#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 -3.24 -2.69 -0.43 0.00 -1.26 -4.37 120.51 108.52 1rck n ALA 3 Ca 0.00 0.67 -0.42 0.00 0.00 0.00 0.00 53.44 53.69 1rck n ALA 3 Cb 0.00 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.01 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 -1.38 4.15 -0.65 0.00 -4.23 -0.57 -4.48 115.64 108.48 1rck s THR 4 Ca -0.04 -0.77 -0.15 0.00 -1.18 0.00 0.00 61.69 59.55 1rck s THR 4 Cb 0.00 -4.92 0.16 0.00 1.34 0.00 0.00 72.50 69.08 1rck s THR 4 CO 0.66 -1.76 0.61 -0.89 -0.54 0.00 0.00 174.62 172.70 1rck s THR 5 N 4.37 5.34 -1.27 3.99 2.01 -1.26 -1.61 115.64 127.21 1rck s THR 5 Ca 0.38 -1.84 -0.11 0.00 0.31 0.00 0.00 61.69 60.43 1rck s THR 5 Cb -0.04 -4.40 0.16 0.00 0.01 0.00 0.00 72.50 68.23 1rck s THR 5 CO -0.04 -0.94 1.76 0.00 -0.69 0.00 0.00 174.62 174.70 1rck n GLY 7 N 3.23 1.75 0.13 0.00 0.00 -1.26 -2.71 105.19 106.33 1rck n GLY 7 Ca 0.39 0.06 -0.21 0.00 0.00 0.00 0.00 46.02 46.26 1rck n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rck n SER 8 N 6.96 2.02 -4.76 1.61 3.41 -1.26 -4.93 113.62 116.67 1rck n SER 8 Ca 0.00 0.10 -0.41 0.00 -0.26 0.00 0.00 58.87 58.29 1rck n SER 8 Cb 0.00 -0.68 -0.01 0.00 -0.26 0.00 0.00 64.21 63.26 1rck n SER 8 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1rck s THR 9 N -2.52 2.14 -0.03 6.66 2.01 -1.10 -5.01 115.64 117.79 1rck s THR 9 Ca -0.30 0.13 -0.01 0.00 0.31 0.00 0.00 61.69 61.81 1rck s THR 9 Cb 0.09 -3.08 0.03 0.00 0.01 0.00 0.00 72.50 69.55 1rck s THR 9 CO 0.65 0.02 0.05 0.54 -0.69 0.00 0.00 174.62 175.19 1rck s ASN 10 N 0.18 0.41 -0.03 3.53 2.20 -1.26 -0.54 114.94 119.42 1rck s ASN 10 Ca 0.58 0.07 0.04 0.00 -0.94 0.00 0.00 52.86 52.60 1rck s ASN 10 Cb -0.46 -0.08 -0.00 0.00 -2.00 0.00 0.00 41.25 38.71 1rck s ASN 10 CO 0.54 -0.17 -0.14 -0.31 -2.94 0.00 0.00 177.10 174.08 1rck s TYR 11 N 1.44 1.35 0.89 1.54 2.02 -0.64 -5.00 117.35 118.96 1rck s TYR 11 Ca -0.04 -0.34 -0.11 0.00 -0.37 0.00 0.00 57.07 56.21 1rck s TYR 11 Cb -0.13 -0.91 0.13 0.00 -0.40 0.00 0.00 41.96 40.65 1rck s TYR 11 CO -0.03 -0.10 1.11 -1.54 -1.57 0.00 0.00 175.55 173.42 1rck s SER 12 N -0.02 3.30 0.45 2.29 1.04 -1.26 -1.51 113.70 117.99 1rck s SER 12 Ca -0.01 1.92 0.30 0.00 0.48 0.00 0.00 55.95 58.64 1rck s SER 12 Cb -0.09 -2.47 1.65 0.00 0.10 0.00 0.00 66.02 65.21 1rck s SER 12 CO 0.01 -2.81 1.93 0.00 0.98 0.00 0.00 173.24 173.35 1rck h ALA 13 N -1.67 1.00 0.11 5.32 0.00 -1.92 -0.30 119.26 121.81 1rck h ALA 13 Ca -0.46 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.18 1rck h ALA 13 Cb 1.26 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.07 1rck h ALA 13 CO 0.47 0.00 -1.19 1.03 0.00 0.00 0.00 179.25 179.56 1rck h SER 14 N 0.00 0.63 -0.58 0.00 0.87 -1.98 -2.73 113.55 109.77 1rck h SER 14 Ca 0.00 -0.60 -0.11 0.00 -1.23 0.00 0.00 61.79 59.85 1rck h SER 14 Cb 0.01 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 1rck h SER 14 CO 0.00 1.44 -0.05 1.56 -0.53 0.00 0.00 176.83 179.25 1rck h GLN 15 N 0.18 1.06 0.07 2.24 1.08 -1.38 0.55 115.11 118.92 1rck h GLN 15 Ca -0.15 -0.36 -0.00 0.00 -1.45 0.00 0.00 58.65 56.68 1rck h GLN 15 Cb 1.88 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 29.22 1rck h GLN 15 CO 0.21 1.06 -0.03 0.28 -0.95 0.00 0.00 178.83 