#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 1.30 -3.72 -1.46 0.00 -1.26 -4.37 120.51 111.00 1rck n ALA 3 Ca 0.00 0.32 -0.25 0.00 0.00 0.00 0.00 53.44 53.51 1rck n ALA 3 Cb 0.00 -2.50 -0.17 0.00 0.00 0.00 0.00 19.45 16.78 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 3.11 0.90 -0.16 0.00 -1.32 -0.84 -4.87 115.64 112.46 1rck s THR 4 Ca 0.87 -0.27 -0.05 0.00 -1.21 0.00 0.00 61.69 61.04 1rck s THR 4 Cb -0.63 -0.90 -0.03 0.00 -1.51 0.00 0.00 72.50 69.43 1rck s THR 4 CO 0.45 0.33 -0.01 -0.89 -2.21 0.00 0.00 174.62 172.29 1rck s THR 5 N 1.31 4.14 -0.46 5.08 2.01 -1.26 -1.89 115.64 124.57 1rck s THR 5 Ca -0.03 -0.27 0.04 0.00 0.31 0.00 0.00 61.69 61.74 1rck s THR 5 Cb -0.14 -2.83 0.12 0.00 0.01 0.00 0.00 72.50 69.66 1rck s THR 5 CO -0.03 0.48 0.19 0.00 -0.69 0.00 0.00 174.62 174.57 1rck n GLY 7 N 3.50 1.69 0.02 0.00 0.00 -1.26 -2.13 105.19 107.01 1rck n GLY 7 Ca 0.05 0.24 -0.01 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 4.25 3.88 -4.75 1.61 7.64 -1.26 -5.04 113.62 119.95 1rck n SER 8 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 1rck n SER 8 Cb 0.00 0.77 0.07 0.00 -1.01 0.00 0.00 64.21 64.04 1rck n SER 8 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1rck s THR 9 N -2.17 2.86 -0.38 0.44 -4.23 -0.90 -5.03 115.64 106.22 1rck s THR 9 Ca -0.02 0.39 0.02 0.00 -1.18 0.00 0.00 61.69 60.91 1rck s THR 9 Cb 0.02 -2.91 0.15 0.00 1.34 0.00 0.00 72.50 71.11 1rck s THR 9 CO 0.19 -0.25 0.30 0.20 -0.54 0.00 0.00 174.62 174.52 1rck s ASN 10 N -2.42 1.95 0.02 3.99 0.01 -1.26 -1.94 114.94 115.29 1rck s ASN 10 Ca 0.69 -2.37 -0.19 0.00 -0.71 0.00 0.00 52.86 50.28 1rck s ASN 10 Cb -0.24 -0.15 -0.06 0.00 0.41 0.00 0.00 41.25 41.21 1rck s ASN 10 CO 0.44 -0.24 0.56 -0.31 -1.51 0.00 0.00 177.10 176.04 1rck s TYR 11 N 0.78 3.72 0.64 2.20 2.02 -0.79 -4.96 117.35 120.96 1rck s TYR 11 Ca 0.23 1.19 -0.12 0.00 -0.37 0.00 0.00 57.07 58.00 1rck s TYR 11 Cb -0.12 -2.54 -0.02 0.00 -0.40 0.00 0.00 41.96 38.88 1rck s TYR 11 CO -0.07 0.46 1.04 0.45 -1.57 0.00 0.00 175.55 175.86 1rck s SER 12 N -0.56 5.81 0.64 2.29 0.15 -1.26 -1.98 113.70 118.79 1rck s SER 12 Ca 0.29 1.60 0.42 0.00 0.70 0.00 0.00 55.95 58.96 1rck s SER 12 Cb -0.18 -2.50 2.30 0.00 -1.71 0.00 0.00 66.02 63.93 1rck s SER 12 CO 0.17 -1.15 2.30 0.00 1.20 0.00 0.00 173.24 175.76 1rck h ALA 13 N -0.23 1.01 -0.26 5.45 0.00 -1.90 0.45 119.26 123.79 1rck h ALA 13 Ca -0.45 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.28 1rck h ALA 13 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1rck h ALA 13 CO 0.59 -0.01 -0.58 0.77 0.00 0.00 0.00 179.25 180.02 1rck h SER 14 N 0.00 0.93 0.01 0.00 0.02 -1.91 -2.70 113.55 109.90 1rck h SER 14 Ca 0.00 -0.51 -0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1rck h SER 14 Cb 0.03 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.30 1rck h SER 14 CO 0.00 1.30 -0.00 1.56 -1.14 0.00 0.00 176.83 178.55 1rck h GLN 15 N 0.63 -0.01 -0.40 3.45 7.50 -1.26 0.26 115.11 125.28 1rck h GLN 15 Ca 0.01 0.00 0.06 0.00 0.50 0.00 0.00 58.65 59.22 1rck h GLN 15 Cb 1.18 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 28.66 1rck h GLN 15 CO 0.12 0.54 0.07 0.28 -1.50 0.00 0.00 178.83 178.34 1rck h VAL 16 