2.77 0.00 6.98 0.00 -1.26 -4.41 120.51 115.99 1rck n ALA 33 Ca -0.30 0.99 0.00 0.00 0.00 0.00 0.00 53.44 54.13 1rck n ALA 33 Cb 0.80 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 1.57 1.12 3.31 0.00 0.00 -1.26 -4.78 105.19 105.15 1rck n GLY 34 Ca -0.15 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 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 0.80 -6.76 -0.02 1.61 7.64 -0.64 -4.95 113.62 111.30 1rck n SER 35 Ca 0.00 -0.45 -0.06 0.00 1.01 0.00 0.00 58.87 59.37 1rck n SER 35 Cb 0.00 -4.33 -0.02 0.00 -1.01 0.00 0.00 64.21 58.85 1rck n SER 35 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1rck n SER 36 N -2.24 1.12 -0.00 6.43 2.88 -1.26 -4.83 113.62 115.72 1rck n SER 36 Ca -0.08 0.17 -0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1rck n SER 36 Cb 0.57 -0.40 -0.00 0.00 -0.75 0.00 0.00 64.21 63.62 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 -3.67 0.01 -3.77 2.46 -2.24 -1.26 -5.09 114.28 100.71 1rck n THR 37 Ca -0.10 -0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.56 1rck n THR 37 Cb 0.36 -0.92 -0.08 0.00 -2.10 0.00 0.00 70.33 67.59 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 -2.00 -0.07 -0.20 4.78 2.02 -1.26 -4.20 117.35 116.41 1rck s TYR 38 Ca -0.00 -0.06 -0.29 0.00 -0.37 0.00 0.00 57.07 56.34 1rck s TYR 38 Cb 0.00 0.07 -0.00 0.00 -0.40 0.00 0.00 41.96 41.63 1rck s TYR 38 CO 0.00 -0.48 1.18 -1.25 -1.57 0.00 0.00 175.55 173.43 1rck s PRO 39 N -2.47 4.23 0.18 -1.71 0.04 -1.26 -1.62 135.00 132.38 1rck s PRO 39 Ca -0.06 1.52 0.07 0.00 0.04 0.00 0.00 61.00 62.57 1rck s PRO 39 Cb -0.01 -3.72 -0.04 0.00 0.04 0.00 0.00 34.50 30.76 1rck s PRO 39 CO -0.03 -0.70 -0.14 -1.01 0.04 0.00 0.00 177.00 175.16 1rck s HIS 40 N 3.43 1.58 0.30 0.56 3.76 -1.26 -4.89 115.29 118.77 1rck s HIS 40 Ca 0.51 -0.60 -0.30 0.00 -0.15 0.00 0.00 55.06 54.52 1rck s HIS 40 Cb -0.19 -0.76 -0.12 0.00 1.11 0.00 0.00 32.58 32.62 1rck s HIS 40 CO 0.12 0.27 1.58 2.41 -0.85 0.00 0.00 174.74 178.27 1rck n THR 41 N -0.16 1.14 -3.14 1.30 -1.04 -1.26 -2.56 114.28 108.55 1rck n THR 41 Ca -0.10 -0.28 -0.20 0.00 -2.04 0.00 0.00 64.05 61.42 1rck n THR 41 Cb 0.60 -1.96 -0.03 0.00 -1.82 0.00 0.00 70.33 67.11 1rck n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1rck n TYR 42 N 1.94 0.94 -2.72 -1.42 9.36 -1.00 -4.88 117.16 119.38 1rck n TYR 42 Ca 0.08 -3.85 -0.08 0.00 3.32 0.00 0.00 57.90 57.37 1rck n TYR 42 Cb 0.37 -0.43 0.09 0.00 -0.63 0.00 0.00 39.34 38.74 1rck n TYR 42 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1rck n ASN 43 N 0.24 -2.16 0.16 2.98 6.94 -1.26 -4.82 115.26 117.33 1rck n ASN 43 Ca 0.26 -3.32 -0.07 0.00 -0.02 0.00 0.00 54.58 51.43 1rck n ASN 43 Cb 0.60 1.71 -0.03 0.00 -2.36 0.00 0.00 39.78 39.70 1rck n ASN 43 CO 0.00 0.00 0.00 -1.13 -1.03 0.00 0.00 177.26 175.10 1rck h ASN 44 N 2.74 -0.38 0.00 0.53 -1.24 -1.98 -3.48 115.58 111.76 1rck h ASN 44 Ca -0.16 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.87 1rck h ASN 44 