179.40 1rck h VAL 16 N 0.96 0.94 0.00 -0.54 2.07 -1.55 -2.27 116.25 115.86 1rck h VAL 16 Ca 0.16 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 1rck h VAL 16 Cb 0.62 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1rck h VAL 16 CO 0.04 0.01 -0.08 -0.09 0.02 0.00 0.00 177.57 177.47 1rck h ARG 17 N -0.10 0.00 0.42 1.57 2.43 -1.28 -0.52 114.38 116.90 1rck h ARG 17 Ca -0.01 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1rck h ARG 17 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1rck h ARG 17 CO 0.02 0.08 -0.20 0.00 -1.51 0.00 0.00 179.97 178.35 1rck h ALA 18 N 1.92 -0.62 0.00 2.80 0.00 -0.30 0.74 119.26 123.80 1rck h ALA 18 Ca -0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1rck h ALA 18 Cb 0.31 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1rck h ALA 18 CO 0.01 -0.58 -0.17 0.00 0.00 0.00 0.00 179.25 178.51 1rck h ALA 19 N -1.26 1.21 0.22 0.00 0.00 -1.47 -1.93 119.26 116.03 1rck h ALA 19 Ca -0.06 -0.15 -0.32 0.00 0.00 0.00 0.00 54.91 54.38 1rck h ALA 19 Cb 0.44 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.23 1rck h ALA 19 CO 0.10 0.21 -1.43 0.00 0.00 0.00 0.00 179.25 178.13 1rck h ALA 20 N 1.83 -0.09 0.00 0.00 0.00 -1.12 -0.97 119.26 118.92 1rck h ALA 20 Ca -0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 54.91 54.01 1rck h ALA 20 Cb 0.47 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1rck h ALA 20 CO 0.02 0.78 -0.12 -0.97 0.00 0.00 0.00 179.25 178.96 1rck h ASN 21 N 0.13 0.00 0.09 0.00 -1.24 -0.70 0.57 115.58 114.43 1rck h ASN 21 Ca -0.23 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.78 1rck h ASN 21 Cb 2.12 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.17 1rck h ASN 21 CO 0.26 0.12 -0.04 0.00 -1.29 0.00 0.00 177.43 176.47 1rck h ALA 22 N 1.88 -0.22 -0.90 1.57 0.00 -1.29 -2.83 119.26 117.47 1rck h ALA 22 Ca -0.00 -0.03 0.25 0.00 0.00 0.00 0.00 54.91 55.13 1rck h ALA 22 Cb 0.57 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.26 1rck h ALA 22 CO 0.02 -0.21 0.30 0.00 0.00 0.00 0.00 179.25 179.35 1rck h ALA 23 N -1.55 1.40 -0.15 0.00 0.00 -1.17 0.10 119.26 117.89 1rck h ALA 23 Ca -0.01 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1rck h ALA 23 Cb 0.09 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1rck h ALA 23 CO 0.02 -0.48 0.08 0.00 0.00 0.00 0.00 179.25 178.87 1rck h GLN 25 N 0.13 0.00 0.00 0.00 4.15 -1.03 -3.40 115.11 114.96 1rck h GLN 25 Ca 0.05 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.35 1rck h GLN 25 Cb 0.08 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1rck h GLN 25 CO -0.01 0.43 -1.50 0.66 -1.93 0.00 0.00 178.83 176.48 1rck n TYR 26 N -3.20 0.00 1.22 3.99 4.01 0.26 -4.65 117.16 118.79 1rck n TYR 26 Ca 0.02 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.87 1rck n TYR 26 Cb 0.71 -0.35 0.61 0.00 -0.31 0.00 0.00 39.34 40.00 1rck n TYR 26 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 1rck n TYR 27 N -2.21 0.00 -0.07 -0.72 4.11 0.35 -3.71 117.16 114.91 1rck n TYR 27 Ca -0.11 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.67 1rck n TYR 27 Cb 0.68 -0.15 -0.05 0.00 -0.00 0.00 0.00 39.34 39.81 1rck n TYR 27 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.86 178.82 1rck h GLN 28 N 0.00 0.36 0.00 -3.48 4.20 -1.78 -3.46 115.11 110.95 1rck h GLN 28 Ca 0.00 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1rck h GLN 28 Cb 0.11 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1rck h GLN 28 CO 0.00 0.58 0.00 -1.71 -0.67 0.00 0.00 178.83 177.03 1rck n ASN 29 N -4.67 0.00 -3.15 1.46 2.85 -1.25 -5.12 115.26 105.39 1rck n ASN 29 Ca -0.05 0.00 0.05 0.00 -0.11 0.00 0.00 54.58 54.47 1rck n ASN 29 Cb 0.25 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.27 1rck n ASN 29 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1rck s ASP 30 N 1.00 -0.75 0.00 1.20 2.15 -1.26 -5.12 116.67 113.90 1rck s ASP 30 Ca 0.00 0.14 0.00 0.00 0.43 0.00 0.00 52.55 53.12 1rck s ASP 30 Cb 0.00 1.50 0.00 0.00 -0.30 0.00 0.00 42.92 44.12 1rck s ASP 30 CO 0.00 -0.14 0.00 0.47 -0.17 0.00 0.00 175.17 175.33 1rck n ASP 31 N 5.24 0.00 -4.57 -0.34 8.00 -1.24 -5.08 116.55 118.56 1rck n ASP 31 Ca 0.06 -0.94 -0.29 0.00 0.71 0.00 0.00 54.79 54.33 1rck n ASP 31 Cb 0.56 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.61 1rck n ASP 31 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1rck s THR 32 N -2.00 3.57 0.00 -3.53 -4.23 -1.26 -4.71 115.64 103.47 1rck s THR 32 Ca 0.00 -0.75 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 1rck s THR 32 Cb 0.00 -4.41 0.00 0.00 1.34 0.00 0.00 72.50 69.43 1rck s THR 32 CO 0.00 -1.10 0.00 0.00 -0.54 0.00 0.00 174.62 172.98 1rck n ALA 33 N 13.48 0.00 0.00 3.99 0.00 -1.26 -4.93 120.51 131.79 1rck n ALA 33 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1rck n ALA 33 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.90 -0.40 0.00 0.00 0.00 -1.26 -4.76 105.19 96.87 1rck n GLY 34 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1rck n GLY 34 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rck n SER 35 N 0.00 0.00 0.12 1.61 2.88 -1.18 -4.68 113.62 112.38 1rck n SER 35 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1rck n SER 35 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1rck n SER 35 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1rck n SER 36 N 0.00 -2.24 -0.00 -3.46 3.41 -1.26 -4.97 113.62 105.09 1rck n SER 36 Ca 0.00 0.48 -0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1rck n SER 36 Cb 0.00 2.32 -0.00 0.00 -0.26 0.00 0.00 64.21 66.27 1rck n SER 36 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1rck h THR 37 N 0.00 0.00 -3.92 6.66 1.35 -2.03 -3.46 112.91 111.51 1rck h THR 37 Ca 0.00 -0.08 -0.53 0.00 -0.55 0.00 0.00 66.41 65.25 1rck h THR 37 Cb 0.00 0.00 0.08 0.00 -1.73 0.00 0.00 68.15 66.50 1rck h THR 37 CO 0.00 0.00 0.65 -0.31 -0.25 0.00 0.00 175.52 175.61 1rck s TYR 38 N -1.05 2.87 0.16 4.73 2.02 -1.26 -4.21 117.35 120.61 1rck s TYR 38 Ca -0.00 1.37 -0.30 0.00 -0.37 0.00 0.00 57.07 57.76 1rck s TYR 38 Cb 0.00 -3.74 -0.08 0.00 -0.40 0.00 0.00 41.96 37.74 1rck s TYR 38 CO 0.00 -2.16 1.27 -1.25 -1.57 0.00 0.00 175.55 171.84 1rck s PRO 39 N -2.03 4.42 -0.02 -1.71 0.04 -1.26 -3.11 135.00 131.33 1rck s PRO 39 Ca 0.53 1.96 0.03 0.00 0.04 0.00 0.00 61.00 63.55 1rck s PRO 39 Cb -0.40 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 30.90 1rck s PRO 39 CO 0.53 -0.23 -0.09 -1.01 0.04 0.00 0.00 177.00 176.24 1rck s HIS 40 N 0.34 0.91 -0.05 0.56 3.76 -1.26 -4.95 115.29 