N -0.56 0.78 -0.25 -0.54 2.07 -1.55 -1.22 116.25 114.98 1rck h VAL 16 Ca -0.00 -0.07 -0.15 0.00 0.82 0.00 0.00 66.70 67.30 1rck h VAL 16 Cb 0.55 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1rck h VAL 16 CO 0.00 0.04 -0.43 -0.09 0.02 0.00 0.00 177.57 177.10 1rck h ARG 17 N 0.19 0.73 0.16 1.57 2.43 -1.53 -2.27 114.38 115.66 1rck h ARG 17 Ca 0.20 -0.46 -0.01 0.00 -0.81 0.00 0.00 59.98 58.90 1rck h ARG 17 Cb 0.24 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1rck h ARG 17 CO -0.27 1.08 -0.08 0.00 -1.51 0.00 0.00 179.97 179.20 1rck h ALA 18 N 0.65 -0.21 -0.66 2.80 0.00 -0.73 0.10 119.26 121.20 1rck h ALA 18 Ca 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1rck h ALA 18 Cb 1.03 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1rck h ALA 18 CO 0.10 -0.48 0.38 0.00 0.00 0.00 0.00 179.25 179.25 1rck h ALA 19 N 0.28 1.43 -0.19 0.00 0.00 -1.34 -1.34 119.26 118.10 1rck h ALA 19 Ca -0.02 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 1rck h ALA 19 Cb 0.39 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1rck h ALA 19 CO 0.04 0.48 -0.68 0.00 0.00 0.00 0.00 179.25 179.09 1rck h ALA 20 N 1.51 0.43 0.00 0.00 0.00 -1.30 -0.88 119.26 119.02 1rck h ALA 20 Ca 0.24 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1rck h ALA 20 Cb -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1rck h ALA 20 CO -0.04 0.69 -0.07 -0.97 0.00 0.00 0.00 179.25 178.86 1rck h ASN 21 N 0.55 0.00 0.01 0.00 -0.73 -0.61 0.55 115.58 115.35 1rck h ASN 21 Ca -0.02 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.15 1rck h ASN 21 Cb 1.29 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.88 1rck h ASN 21 CO 0.14 0.07 -0.00 0.00 -0.37 0.00 0.00 177.43 177.26 1rck h ALA 22 N 1.93 -0.01 -1.07 1.57 0.00 -0.95 -2.89 119.26 117.84 1rck h ALA 22 Ca -0.00 -0.00 0.30 0.00 0.00 0.00 0.00 54.91 55.20 1rck h ALA 22 Cb 0.41 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.09 1rck h ALA 22 CO 0.01 -0.01 0.67 0.00 0.00 0.00 0.00 179.25 179.92 1rck h ALA 23 N -1.36 2.20 0.79 0.00 0.00 -1.15 0.42 119.26 120.18 1rck h ALA 23 Ca -0.00 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1rck h ALA 23 Cb 0.01 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1rck h ALA 23 CO 0.00 -0.68 -0.41 0.00 0.00 0.00 0.00 179.25 178.16 1rck h GLN 25 N -1.10 0.81 -0.40 0.00 4.20 -1.12 -2.45 115.11 115.05 1rck h GLN 25 Ca -0.11 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.38 1rck h GLN 25 Cb 0.85 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 1rck h GLN 25 CO 0.16 0.70 -0.05 1.88 -0.67 0.00 0.00 178.83 180.85 1rck h TYR 26 N 0.79 0.82 0.00 2.96 0.05 -0.89 -2.95 116.97 117.74 1rck h TYR 26 Ca 0.18 -0.16 -0.11 0.00 0.05 0.00 0.00 58.73 58.68 1rck h TYR 26 Cb 0.24 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.76 1rck h TYR 26 CO 0.01 0.84 -0.54 -0.92 -1.05 0.00 0.00 178.16 176.50 1rck h TYR 27 N 0.56 0.00 -0.32 4.88 3.20 -0.89 -2.89 116.97 121.51 1rck h TYR 27 Ca 0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1rck h TYR 27 Cb 0.55 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1rck h TYR 27 CO 0.04 0.54 0.00 1.04 -1.64 0.00 0.00 178.16 178.15 1rck n GLN 28 N -3.54 1.77 -2.53 1.82 1.13 -0.93 -3.65 117.38 111.45 1rck n GLN 28 Ca -0.00 -1.20 -0.15 0.00 -1.94 0.00 0.00 57.00 53.71 1rck n GLN 28 Cb 0.63 -1.28 0.02 0.00 0.11 0.00 0.00 30.24 29.73 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 0.47 3.01 -1.72 1.08 0.23 -1.12 -4.94 115.26 112.26 1rck n ASN 29 Ca 0.12 -3.02 -0.11 0.00 -0.53 0.00 0.00 54.58 51.04 1rck n ASN 29 Cb 0.29 -0.46 0.03 0.00 -2.08 0.00 0.00 39.78 37.55 1rck n ASN 29 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1rck n ASP 30 N -0.42 -3.86 -1.44 0.53 8.00 -1.26 -4.90 116.55 113.21 1rck n ASP 30 Ca 0.23 -0.19 0.19 0.00 0.71 0.00 0.00 54.79 55.74 1rck n ASP 30 Cb 0.80 -2.61 -0.06 0.00 -0.02 0.00 0.00 41.12 39.23 1rck n ASP 30 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1rck n ASP 31 N -0.41 -8.55 -1.26 -2.24 8.00 -1.10 -4.93 116.55 106.07 1rck n ASP 31 Ca -0.03 0.73 -0.03 0.00 0.71 0.00 0.00 54.79 56.18 1rck n ASP 31 Cb 0.54 -4.47 0.00 0.00 -0.02 0.00 0.00 41.12 37.18 1rck n ASP 31 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1rck n THR 32 N -4.23 -0.26 -3.59 -3.53 5.66 -1.25 -4.84 114.28 102.24 1rck n THR 32 Ca -0.01 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.60 1rck n THR 32 Cb 0.67 -0.23 -0.09 0.00 -1.55 0.00 0.00 70.33 69.13 1rck n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rck s ALA 33 N -0.22 3.43 -1.02 1.79 0.00 -1.26 -4.60 121.76 119.87 1rck s ALA 33 Ca 0.02 -2.67 -0.02 0.00 0.00 0.00 0.00 51.96 49.29 1rck s ALA 33 Cb -0.00 -2.80 -0.02 0.00 0.00 0.00 0.00 23.12 20.30 1rck s ALA 33 CO 0.06 -1.94 0.87 0.41 0.00 0.00 0.00 175.76 175.16 1rck n GLY 34 N 4.65 -0.52 0.00 0.00 0.00 -1.26 -4.93 105.19 103.13 1rck n GLY 34 Ca -0.04 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.95 0.00 0.00 1.61 7.64 -1.26 -4.76 113.62 113.89 1rck n SER 35 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1rck n SER 35 Cb 0.64 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 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 0.00 0.00 -0.03 6.43 2.88 -1.26 -4.56 113.62 117.07 1rck n SER 36 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1rck n SER 36 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 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 -0.77 0.34 -2.20 2.46 -2.24 -1.26 -4.91 114.28 105.70 1rck n THR 37 Ca 0.00 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 1rck n THR 37 Cb 0.00 -1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 67.13 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 -2.12 3.26 0.22 4.78 1.51 -1.26 -3.59 117.35 120.15 1rck s TYR 38 Ca -0.08 1.09 -0.30 0.00 -1.01 0.00 0.00 57.07 56.77 1rck s TYR 38 Cb 0.03 -3.64 -0.09 0.00 -0.11 0.00 0.00 41.96 38.15 1rck s TYR 38 CO 0.13 -2.12 1.14 -1.25 -1.11 0.00 0.00 175.55 172.34 1rck s PRO 39 N 0.55 4.57 -0.05 -1.71 0.04 -1.26 -4.66 135.00 132.48 1rck s PRO 39 Ca 0.61 1.82 -0.31 0.00 0.04 0.00 0.00 61.00 63.16 1rck s PRO 39 Cb -0.36 -3.23 0.07 0.00 0.04 0.00 0.00 34.50 31.02 1rck s PRO 39 CO 0.34 0.06 0.68 -3.38 0.04 0.00 0.00 177.00 174.74 1rck s HIS 40 N -0.53 -0.65 0.31 0.56 -3.43 -1.24 -4.33 115.29 105.97 1rck s HIS 40 Ca 0.49 1.11 -0.27 0.00 -0.80 0.00 0.00 55.06 55.59 1rck s HIS 40 Cb -0.32 0.41 -0.14 0.00 -1.43 