Cb 1.14 0.10 0.00 0.00 0.73 0.00 0.00 38.32 40.29 1rck h ASN 44 CO 0.08 -0.07 0.00 0.00 -1.29 0.00 0.00 177.43 176.15 1rck n TYR 45 N -4.33 0.00 -3.52 0.67 9.36 -1.26 -5.14 117.16 112.94 1rck n TYR 45 Ca -0.06 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.16 1rck n TYR 45 Cb 0.18 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 38.84 1rck n TYR 45 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1rck s GLU 46 N 0.00 0.42 0.00 2.98 -6.30 -1.26 -5.08 118.70 109.46 1rck s GLU 46 Ca 0.00 0.99 0.00 0.00 -2.50 0.00 0.00 54.97 53.46 1rck s GLU 46 Cb 0.00 0.53 0.00 0.00 0.00 0.00 0.00 34.13 34.66 1rck s GLU 46 CO 0.00 -0.13 0.00 0.41 0.02 0.00 0.00 175.26 175.56 1rck n GLY 47 N 4.95 -0.16 3.99 -1.50 0.00 -1.26 -5.14 105.19 106.08 1rck n GLY 47 Ca -0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.64 2.56 0.05 1.61 5.36 -1.26 -5.14 117.98 120.52 1rck s PHE 48 Ca 0.00 -0.25 0.06 0.00 -0.96 0.00 0.00 56.93 55.78 1rck s PHE 48 Cb 0.00 -2.59 -0.02 0.00 -0.34 0.00 0.00 43.02 40.07 1rck s PHE 48 CO 0.00 -0.83 -0.16 0.16 -1.46 0.00 0.00 175.22 172.93 1rck s ASP 49 N -4.46 1.92 0.05 6.13 -4.77 -1.26 -5.15 116.67 109.13 1rck s ASP 49 Ca 0.58 -0.51 -0.18 0.00 -3.30 0.00 0.00 52.55 49.14 1rck s ASP 49 Cb -0.09 -0.13 0.04 0.00 -1.09 0.00 0.00 42.92 41.65 1rck s ASP 49 CO 0.37 0.05 0.41 -0.36 0.70 0.00 0.00 175.17 176.34 1rck s PHE 50 N -0.91 -0.26 0.37 2.11 0.08 -1.26 -5.06 117.98 113.06 1rck s PHE 50 Ca 0.03 0.19 0.08 0.00 0.12 0.00 0.00 56.93 57.35 1rck s PHE 50 Cb -0.08 0.22 0.74 0.00 -0.57 0.00 0.00 43.02 43.32 1rck s PHE 50 CO 0.02 -0.58 1.90 -1.00 -0.10 0.00 0.00 175.22 175.46 1rck h PRO 51 N 2.96 0.31 -7.41 0.24 0.13 -1.99 -3.44 132.00 122.80 1rck h PRO 51 Ca -0.31 -0.07 -0.49 0.00 -0.87 0.00 0.00 66.00 64.26 1rck h PRO 51 Cb 1.21 -0.04 0.11 0.00 0.13 0.00 0.00 31.00 32.41 1rck h PRO 51 CO 0.44 0.42 0.33 0.14 -0.23 0.00 0.00 178.00 179.10 1rck s VAL 52 N -4.77 3.02 -0.15 1.56 -7.23 -1.26 -5.04 120.40 106.52 1rck s VAL 52 Ca -0.06 0.33 -0.15 0.00 -1.81 0.00 0.00 61.98 60.29 1rck s VAL 52 Cb 0.15 -3.07 -0.05 0.00 0.56 0.00 0.00 36.38 33.98 1rck s VAL 52 CO 0.74 -0.43 -0.30 0.47 -0.31 0.00 0.00 175.10 175.27 1rck n ASP 53 N -3.46 1.67 0.00 4.85 9.92 -1.26 -5.13 116.55 123.14 1rck n ASP 53 Ca 0.07 0.28 0.00 0.00 -0.53 0.00 0.00 54.79 54.61 1rck n ASP 53 Cb 0.56 -0.70 0.00 0.00 -0.64 0.00 0.00 41.12 40.34 1rck n ASP 53 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1rck n GLY 54 N 1.51 0.86 3.77 0.44 0.00 -1.26 -4.70 105.19 105.80 1rck n GLY 54 Ca -0.12 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.58 4.15 -0.01 1.61 0.02 -1.26 -4.97 135.00 132.97 1rck s PRO 55 Ca 0.00 2.51 0.02 0.00 0.02 0.00 0.00 61.00 63.55 1rck s PRO 55 Cb 0.00 -3.01 -0.00 0.00 0.02 0.00 0.00 34.50 31.51 1rck s PRO 55 CO 0.00 -0.51 -0.06 1.52 -0.33 0.00 0.00 177.00 177.62 1rck s TYR 56 N -0.71 0.56 0.19 6.54 1.13 -1.26 -1.65 117.35 122.14 1rck s TYR 56 Ca 0.56 -0.11 0.08 0.00 -1.41 0.00 0.00 57.07 56.19 1rck s TYR 56 Cb -0.46 -0.38 -0.04 0.00 -1.10 0.00 0.00 41.96 39.98 1rck s TYR 56 CO 0.56 -0.03 -0.17 -0.65 -2.51 0.00 0.00 175.55 172.76 1rck s GLN 57 N -0.03 1.33 0.54 -3.49 -0.21 -0.27 -2.37 119.66 115.16 1rck s GLN 57 Ca 0.01 -1.52 -0.13 0.00 0.02 0.00 0.00 55.36 53.74 1rck s GLN 57 Cb -0.04 -1.27 -0.06 0.00 1.00 0.00 0.00 33.01 32.64 1rck s GLN 57 CO -0.00 0.24 0.96 -1.21 -2.12 0.00 0.00 175.29 173.16 1rck s GLU 58 N -3.24 3.75 -0.30 2.91 2.02 -1.06 -1.81 118.70 120.97 1rck s GLU 58 Ca 0.20 0.75 -0.05 0.00 0.02 0.00 0.00 54.97 55.89 1rck s GLU 58 Cb -0.03 -2.16 0.17 0.00 0.10 0.00 0.00 34.13 32.20 1rck s GLU 58 CO 0.07 -0.36 0.64 0.12 0.02 0.00 0.00 175.26 175.76 1rck s PHE 59 N -2.84 -1.46 0.28 1.61 5.36 -0.68 -4.25 117.98 116.00 1rck s PHE 59 Ca 0.55 1.85 -0.29 0.00 -0.96 0.00 0.00 56.93 58.08 1rck s PHE 59 Cb -0.10 0.62 -0.10 0.00 -0.34 0.00 0.00 43.02 43.10 1rck s PHE 59 CO 0.42 -0.78 1.22 -1.25 -1.46 0.00 0.00 175.22 173.37 1rck s PRO 60 N 2.87 4.48 0.00 10.12 0.04 -1.26 -1.58 135.00 149.66 1rck s PRO 60 Ca 0.11 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1rck s PRO 60 Cb -0.14 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1rck s PRO 60 CO -0.20 -0.05 0.00 1.51 0.04 0.00 0.00 177.00 178.31 1rck n ILE 61 N 1.39 0.00 -1.42 0.56 3.06 -1.07 -4.12 119.36 117.77 1rck n ILE 61 Ca 0.01 0.00 -0.03 0.00 -2.50 0.00 0.00 62.75 60.23 1rck n ILE 61 Cb 0.43 0.00 0.02 0.00 0.54 0.00 0.00 39.64 40.63 1rck n ILE 61 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1rck n LYS 62 N 0.00 0.04 -0.74 9.51 4.76 -1.26 -3.98 118.16 126.50 1rck n LYS 62 Ca 0.00 -0.24 0.00 0.00 -2.87 0.00 0.00 58.31 55.20 1rck n LYS 62 Cb 0.00 -0.13 0.00 0.00 -1.84 0.00 0.00 35.03 33.06 1rck n LYS 62 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1rck n SER 63 N -3.06 -0.84 0.00 4.39 2.88 -1.26 -4.69 113.62 111.03 1rck n SER 63 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1rck n SER 63 Cb 0.06 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 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 -0.53 3.69 0.00 0.46 0.00 -1.26 -4.29 105.19 103.26 1rck n GLY 64 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 1.62 3.63 -0.02 0.00 -1.26 -5.01 105.19 104.14 1rck n GLY 65 Ca 0.00 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.97 4.30 -0.51 1.61 1.01 -1.26 -4.08 120.40 119.49 1rck s VAL 66 Ca 0.00 1.45 -0.09 0.00 0.00 0.00 0.00 61.98 63.35 1rck s VAL 66 Cb 0.00 -4.35 0.01 0.00 0.00 0.00 0.00 36.38 32.04 1rck s VAL 66 CO 0.00 -0.59 0.59 0.00 0.00 0.00 0.00 175.10 175.10 1rck n TYR 67 N 7.40 -3.02 -3.67 5.22 9.36 -1.26 -5.07 117.16 126.12 1rck n TYR 67 Ca 0.13 1.19 -0.07 0.00 3.32 0.00 0.00 57.90 62.47 1rck n TYR 67 Cb 0.47 -3.90 0.02 0.00 -0.63 0.00 0.00 39.34 35.31 1rck n TYR 67 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 1rck n THR 68 N -0.90 0.00 0.00 2.97 5.66 -1.26 -5.19 114.28 115.57 1rck n THR 68 Ca 0.06 -0.82 0.00 0.00 -3.05 0.00 0.00 64.05 60.24 1rck n THR 68 Cb 0.45 0.83 0.00 0.00 -1.55 0.00 0.00 70.33 70.06 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 -0.46 -0.32 3.40 1.09 0.00 -1.26 -4.63 105.19 103.01 1rck n GLY 69 Ca -0.07 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1rck n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rck n GLY 70 N 3.54 1.92 2.43 -0.02 0.00 -1.26 -4.53 105.19 107.27 1rck n GLY 70 Ca 0.00 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 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 3.21 -0.08 -0.29 1.61 2.88 -1.26 -5.06 113.62 114.63 1rck n SER 71 Ca 0.00 -2.48 -0.01 0.00 -1.33 0.00 0.00 58.87 55.05 1rck n SER 71 Cb 0.00 -0.58 0.02 0.00 -0.75 0.00 0.00 64.21 62.91 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 2.67 -0.19 -3.14 -1.46 -0.02 -1.26 -4.41 135.00 127.19 1rck n PRO 72 Ca 0.29 1.16 0.04 0.00 -2.02 0.00 0.00 63.50 62.97 1rck n PRO 72 Cb 0.47 -1.72 -0.00 0.00 -0.02 0.00 0.00 33.50 32.23 1rck n PRO 72 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1rck s GLY 73 N -3.47 -1.16 0.00 -1.23 0.00 -1.26 -4.98 107.32 95.22 1rck s GLY 73 Ca -0.10 1.40 0.00 0.00 0.00 0.00 0.00 44.72 46.01 1rck s GLY 73 CO 0.53 3.85 0.00 0.00 0.00 0.00 0.00 173.10 177.49 1rck n ALA 74 N 5.22 0.57 -1.60 3.20 0.00 -1.26 -4.79 120.51 121.85 1rck n ALA 74 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.08 1rck n ALA 74 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 1rck n ALA 74 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1rck n ASP 75 N -1.52 3.26 -3.75 0.00 9.92 -1.26 -2.49 116.55 120.70 1rck n ASP 75 Ca 0.00 0.24 -0.23 0.00 -0.53 0.00 0.00 54.79 54.27 1rck n ASP 75 Cb 0.00 -1.54 -0.18 0.00 -0.64 0.00 0.00 41.12 38.76 1rck n ASP 75 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1rck s ARG 76 N 6.28 0.49 0.30 -1.24 3.52 -0.45 -2.60 118.95 125.25 1rck s ARG 76 Ca 1.01 0.14 -0.10 0.00 -0.13 0.00 0.00 55.73 56.65 1rck s ARG 76 Cb -0.36 -0.93 -0.07 0.00 -1.56 0.00 0.00 34.95 32.03 1rck s ARG 76 CO 0.36 -0.32 0.63 0.14 -0.81 0.00 0.00 175.30 175.30 1rck s VAL 77 N 2.00 4.87 0.00 7.11 -7.23 -0.62 -2.05 120.40 124.49 1rck s VAL 77 Ca 0.05 0.51 0.01 0.00 -1.81 0.00 0.00 61.98 60.74 1rck s VAL 77 Cb -0.12 -3.66 -0.01 0.00 0.56 0.00 0.00 36.38 33.15 1rck s VAL 77 CO -0.05 -0.24 -0.03 -0.69 -0.31 0.00 0.00 175.10 173.77 1rck s VAL 78 N -2.02 0.25 0.39 1.32 1.01 -0.47 -1.69 120.40 119.18 1rck s VAL 78 Ca 0.49 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 62.24 1rck s VAL 78 Cb -0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 1rck s VAL 78 CO 0.24 -0.02 0.21 0.27 0.00 0.00 0.00 175.10 175.80 1rck s ILE 79 N -0.31 0.28 0.49 2.22 -4.36 -0.75 -1.03 121.20 117.74 1rck s ILE 79 Ca -0.01 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.42 1rck s ILE 79 Cb -0.03 -2.38 0.02 0.00 1.25 0.00 0.00 42.46 41.33 1rck s ILE 79 CO -0.00 0.00 0.68 0.20 0.24 0.00 0.00 174.94 176.06 1rck s ASN 80 N -3.52 5.46 0.00 4.36 0.01 0.48 -1.12 114.94 120.62 1rck s ASN 80 Ca 0.30 -0.19 0.00 0.00 -0.71 0.00 0.00 52.86 52.26 1rck s ASN 80 Cb 0.02 -0.79 0.00 0.00 0.41 0.00 0.00 41.25 40.89 1rck s ASN 80 CO 0.21 -0.96 0.75 1.07 -1.51 0.00 0.00 177.10 176.66 1rck n THR 81 N -2.11 0.67 0.00 1.60 5.66 -0.66 -3.92 114.28 115.52 1rck n THR 81 Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 1rck n THR 81 Cb 0.59 -0.82 0.00 0.00 -1.55 0.00 0.00 70.33 68.56 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 0.49 0.00 0.00 1.09 4.13 -1.26 -5.02 115.26 114.69 1rck n ASN 82 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1rck n ASN 82 Cb 0.37 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.61 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 4.46 0.79 0.00 2.12 -1.26 -4.81 118.70 120.00 1rck s GLU 84 Ca 0.00 1.32 -0.13 0.00 0.36 0.00 0.00 54.97 56.53 1rck s GLU 84 Cb 0.00 -2.66 0.07 0.00 0.26 0.00 0.00 34.13 31.81 1rck s GLU 84 CO 0.00 0.16 1.16 0.71 -0.54 0.00 0.00 175.26 176.75 1rck s TYR 85 N -1.72 2.04 -0.08 5.30 1.51 -1.26 -0.39 117.35 122.75 1rck s TYR 85 Ca 0.53 1.66 -0.02 0.00 -1.01 0.00 0.00 57.07 58.23 1rck s TYR 85 Cb -0.17 -3.33 -0.05 0.00 -0.11 0.00 0.00 41.96 38.30 1rck s TYR 85 CO 0.22 -2.46 -0.09 0.00 -1.11 0.00 0.00 175.55 172.11 1rck n ALA 86 N -3.34 2.11 0.00 3.71 0.00 -0.20 -4.60 120.51 118.19 1rck n ALA 86 Ca 0.12 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1rck n ALA 86 Cb 0.51 0.35 0.00 0.00 0.00 0.00 0.00 19.45 20.31 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 2.82 0.45 3.04 0.00 0.00 -0.93 -4.62 105.19 105.96 1rck n GLY 87 Ca -0.15 -1.38 -0.11 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.17 0.19 4.61 0.00 -1.26 -1.37 121.76 122.76 1rck s ALA 88 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 51.96 51.69 1rck s ALA 88 Cb 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 1rck s ALA 88 CO 0.00 -0.16 0.30 0.96 0.00 0.00 0.00 175.76 176.86 1rck s ILE 89 N -1.09 0.04 -0.09 0.00 -4.36 -0.87 -2.42 121.20 112.41 1rck s ILE 89 Ca -0.12 -1.53 -0.28 0.00 -0.26 0.00 0.00 60.65 58.46 1rck s ILE 89 Cb -0.07 -2.07 0.07 0.00 1.25 0.00 0.00 42.46 41.64 1rck s ILE 89 CO 0.00 -0.17 0.65 0.28 0.24 0.00 0.00 174.94 175.94 1rck s THR 90 N -4.02 0.00 -0.11 8.37 -1.32 -0.52 -1.34 115.64 116.70 1rck s THR 90 Ca 0.23 -0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 1rck s THR 90 Cb 0.03 -0.96 0.10 0.00 -1.51 0.00 0.00 72.50 70.16 1rck s THR 90 CO 0.05 -0.02 1.68 1.41 -2.21 0.00 0.00 174.62 175.52 1rck n HIS 91 N 1.28 0.58 -0.12 9.09 8.25 -1.04 -2.25 115.22 131.01 1rck n HIS 91 Ca -0.18 -1.13 0.05 0.00 -0.26 0.00 0.00 57.72 56.20 1rck n HIS 91 Cb 0.57 -0.56 0.37 0.00 1.12 0.00 0.00 29.99 31.49 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 0.68 1.07 0.00 1.59 1.03 -1.89 -3.39 112.91 112.00 1rck h THR 92 Ca 0.11 -0.24 -0.13 0.00 -0.01 0.00 0.00 66.41 66.14 1rck h THR 92 Cb 1.11 0.30 -0.12 0.00 -1.07 0.00 0.00 