114.60 1rck s HIS 40 Ca 0.57 -0.21 -0.37 0.00 -0.15 0.00 0.00 55.06 54.90 1rck s HIS 40 Cb -0.34 -0.63 -0.16 0.00 1.11 0.00 0.00 32.58 32.56 1rck s HIS 40 CO 0.35 -0.08 1.56 2.41 -0.85 0.00 0.00 174.74 178.13 1rck n THR 41 N 3.17 0.16 -1.78 1.30 -1.04 -1.26 -2.54 114.28 112.28 1rck n THR 41 Ca -0.17 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.39 1rck n THR 41 Cb 0.55 -1.14 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 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 4.00 3.61 -3.57 -1.42 9.36 -0.32 -4.83 117.16 123.99 1rck n TYR 42 Ca 0.21 -2.97 -0.14 0.00 3.32 0.00 0.00 57.90 58.33 1rck n TYR 42 Cb 0.19 -2.56 -0.06 0.00 -0.63 0.00 0.00 39.34 36.28 1rck n TYR 42 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1rck s ASN 43 N 3.26 -0.53 0.00 2.98 3.84 -1.26 -4.83 114.94 118.39 1rck s ASN 43 Ca 0.47 0.70 0.00 0.00 0.21 0.00 0.00 52.86 54.25 1rck s ASN 43 Cb 0.13 0.60 0.00 0.00 -0.55 0.00 0.00 41.25 41.43 1rck s ASN 43 CO -0.08 -0.41 0.00 -3.20 -2.79 0.00 0.00 177.10 170.62 1rck n ASN 44 N 1.21 0.00 0.00 -4.21 4.05 -1.26 -5.03 115.26 110.02 1rck n ASN 44 Ca -0.14 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.89 1rck n ASN 44 Cb 0.57 0.32 0.00 0.00 1.23 0.00 0.00 39.78 41.90 1rck n ASN 44 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1rck n TYR 45 N -1.98 -0.11 -4.44 1.20 4.01 -1.26 -5.13 117.16 109.45 1rck n TYR 45 Ca 0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.50 1rck n TYR 45 Cb 0.00 0.03 -0.09 0.00 -0.31 0.00 0.00 39.34 38.97 1rck n TYR 45 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1rck s GLU 46 N -1.07 1.87 0.00 -0.72 0.41 -1.26 -5.15 118.70 112.78 1rck s GLU 46 Ca 0.00 -1.75 0.00 0.00 -0.41 0.00 0.00 54.97 52.81 1rck s GLU 46 Cb 0.00 -1.84 0.00 0.00 -1.78 0.00 0.00 34.13 30.51 1rck s GLU 46 CO 0.00 0.26 0.00 0.41 -0.49 0.00 0.00 175.26 175.44 1rck n GLY 47 N -0.76 1.39 3.80 -1.39 0.00 -1.26 -4.81 105.19 102.17 1rck n GLY 47 Ca -0.05 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 1rck n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rck s PHE 48 N -2.00 2.95 -0.26 1.61 0.08 -1.26 -5.02 117.98 114.08 1rck s PHE 48 Ca 0.00 1.49 -0.21 0.00 0.12 0.00 0.00 56.93 58.33 1rck s PHE 48 Cb 0.00 -2.99 -0.01 0.00 -0.57 0.00 0.00 43.02 39.45 1rck s PHE 48 CO 0.00 -1.27 0.68 -0.51 -0.10 0.00 0.00 175.22 174.02 1rck s ASP 49 N -3.12 6.63 -0.30 1.36 1.01 -1.26 -5.02 116.67 115.97 1rck s ASP 49 Ca 0.62 0.74 -0.00 0.00 0.71 0.00 0.00 52.55 54.62 1rck s ASP 49 Cb -0.16 -2.36 0.10 0.00 1.01 0.00 0.00 42.92 41.50 1rck s ASP 49 CO 0.44 -0.43 0.08 -0.36 0.21 0.00 0.00 175.17 175.12 1rck s PHE 50 N 2.62 1.88 -1.17 4.23 0.08 -1.26 -4.93 117.98 119.43 1rck s PHE 50 Ca 0.28 -1.80 -0.20 0.00 0.12 0.00 0.00 56.93 55.34 1rck s PHE 50 Cb -0.15 -1.78 -0.04 0.00 -0.57 0.00 0.00 43.02 40.48 1rck s PHE 50 CO 0.09 -0.86 1.93 -0.35 -0.10 0.00 0.00 175.22 175.93 1rck n PRO 51 N 4.80 2.24 0.00 0.24 -0.04 -1.26 -3.74 135.00 137.24 1rck n PRO 51 Ca -0.02 -2.57 0.00 0.00 -0.04 0.00 0.00 63.50 60.87 1rck n PRO 51 Cb 0.42 -3.39 0.00 0.00 -0.04 0.00 0.00 33.50 30.49 1rck n PRO 51 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1rck n VAL 52 N 6.50 0.00 -1.03 0.52 0.31 -1.26 -5.14 118.33 118.23 1rck n