0.00 0.00 32.58 31.10 1rck s HIS 40 CO 0.38 -0.61 0.83 2.41 -2.00 0.00 0.00 174.74 175.75 1rck n THR 41 N 0.89 1.99 -3.79 -5.38 -1.04 -1.26 -1.49 114.28 104.20 1rck n THR 41 Ca -0.19 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 60.97 1rck n THR 41 Cb 0.57 -0.75 -0.11 0.00 -1.82 0.00 0.00 70.33 68.22 1rck n THR 41 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1rck s TYR 42 N -1.15 3.54 -0.12 -1.42 5.04 -0.75 -4.76 117.35 117.74 1rck s TYR 42 Ca 0.61 -2.58 0.07 0.00 -2.44 0.00 0.00 57.07 52.73 1rck s TYR 42 Cb -0.71 -3.18 0.18 0.00 0.35 0.00 0.00 41.96 38.60 1rck s TYR 42 CO 0.59 -0.93 1.19 0.27 -1.34 0.00 0.00 175.55 175.33 1rck n ASN 43 N 4.22 -0.92 0.03 4.32 0.23 -1.26 -4.81 115.26 117.06 1rck n ASN 43 Ca 0.01 -2.07 -0.13 0.00 -0.53 0.00 0.00 54.58 51.86 1rck n ASN 43 Cb 0.40 0.36 -0.09 0.00 -2.08 0.00 0.00 39.78 38.37 1rck n ASN 43 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1rck h ASN 44 N 0.48 -0.04 -0.92 0.53 7.08 -2.03 -3.43 115.58 117.25 1rck h ASN 44 Ca -0.49 -0.29 -0.03 0.00 -3.08 0.00 0.00 56.30 52.41 1rck h ASN 44 Cb 1.40 0.01 -0.19 0.00 -2.08 0.00 0.00 38.32 37.46 1rck h ASN 44 CO -0.22 0.27 -0.40 -0.47 -2.08 0.00 0.00 177.43 174.53 1rck s TYR 45 N -4.96 -1.62 0.19 4.14 5.04 -1.26 -5.14 117.35 113.74 1rck s TYR 45 Ca -0.15 0.36 0.00 0.00 -2.44 0.00 0.00 57.07 54.84 1rck s TYR 45 Cb 0.03 0.29 0.00 0.00 0.35 0.00 0.00 41.96 42.64 1rck s TYR 45 CO 0.66 -1.07 0.00 0.39 -1.34 0.00 0.00 175.55 174.18 1rck n GLU 46 N 4.51 -1.25 0.00 4.97 -0.58 -1.26 -4.88 120.64 122.15 1rck n GLU 46 Ca 0.10 0.92 0.00 0.00 -0.42 0.00 0.00 57.16 57.76 1rck n GLU 46 Cb 0.57 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.95 1rck n GLU 46 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rck n GLY 47 N -3.10 1.02 7.00 0.62 0.00 -1.26 -4.62 105.19 104.86 1rck n GLY 47 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1rck n GLY 47 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1rck n PHE 48 N -0.30 -0.78 -0.17 1.61 7.35 -1.26 -4.84 117.46 119.07 1rck n PHE 48 Ca 0.00 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 1rck n PHE 48 Cb 0.27 0.17 0.08 0.00 0.35 0.00 0.00 39.48 40.34 1rck n PHE 48 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1rck n ASP 49 N -2.59 -2.37 -3.52 -2.13 8.00 -1.26 -4.59 116.55 108.08 1rck n ASP 49 Ca 0.00 -0.32 -0.22 0.00 0.71 0.00 0.00 54.79 54.95 1rck n ASP 49 Cb 0.00 -0.28 0.03 0.00 -0.02 0.00 0.00 41.12 40.86 1rck n ASP 49 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1rck n PHE 50 N -3.68 -2.21 -2.19 1.24 -1.74 -1.26 -4.89 117.46 102.74 1rck n PHE 50 Ca 0.04 0.69 -0.43 0.00 -0.56 0.00 0.00 57.45 57.19 1rck n PHE 50 Cb 0.17 -3.55 -0.02 0.00 1.52 0.00 0.00 39.48 37.59 1rck n PHE 50 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1rck s PRO 51 N -5.06 3.57 0.37 3.97 0.04 -1.26 -4.99 135.00 131.64 1rck s PRO 51 Ca 0.31 1.28 0.05 0.00 0.04 0.00 0.00 61.00 62.68 1rck s PRO 51 Cb -0.10 -4.07 -0.07 0.00 0.04 0.00 0.00 34.50 30.30 1rck s PRO 51 CO 0.83 -1.56 0.04 0.14 0.04 0.00 0.00 177.00 176.49 1rck s VAL 52 N 5.77 1.47 0.02 -0.36 -7.23 -1.26 -5.08 120.40 113.72 1rck s VAL 52 Ca 0.69 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.59 