68.15 68.38 1rck h THR 92 CO 0.26 0.13 -0.04 0.61 -0.01 0.00 0.00 175.52 176.47 1rck n GLY 93 N -1.46 -1.04 0.00 2.99 0.00 -1.26 -5.06 105.19 99.36 1rck n GLY 93 Ca 0.08 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.78 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 0.49 0.00 0.08 4.61 0.00 -1.26 -4.98 120.51 119.46 1rck n ALA 94 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1rck n ALA 94 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.19 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 -2.32 -1.50 0.00 0.00 2.88 -1.26 -4.98 113.62 106.44 1rck n SER 95 Ca 0.00 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1rck n SER 95 Cb 0.00 1.64 0.00 0.00 -0.75 0.00 0.00 64.21 65.10 1rck n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rck n GLY 96 N -1.31 -1.20 0.18 0.46 0.00 -1.26 -4.94 105.19 97.12 1rck n GLY 96 Ca 0.00 0.50 0.12 0.00 0.00 0.00 0.00 46.02 46.65 1rck n GLY 96 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1rck h ASN 97 N 0.00 0.00 -3.62 1.61 4.21 -1.99 -3.47 115.58 112.33 1rck h ASN 97 Ca 0.00 0.00 -0.45 0.00 1.21 0.00 0.00 56.30 57.06 1rck h ASN 97 Cb 0.00 0.00 0.19 0.00 -1.12 0.00 0.00 38.32 37.39 1rck h ASN 97 CO 0.00 0.00 0.11 0.20 -1.29 0.00 0.00 177.43 176.45 1rck s ASN 98 N -5.64 1.90 0.24 5.81 0.01 -1.26 -5.03 114.94 110.97 1rck s ASN 98 Ca 0.08 1.44 0.01 0.00 -0.71 0.00 0.00 52.86 53.68 1rck s ASN 98 Cb 0.07 -2.15 -0.05 0.00 0.41 0.00 0.00 41.25 39.54 1rck s ASN 98 CO 0.64 -3.62 0.10 -0.36 -1.51 0.00 0.00 177.10 172.36 1rck s PHE 99 N -2.70 1.40 0.13 2.20 0.08 -1.26 -4.52 117.98 113.31 1rck s PHE 99 Ca 0.67 -1.24 -0.02 0.00 0.12 0.00 0.00 56.93 56.45 1rck s PHE 99 Cb -0.22 -0.78 -0.03 0.00 -0.57 0.00 0.00 43.02 41.42 1rck s PHE 99 CO 0.61 -0.43 0.09 0.14 -0.10 0.00 0.00 175.22 175.53 1rck s VAL 100 N -3.88 0.11 0.31 -0.44 -7.23 -0.95 -4.83 120.40 103.48 1rck s VAL 100 Ca 0.38 -1.80 -0.27 0.00 -1.81 0.00 0.00 61.98 58.47 1rck s VAL 100 Cb 0.08 -1.96 -0.09 0.00 0.56 0.00 0.00 36.38 34.96 1rck s VAL 100 CO 0.13 -0.48 1.01 -0.83 -0.31 0.00 0.00 175.10 174.61 1rck s GLY 101 N -3.02 2.93 0.42 2.32 0.00 -1.26 -1.44 107.32 107.25 1rck s GLY 101 Ca 0.21 0.68 0.08 0.00 0.00 0.00 0.00 44.72 45.69 1rck s GLY 101 CO 0.00 1.19 0.31 0.00 0.00 0.00 0.00 173.10 174.60 1rck n SER 103 N -1.44 -2.23 0.00 0.00 2.88 -0.86 -2.52 113.62 109.45 1rck n SER 103 Ca 0.02 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.62 1rck n SER 103 Cb 0.63 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.36 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 0.00 -0.89 3.77 0.46 0.00 -1.26 -4.75 105.19 102.52 1rck n GLY 104 Ca 0.00 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.93 4.11 0.00 2.61 2.01 -1.05 -5.17 115.64 115.22 1rck s THR 105 Ca 0.07 1.83 0.00 0.00 0.31 0.00 0.00 61.69 63.90 1rck s THR 105 Cb 0.08 -4.05 0.00 0.00 0.01 0.00 0.00 72.50 68.54 1rck s THR 105 CO 0.22 0.21 0.00 -0.46 -0.69 0.00 0.00 174.62 173.90