VAL 52 Ca 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.81 1rck n VAL 52 Cb 0.44 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 1rck n VAL 52 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1rck n ASP 53 N -1.36 -1.94 -1.05 4.52 8.00 -1.25 -5.11 116.55 118.36 1rck n ASP 53 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1rck n ASP 53 Cb 0.00 -0.97 0.00 0.00 -0.02 0.00 0.00 41.12 40.13 1rck n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rck n GLY 54 N 0.08 -0.46 3.77 0.44 0.00 -1.26 -4.93 105.19 102.83 1rck n GLY 54 Ca 0.00 -1.23 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 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 0.00 4.31 0.31 1.61 0.04 -1.26 -4.91 135.00 135.11 1rck s PRO 55 Ca 0.00 2.27 0.07 0.00 0.04 0.00 0.00 61.00 63.38 1rck s PRO 55 Cb 0.00 -3.07 -0.03 0.00 0.04 0.00 0.00 34.50 31.44 1rck s PRO 55 CO 0.00 -0.27 0.26 0.71 0.04 0.00 0.00 177.00 177.74 1rck s TYR 56 N -0.92 2.95 0.04 0.56 1.51 -1.26 -3.30 117.35 116.92 1rck s TYR 56 Ca 0.51 -0.26 -0.00 0.00 -1.01 0.00 0.00 57.07 56.31 1rck s TYR 56 Cb -0.41 -1.68 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 1rck s TYR 56 CO 0.52 0.28 -0.03 -0.65 -1.11 0.00 0.00 175.55 174.56 1rck s GLN 57 N -3.95 0.51 0.57 -0.62 -0.21 -0.99 -1.17 119.66 113.80 1rck s GLN 57 Ca 0.39 -1.00 -0.14 0.00 0.02 0.00 0.00 55.36 54.63 1rck s GLN 57 Cb -0.06 0.15 -0.06 0.00 1.00 0.00 0.00 33.01 34.04 1rck s GLN 57 CO 0.26 -0.08 1.01 -1.21 -2.12 0.00 0.00 175.29 173.15 1rck s GLU 58 N -3.00 3.73 -0.42 2.91 2.02 -1.05 -2.64 118.70 120.25 1rck s GLU 58 Ca -0.01 0.87 0.08 0.00 0.02 0.00 0.00 54.97 55.92 1rck s GLU 58 Cb 0.01 -2.10 0.18 0.00 0.10 0.00 0.00 34.13 32.32 1rck s GLU 58 CO -0.06 -0.46 0.64 0.12 0.02 0.00 0.00 175.26 175.52 1rck s PHE 59 N -2.90 -1.71 0.31 1.61 2.19 -0.59 -4.34 117.98 112.54 1rck s PHE 59 Ca 0.57 0.19 -0.29 0.00 0.33 0.00 0.00 56.93 57.73 1rck s PHE 59 Cb -0.11 0.32 -0.11 0.00 -1.31 0.00 0.00 43.02 41.81 1rck s PHE 59 CO 0.43 -1.18 1.44 -2.14 1.83 0.00 0.00 175.22 175.61 1rck s PRO 60 N 1.78 4.23 0.52 10.12 0.02 -1.26 -2.19 135.00 148.22 1rck s PRO 60 Ca 0.17 2.39 0.06 0.00 0.02 0.00 0.00 61.00 63.64 1rck s PRO 60 Cb -0.04 -3.05 0.03 0.00 0.02 0.00 0.00 34.50 31.46 1rck s PRO 60 CO -0.07 -0.42 0.45 -1.50 -0.33 0.00 0.00 177.00 175.13 1rck s ILE 61 N -0.55 1.90 0.35 2.83 2.07 -0.95 -4.52 121.20 122.32 1rck s ILE 61 Ca 0.56 -1.41 -0.17 0.00 -1.41 0.00 0.00 60.65 58.22 1rck s ILE 61 Cb -0.43 -2.30 0.06 0.00 0.13 0.00 0.00 42.46 39.92 1rck s ILE 61 CO 0.51 0.00 0.86 -1.59 -1.91 0.00 0.00 174.94 172.81 1rck s LYS 62 N -4.30 2.05 -0.63 3.50 -2.85 -1.26 -4.59 119.74 111.66 1rck s LYS 62 Ca 0.40 -1.34 -0.05 0.00 -1.00 0.00 0.00 55.97 53.98 1rck s LYS 62 Cb -0.03 0.57 -0.01 0.00 -2.06 0.00 0.00 37.83 36.30 1rck s LYS 62 CO 0.25 -0.96 2.90 -1.13 0.10 0.00 0.00 175.35 176.50 1rck n SER 63 N -1.46 6.71 0.08 0.03 3.41 -1.26 -4.05 113.62 117.08 1rck n SER 63 Ca -0.07 -2.99 0.00 0.00 -0.26 0.00 0.00 58.87 55.55 1rck n SER 63 Cb 0.60 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 1rck n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rck n GLY 64 N 1.62 -0.60 0.00 5.00 0.00 -1.26 -5.16 105.19 104.78 1rck n GLY 64 Ca 0.53 