1rck s VAL 52 Cb -0.19 -2.83 -0.16 0.00 0.56 0.00 0.00 36.38 33.76 1rck s VAL 52 CO 0.31 0.00 1.19 -0.78 -0.31 0.00 0.00 175.10 175.52 1rck h ASP 53 N 1.94 -0.66 0.00 4.85 3.58 -2.05 -3.49 116.42 120.59 1rck h ASP 53 Ca -0.42 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.00 1rck h ASP 53 Cb 1.25 0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.47 1rck h ASP 53 CO 0.74 -0.30 0.00 0.61 -2.88 0.00 0.00 179.24 177.41 1rck n GLY 54 N -0.62 0.53 3.62 -0.78 0.00 -1.26 -4.80 105.19 101.89 1rck n GLY 54 Ca -0.11 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.73 1rck n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1rck n PRO 55 N 0.86 1.00 -4.65 1.61 -0.02 -1.26 -4.85 135.00 127.69 1rck n PRO 55 Ca 0.00 0.38 -0.33 0.00 -2.02 0.00 0.00 63.50 61.53 1rck n PRO 55 Cb 0.00 -2.17 -0.11 0.00 -0.02 0.00 0.00 33.50 31.20 1rck n PRO 55 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1rck s TYR 56 N -1.47 2.89 0.10 6.00 1.13 -1.26 -2.67 117.35 122.06 1rck s TYR 56 Ca 0.74 -0.02 0.07 0.00 -1.41 0.00 0.00 57.07 56.45 1rck s TYR 56 Cb -0.43 -1.68 -0.04 0.00 -1.10 0.00 0.00 41.96 38.71 1rck s TYR 56 CO 0.49 0.31 -0.12 -0.65 -2.51 0.00 0.00 175.55 173.07 1rck s GLN 57 N -0.90 2.04 0.44 -3.49 1.11 -0.65 -1.80 119.66 116.41 1rck s GLN 57 Ca 0.13 -1.06 -0.11 0.00 0.01 0.00 0.00 55.36 54.33 1rck s GLN 57 Cb -0.11 -2.25 -0.06 0.00 -1.01 0.00 0.00 33.01 29.57 1rck s GLN 57 CO 0.02 0.50 0.82 -1.21 0.01 0.00 0.00 175.29 175.44 1rck s GLU 58 N -2.15 3.79 -0.26 2.91 2.02 -0.56 -1.55 118.70 122.91 1rck s GLU 58 Ca 0.20 0.56 -0.02 0.00 0.02 0.00 0.00 54.97 55.73 1rck s GLU 58 Cb -0.11 -2.33 0.15 0.00 0.10 0.00 0.00 34.13 31.94 1rck s GLU 58 CO 0.12 -0.11 0.44 0.12 0.02 0.00 0.00 175.26 175.85 1rck s PHE 59 N -2.46 -1.05 0.06 1.61 5.36 -0.75 -3.81 117.98 116.93 1rck s PHE 59 Ca 0.53 0.98 -0.28 0.00 -0.96 0.00 0.00 56.93 57.20 1rck s PHE 59 Cb -0.10 0.13 -0.05 0.00 -0.34 0.00 0.00 43.02 42.66 1rck s PHE 59 CO 0.33 -0.79 0.88 -1.25 -1.46 0.00 0.00 175.22 172.93 1rck s PRO 60 N 2.62 4.59 0.09 10.12 0.04 -1.26 -2.06 135.00 149.14 1rck s PRO 60 Ca 0.14 1.28 0.01 0.00 0.04 0.00 0.00 61.00 62.47 1rck s PRO 60 Cb -0.15 -3.39 0.01 0.00 0.04 0.00 0.00 34.50 31.01 1rck s PRO 60 CO -0.19 0.18 0.09 -0.89 0.04 0.00 0.00 177.00 176.23 1rck n ILE 61 N 3.06 0.00 -3.49 0.56 2.08 -0.88 -4.04 119.36 116.66 1rck n ILE 61 Ca 0.01 -0.34 -0.04 0.00 0.56 0.00 0.00 62.75 62.94 1rck n ILE 61 Cb 0.50 -0.61 0.01 0.00 -0.75 0.00 0.00 39.64 38.79 1rck n ILE 61 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1rck n LYS 62 N -0.90 0.50 -1.57 0.38 4.76 -1.25 -4.62 118.16 115.46 1rck n LYS 62 Ca 0.01 -1.00 -0.30 0.00 -2.87 0.00 0.00 58.31 54.15 1rck n LYS 62 Cb 0.10 1.28 -0.05 0.00 -1.84 0.00 0.00 35.03 34.52 1rck n LYS 62 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1rck n SER 63 N -1.16 6.91 0.03 4.39 7.64 -1.26 -3.88 113.62 126.29 1rck n SER 63 Ca -0.03 -3.07 0.00 0.00 1.01 0.00 0.00 58.87 56.78 1rck n SER 63 Cb 0.30 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 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 1.46 -0.76 0.00 0.23 0.00 -1.26 -5.07 105.19 99.78 1rck n GLY 64 Ca 0.54 