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 0.85 -0.52 3.70 -0.02 0.00 -1.26 -5.10 105.19 102.84 1rck n GLY 65 Ca 0.00 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 2.57 0.32 1.61 0.11 -1.26 -4.43 120.40 119.31 1rck s VAL 66 Ca 0.00 0.18 -0.28 0.00 -2.93 0.00 0.00 61.98 58.96 1rck s VAL 66 Cb 0.00 -2.60 -0.13 0.00 -1.53 0.00 0.00 36.38 32.12 1rck s VAL 66 CO 0.00 -0.24 1.06 0.00 -3.33 0.00 0.00 175.10 172.59 1rck n TYR 67 N -4.00 1.45 0.09 1.54 9.36 -1.26 -4.90 117.16 119.44 1rck n TYR 67 Ca 0.07 0.66 0.00 0.00 3.32 0.00 0.00 57.90 61.95 1rck n TYR 67 Cb 0.55 -2.28 0.00 0.00 -0.63 0.00 0.00 39.34 36.98 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 0.16 0.00 0.00 2.97 -2.24 -1.26 -5.01 114.28 108.90 1rck n THR 68 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1rck n THR 68 Cb 0.34 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 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 1.27 1.82 0.00 3.38 0.00 -1.26 -5.13 105.19 105.26 1rck n GLY 69 Ca 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.94 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 0.59 -0.19 1.20 -0.02 0.00 -1.26 -5.11 105.19 100.39 1rck n GLY 70 Ca 0.00 -1.55 0.16 0.00 0.00 0.00 0.00 46.02 44.63 1rck n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rck n SER 71 N -0.75 -7.17 -4.69 1.61 3.41 -1.26 -4.87 113.62 99.91 1rck n SER 71 Ca 0.00 0.78 -0.31 0.00 -0.26 0.00 0.00 58.87 59.08 1rck n SER 71 Cb 0.00 -3.82 0.16 0.00 -0.26 0.00 0.00 64.21 60.29 1rck n SER 71 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 1rck s PRO 72 N -2.84 1.18 -0.46 4.33 0.02 -1.26 -5.03 135.00 130.94 1rck s PRO 72 Ca 0.00 1.51 0.04 0.00 0.02 0.00 0.00 61.00 62.57 1rck s PRO 72 Cb 0.00 -1.75 0.24 0.00 0.02 0.00 0.00 34.50 33.01 1rck s PRO 72 CO 0.00 -2.51 0.95 0.41 -0.33 0.00 0.00 177.00 175.52 1rck n GLY 73 N 0.04 -0.49 0.19 0.52 0.00 -1.26 -5.00 105.19 99.19 1rck n GLY 73 Ca 0.12 0.41 0.14 0.00 0.00 0.00 0.00 46.02 46.69 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 3.98 1.00 -2.86 4.61 0.00 -1.96 -3.43 119.26 120.60 1rck h ALA 74 Ca -0.13 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.18 1rck h ALA 74 Cb 1.08 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.76 1rck h ALA 74 CO 0.16 0.00 -0.21 0.16 0.00 0.00 0.00 179.25 179.36 1rck s ASP 75 N -4.72 6.42 -0.01 0.00 -4.77 -1.26 -2.08 116.67 110.25 1rck s ASP 75 Ca 0.03 0.50 0.02 0.00 -3.30 0.00 0.00 52.55 49.79 1rck s ASP 75 Cb 0.09 -2.23 0.00 0.00 -1.09 0.00 0.00 42.92 39.70 1rck s ASP 75 CO 0.43 -0.08 -0.06 -0.13 0.70 0.00 0.00 175.17 176.04 1rck s ARG 76 N 1.33 0.56 -0.01 2.11 0.52 -0.37 -2.23 118.95 120.85 1rck s ARG 76 Ca 0.19 -0.18 -0.01 0.00 -0.52 0.00 0.00 55.73 55.20 1rck s ARG 76 Cb -0.15 -0.56 -0.04 0.00 0.52 0.00 0.00 34.95 34.73 1rck s ARG 76 CO 0.08 0.08 0.11 0.14 0.02 0.00 0.00 175.30 175.73 1rck s VAL 77 N 0.12 4.94 -0.03 3.52 -7.23 -0.93 -1.68 120.40 119.11 1rck s VAL 77 Ca -0.01 -0.32 0.01 0.00 -1.81 0.00 0.00 61.98 59.86 1rck s VAL 77 Cb -0.05 -3.27 0.01 0.00 0.56 0.00 0.00 36.38 33.63 1rck s VAL 77 CO -0.00 0.36 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.40 1rck s VAL 78 N -1.22 0.52 0.28 1.32 1.01 -0.59 -1.55 120.40 120.17 1rck s VAL 78 Ca 0.24 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.09 1rck s VAL 78 Cb -0.12 -0.50 -0.06 0.00 0.00 0.00 0.00 36.38 35.70 1rck s VAL 78 CO 0.15 0.19 -0.03 0.27 0.00 0.00 0.00 175.10 175.68 1rck s ILE 79 N 0.47 1.49 0.42 2.22 -4.36 -1.08 -1.92 121.20 118.44 1rck s ILE 79 Ca -0.06 -2.09 -0.07 0.00 -0.26 0.00 0.00 60.65 58.17 1rck s ILE 79 Cb -0.10 -2.50 -0.05 0.00 1.25 0.00 0.00 42.46 41.06 1rck s ILE 79 CO -0.00 -0.25 0.73 0.21 0.24 0.00 0.00 174.94 175.87 1rck s ASN 80 N -3.44 6.39 -0.97 4.36 3.84 0.32 -2.36 114.94 123.08 1rck s ASN 80 Ca 0.30 0.96 -0.08 0.00 0.21 0.00 0.00 52.86 54.25 1rck s ASN 80 Cb 0.05 -2.25 -0.16 0.00 -0.55 0.00 0.00 41.25 38.34 1rck s ASN 80 CO 0.12 -0.44 3.20 1.07 -2.79 0.00 0.00 177.10 178.26 1rck n THR 81 N -1.67 3.75 0.00 -5.21 5.66 -1.21 -3.74 114.28 111.87 1rck n THR 81 Ca 0.01 -2.13 0.00 0.00 -3.05 0.00 0.00 64.05 58.88 1rck n THR 81 Cb 0.55 -2.36 0.00 0.00 -1.55 0.00 0.00 70.33 66.96 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 3.17 0.00 0.00 1.09 5.15 -1.26 -5.04 115.26 118.37 1rck n ASN 82 Ca 0.64 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.62 1rck n ASN 82 Cb 0.50 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 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 4.40 0.13 0.00 2.12 -1.26 -4.88 118.70 119.20 1rck s GLU 84 Ca 0.00 1.08 -0.31 0.00 0.36 0.00 0.00 54.97 56.10 1rck s GLU 84 Cb 0.00 -3.51 -0.09 0.00 0.26 0.00 0.00 34.13 30.79 1rck s GLU 84 CO 0.00 -0.14 1.61 -0.47 -0.54 0.00 0.00 175.26 175.72 1rck s TYR 85 N 1.47 2.78 -0.19 5.30 6.14 -1.26 -0.52 117.35 131.07 1rck s TYR 85 Ca 0.41 0.48 -0.12 0.00 0.64 0.00 0.00 57.07 58.48 1rck s TYR 85 Cb -0.18 -3.95 -0.21 0.00 0.42 0.00 0.00 41.96 38.04 1rck s TYR 85 CO 0.18 -3.65 0.16 0.00 0.64 0.00 0.00 175.55 172.87 1rck n ALA 86 N 4.68 0.94 0.00 3.97 0.00 -0.93 -4.83 120.51 124.34 1rck n ALA 86 Ca 0.15 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1rck n ALA 86 Cb 0.39 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 1.73 -0.20 2.81 0.00 0.00 -0.81 -4.77 105.19 103.95 1rck n GLY 87 Ca -0.36 -1.00 -0.23 0.00 0.00 0.00 0.00 46.02 44.42 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 0.78 0.20 4.61 0.00 -1.26 -1.54 121.76 122.54 1rck s ALA 88 Ca 0.00 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 51.86 1rck s ALA 88 Cb 0.00 -0.70 -0.05 0.00 0.00 0.00 0.00 23.12 22.37 1rck s ALA 88 CO 0.00 -0.37 -0.11 0.96 0.00 0.00 0.00 175.76 176.24 1rck s ILE 89 N 1.74 1.51 0.14 0.00 -4.36 -0.67 -1.78 121.20 117.78 1rck s ILE 89 Ca 0.02 -2.15 -0.21 0.00 -0.26 0.00 0.00 60.65 58.06 1rck s ILE 89 Cb -0.13 -2.08 0.06 0.00 1.25 0.00 0.00 42.46 41.56 1rck s ILE 89 CO -0.05 -0.57 0.54 0.28 0.24 0.00 0.00 174.94 175.38 1rck s THR 90 N -3.11 0.02 -0.15 8.37 -1.32 -0.28 -1.24 115.64 117.94 1rck s THR 90 Ca 0.23 -0.19 0.18 0.00 -1.21 0.00 0.00 61.69 60.70 1rck s THR 90 Cb 0.01 -1.05 0.14 0.00 -1.51 0.00 0.00 72.50 70.09 1rck s THR 90 CO 0.06 -0.10 1.54 0.45 -2.21 0.00 0.00 174.62 174.36 1rck h HIS 91 N 2.14 0.00 -2.03 9.09 3.86 -1.65 -0.66 115.15 125.89 1rck h HIS 91 Ca -0.34 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.31 1rck h HIS 91 Cb 1.29 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.76 1rck h HIS 91 