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 -1.04 0.05 3.63 -0.02 0.00 -1.25 -4.88 105.19 101.68 1rck n GLY 65 Ca 0.00 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 1rck n GLY 65 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1rck n VAL 66 N 0.00 2.30 -4.27 1.61 3.14 -1.26 -3.92 118.33 115.93 1rck n VAL 66 Ca 0.00 -0.50 -0.15 0.00 -2.96 0.00 0.00 64.34 60.73 1rck n VAL 66 Cb 0.00 -1.22 -0.10 0.00 -1.06 0.00 0.00 33.84 31.46 1rck n VAL 66 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 1rck s TYR 67 N -1.20 1.34 -0.44 1.45 5.04 -1.26 -4.98 117.35 117.30 1rck s TYR 67 Ca 0.61 -0.94 0.09 0.00 -2.44 0.00 0.00 57.07 54.39 1rck s TYR 67 Cb -0.58 -0.75 0.31 0.00 0.35 0.00 0.00 41.96 41.28 1rck s TYR 67 CO 0.58 -0.10 0.71 -2.37 -1.34 0.00 0.00 175.55 173.03 1rck n THR 68 N -0.29 0.55 -0.62 4.34 5.66 -1.26 -4.92 114.28 117.74 1rck n THR 68 Ca -0.07 -4.68 0.00 0.00 -3.05 0.00 0.00 64.05 56.26 1rck n THR 68 Cb 0.63 -1.15 0.00 0.00 -1.55 0.00 0.00 70.33 68.26 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 0.57 -1.03 0.00 1.09 0.00 -1.26 -4.73 105.19 99.82 1rck n GLY 69 Ca 0.26 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.04 0.15 7.00 -0.02 0.00 -1.26 -4.74 105.19 105.27 1rck n GLY 70 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1rck n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rck n SER 71 N 0.00 0.00 -4.72 1.61 7.64 -1.26 -4.56 113.62 112.34 1rck n SER 71 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1rck n SER 71 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1rck n SER 71 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1rck s PRO 72 N 0.00 4.49 0.00 1.43 0.04 -1.26 -4.97 135.00 134.72 1rck s PRO 72 Ca 0.00 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1rck s PRO 72 Cb 0.00 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1rck s PRO 72 CO 0.00 -0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.30 1rck n GLY 73 N 2.94 1.40 2.69 0.56 0.00 -1.26 -5.07 105.19 106.45 1rck n GLY 73 Ca 0.07 -0.79 -0.07 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.38 1.66 -3.52 4.61 0.00 -1.26 -4.87 120.51 116.76 1rck n ALA 74 Ca 0.00 -1.48 -0.03 0.00 0.00 0.00 0.00 53.44 51.93 1rck n ALA 74 Cb 0.00 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.44 -0.84 0.17 0.00 1.47 -1.26 -2.34 116.67 112.43 1rck s ASP 75 Ca 0.21 1.15 -0.10 0.00 1.18 0.00 0.00 52.55 55.00 1rck s ASP 75 Cb 0.41 1.92 -0.01 0.00 -0.34 0.00 0.00 42.92 44.91 1rck s ASP 75 CO -0.08 -0.24 0.31 -0.13 0.68 0.00 0.00 175.17 175.71 1rck s ARG 76 N 2.79 1.19 0.01 2.11 0.52 -0.30 -2.07 118.95 123.19 1rck s ARG 76 Ca 0.03 -1.16 0.02 0.00 -0.52 0.00 0.00 55.73 54.09 1rck s ARG 76 Cb -0.13 0.39 -0.01 0.00 0.52 0.00 0.00 34.95 35.72 1rck s ARG 76 CO -0.18 -0.45 -0.06 0.14 0.02 0.00 0.00 175.30 174.78 1rck s VAL 77 N -3.97 0.49 -0.09 3.52 -7.23 -0.88 -1.81 120.40 110.44 1rck s VAL 77 Ca 0.17 -0.47 -0.01 0.00 -1.81 0.00 0.00 61.98 59.86 1rck s VAL 77 Cb 0.03 -0.45 0.03 0.00 0.56 0.00 0.00 36.38 36.54 1rck s VAL 77 CO 0.00 -0.00 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.07 1rck s VAL 78 N -0.46 0.64 0.63 1.32 1.01 -0.80 -1.82 120.40 120.93 1rck s VAL 78 Ca -0.01 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 61.99 1rck s VAL 78 Cb -0.04 -0.74 0.11 0.00 0.00 0.00 0.00 36.38 35.71 1rck s VAL 78 CO -0.00 0.30 0.87 0.27 0.00 0.00 0.00 175.10 176.54 1rck s ILE 79 N 1.83 2.06 0.51 2.22 -4.36 -0.59 -1.20 121.20 121.66 1rck s ILE 79 Ca 0.04 -0.90 0.04 0.00 -0.26 0.00 0.00 60.65 59.58 1rck s ILE 79 Cb -0.12 -2.16 0.01 0.00 1.25 0.00 0.00 42.46 41.43 1rck s ILE 79 CO -0.06 0.00 0.24 0.20 0.24 0.00 0.00 174.94 175.56 1rck s ASN 80 N -4.72 4.45 -0.77 4.36 0.02 -0.37 -1.63 114.94 116.27 1rck s ASN 80 Ca 0.64 -1.34 -0.07 0.00 -1.02 0.00 0.00 52.86 51.06 1rck s ASN 80 Cb -0.05 0.30 -0.16 0.00 0.02 0.00 0.00 41.25 41.37 1rck s ASN 80 CO 0.41 -0.94 3.01 1.07 0.02 0.00 0.00 177.10 180.68 1rck n THR 81 N -1.53 3.31 0.00 1.60 5.66 -1.09 -3.97 114.28 118.27 1rck n THR 81 Ca -0.07 -1.85 0.00 0.00 -3.05 0.00 0.00 64.05 59.08 1rck n THR 81 Cb 0.65 -2.24 0.00 0.00 -1.55 0.00 0.00 70.33 67.19 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 3.18 0.00 -2.64 1.09 2.85 -1.26 -5.04 115.26 113.44 1rck n ASN 82 Ca 0.55 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.97 1rck n ASN 82 Cb 0.50 0.00 0.09 0.00 1.24 0.00 0.00 39.78 41.61 1rck n ASN 82 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1rck s GLU 84 N 0.15 1.94 -0.43 0.00 2.02 -1.26 -4.95 118.70 116.16 1rck s GLU 84 Ca 0.15 -1.33 -0.27 0.00 0.02 0.00 0.00 54.97 53.54 1rck s GLU 84 Cb 0.33 -2.84 -0.04 0.00 0.10 0.00 0.00 34.13 31.68 1rck s GLU 84 CO -0.08 -0.64 2.03 -0.47 0.02 0.00 0.00 175.26 176.12 1rck s TYR 85 N 1.16 1.48 -0.12 1.61 5.04 -1.26 -1.24 117.35 124.01 1rck s TYR 85 Ca -0.05 0.89 -0.17 0.00 -2.44 0.00 0.00 57.07 55.31 1rck s TYR 85 Cb -0.20 -3.95 -0.15 0.00 0.35 0.00 0.00 41.96 38.02 1rck s TYR 85 CO -0.06 -2.84 0.45 0.00 -1.34 0.00 0.00 175.55 171.75 1rck h ALA 86 N 15.47 -0.00 -1.48 3.97 0.00 -1.46 -3.49 119.26 132.27 1rck h ALA 86 Ca -0.30 -0.29 0.10 0.00 0.00 0.00 0.00 54.91 54.43 1rck h ALA 86 Cb 1.20 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.75 1rck h ALA 86 CO 1.10 -0.00 0.60 0.20 0.00 0.00 0.00 179.25 181.15 1rck s GLY 87 N -3.93 -0.20 0.01 0.00 0.00 -1.08 -4.98 107.32 97.16 1rck s GLY 87 Ca -0.11 2.22 -0.15 0.00 0.00 0.00 0.00 44.72 46.69 1rck s GLY 87 CO 0.40 1.12 0.42 0.00 0.00 0.00 0.00 173.10 175.04 1rck s ALA 88 N -0.96 3.69 0.12 3.20 0.00 -1.26 -1.90 121.76 124.65 1rck s ALA 88 Ca 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 51.96 51.77 1rck s ALA 88 Cb -0.01 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.67 1rck s ALA 88 CO -0.01 0.48 -0.04 0.96 0.00 0.00 0.00 175.76 177.16 1rck s ILE 89 N -1.11 0.66 -0.08 0.00 -4.36 -0.75 -2.41 121.20 113.15 1rck s ILE 89 Ca 0.25 -1.95 -0.30 0.00 -0.26 0.00 0.00 60.65 58.39 1rck s ILE 89 Cb -0.17 -1.84 0.07 0.00 1.25 0.00 0.00 42.46 41.77 1rck s ILE 89 CO 0.14 -0.72 0.68 0.28 0.24 0.00 0.00 174.94 175.56 1rck s THR 90 N -3.66 0.00 -0.12 8.37 -1.32 -0.93 -1.15 115.64 116.83 1rck s THR 90 Ca 0.16 -0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.79 1rck s THR 90 Cb 0.06 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.98 1rck s THR 90 CO -0.02 -0.00 1.09 0.45 -2.21 0.00 0.00 174.62 173.93 1rck h HIS 91 N 