CO 0.26 0.38 1.48 0.99 0.86 0.00 0.00 177.93 181.90 1rck s THR 92 N -3.12 3.09 0.00 2.45 2.01 -1.26 -1.21 115.64 117.60 1rck s THR 92 Ca 0.04 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.12 1rck s THR 92 Cb 0.08 -3.13 0.00 0.00 0.01 0.00 0.00 72.50 69.46 1rck s THR 92 CO 0.71 -0.09 0.00 0.61 -0.69 0.00 0.00 174.62 175.16 1rck n GLY 93 N 5.76 1.94 3.82 4.40 0.00 -1.26 -4.53 105.19 115.31 1rck n GLY 93 Ca 0.30 0.00 -0.30 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 s ALA 94 N -2.16 2.45 -0.80 4.61 0.00 -0.35 -4.99 121.76 120.53 1rck s ALA 94 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 51.96 51.78 1rck s ALA 94 Cb 0.00 -3.11 0.36 0.00 0.00 0.00 0.00 23.12 20.37 1rck s ALA 94 CO 0.00 -1.51 1.80 0.45 0.00 0.00 0.00 175.76 176.50 1rck n SER 95 N -3.29 6.93 0.00 0.00 2.88 -1.26 -4.97 113.62 113.91 1rck n SER 95 Ca 0.07 -3.79 0.00 0.00 -1.33 0.00 0.00 58.87 53.82 1rck n SER 95 Cb 0.56 -0.97 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 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 -0.44 0.48 0.11 0.46 0.00 -1.26 -4.86 105.19 99.68 1rck n GLY 96 Ca 0.50 -1.39 0.13 0.00 0.00 0.00 0.00 46.02 45.26 1rck n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1rck n ASN 97 N 0.00 0.82 -4.50 1.61 6.94 -1.26 -4.89 115.26 113.98 1rck n ASN 97 Ca 0.00 0.58 -0.29 0.00 -0.02 0.00 0.00 54.58 54.85 1rck n ASN 97 Cb 0.00 -0.80 0.25 0.00 -2.36 0.00 0.00 39.78 36.86 1rck n ASN 97 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1rck s ASN 98 N -4.55 1.12 0.25 0.53 2.20 -1.26 -4.92 114.94 108.31 1rck s ASN 98 Ca 0.10 1.67 0.07 0.00 -0.94 0.00 0.00 52.86 53.77 1rck s ASN 98 Cb 0.12 -2.39 -0.04 0.00 -2.00 0.00 0.00 41.25 36.94 1rck s ASN 98 CO 0.59 -4.14 0.17 -0.36 -2.94 0.00 0.00 177.10 170.42 1rck s PHE 99 N -2.45 3.06 0.19 1.54 0.40 -1.26 -4.53 117.98 114.93 1rck s PHE 99 Ca 0.68 -0.12 0.02 0.00 -0.60 0.00 0.00 56.93 56.91 1rck s PHE 99 Cb -0.25 -1.38 -0.05 0.00 0.51 0.00 0.00 43.02 41.85 1rck s PHE 99 CO 0.64 0.53 0.02 0.14 0.70 0.00 0.00 175.22 177.25 1rck s VAL 100 N -2.13 0.65 -0.02 -0.44 -7.23 -0.26 -4.92 120.40 106.05 1rck s VAL 100 Ca 0.32 -1.98 -0.15 0.00 -1.81 0.00 0.00 61.98 58.36 1rck s VAL 100 Cb -0.08 -2.22 -0.05 0.00 0.56 0.00 0.00 36.38 34.59 1rck s VAL 100 CO 0.24 -0.38 0.42 -0.83 -0.31 0.00 0.00 175.10 174.23 1rck s GLY 101 N -3.20 2.46 0.39 2.32 0.00 -1.26 -1.12 107.32 106.91 1rck s GLY 101 Ca 0.27 -0.22 -0.04 0.00 0.00 0.00 0.00 44.72 44.72 1rck s GLY 101 CO 0.06 0.26 0.53 0.00 0.00 0.00 0.00 173.10 173.95 1rck s SER 103 N -3.03 7.05 0.00 0.00 0.01 -1.19 -4.05 113.70 112.49 1rck s SER 103 Ca 0.32 1.58 0.00 0.00 1.31 0.00 0.00 55.95 59.16 1rck s SER 103 Cb -0.01 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1rck s SER 103 CO 0.22 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 173.81 1rck n GLY 104 N 3.42 0.23 1.41 3.44 0.00 -1.26 -3.98 105.19 108.45 1rck n GLY 104 Ca 0.12 -0.29 0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.07 0.08 -0.81 2.61 5.66 -1.26 -4.40 114.28 115.09 1rck n THR 105 Ca 0.00 -1.01 0.00 0.00 -3.05 0.00 0.00 64.05 59.99 1rck n THR 105 Cb 0.45 0.93 0.00 0.00 -1.55 0.00 0.00 70.33 70.16 1rck n THR 105 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61