3.27 0.00 -0.91 9.09 -0.00 -1.70 -1.62 115.15 123.29 1rck h HIS 91 Ca -0.27 0.00 -0.67 0.00 -0.00 0.00 0.00 60.37 59.42 1rck h HIS 91 Cb 1.14 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.53 1rck h HIS 91 CO 0.38 0.58 1.42 2.41 -0.00 0.00 0.00 177.93 182.72 1rck n THR 92 N -3.05 0.15 -1.67 2.45 -1.04 -1.25 -1.70 114.28 108.17 1rck n THR 92 Ca -0.05 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1rck n THR 92 Cb 0.81 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.85 1rck n THR 92 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rck n GLY 93 N 6.68 0.56 0.00 3.41 0.00 -1.26 -4.56 105.19 110.01 1rck n GLY 93 Ca 0.44 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.99 0.00 -3.08 4.61 0.00 -0.69 -4.90 120.51 115.46 1rck n ALA 94 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1rck n ALA 94 Cb 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 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 0.00 -0.82 0.00 0.00 7.64 -1.26 -5.03 113.62 114.15 1rck n SER 95 Ca 0.00 -2.82 0.00 0.00 1.01 0.00 0.00 58.87 57.06 1rck n SER 95 Cb 0.00 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 1.67 1.10 0.10 0.23 0.00 -1.26 -2.87 105.19 104.16 1rck n GLY 96 Ca 0.19 0.37 -0.15 0.00 0.00 0.00 0.00 46.02 46.42 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 0.41 -2.84 1.61 4.21 -1.97 -3.47 115.58 113.52 1rck h ASN 97 Ca 0.00 -0.43 -0.59 0.00 1.21 0.00 0.00 56.30 56.49 1rck h ASN 97 Cb 0.00 -0.13 0.10 0.00 -1.12 0.00 0.00 38.32 37.17 1rck h ASN 97 CO 0.00 1.34 0.41 0.59 -1.29 0.00 0.00 177.43 178.47 1rck n ASN 98 N -3.53 2.25 -4.74 5.81 3.02 -1.14 -4.96 115.26 111.97 1rck n ASN 98 Ca -0.08 1.18 -0.31 0.00 -0.03 0.00 0.00 54.58 55.34 1rck n ASN 98 Cb 1.02 -1.40 -0.07 0.00 -0.61 0.00 0.00 39.78 38.71 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 -0.80 3.15 0.19 3.10 0.08 -1.26 -4.17 117.98 118.28 1rck s PHE 99 Ca 0.60 0.09 0.06 0.00 0.12 0.00 0.00 56.93 57.80 1rck s PHE 99 Cb -0.64 -1.64 -0.05 0.00 -0.57 0.00 0.00 43.02 40.12 1rck s PHE 99 CO 0.58 0.51 -0.11 0.14 -0.10 0.00 0.00 175.22 176.24 1rck s VAL 100 N -1.27 1.44 0.23 -0.44 -7.23 -0.61 -4.98 120.40 107.54 1rck s VAL 100 Ca 0.25 -2.13 -0.24 0.00 -1.81 0.00 0.00 61.98 58.05 1rck s VAL 100 Cb -0.12 -2.01 -0.09 0.00 0.56 0.00 0.00 36.38 34.72 1rck s VAL 100 CO 0.17 -0.62 0.82 -0.83 -0.31 0.00 0.00 175.10 174.34 1rck s GLY 101 N -3.26 2.83 0.42 2.32 0.00 -1.26 -2.19 107.32 106.17 1rck s GLY 101 Ca 0.21 0.38 -0.05 0.00 0.00 0.00 0.00 44.72 45.26 1rck s GLY 101 CO 0.05 0.83 0.57 0.00 0.00 0.00 0.00 173.10 174.55 1rck s SER 103 N -3.16 6.63 -0.54 0.00 0.01 -0.69 -2.67 113.70 113.27 1rck s SER 103 Ca 0.34 2.59 -0.02 0.00 1.31 0.00 0.00 55.95 60.17 1rck s SER 103 Cb -0.01 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1rck s SER 103 CO 0.23 -0.78 0.47 0.61 0.41 0.00 0.00 173.24 174.18 1rck n GLY 104 N 3.39 0.24 3.14 3.44 0.00 -1.26 -4.79 105.19 109.35 1rck n GLY 104 Ca 0.12 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.14 0.03 0.00 2.61 2.01 -1.09 -4.90 115.64 111.16 1rck s THR 105 Ca 0.15 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 61.89 1rck s THR 105 Cb -0.07 -0.42 0.00 0.00 0.01 0.00 0.00 72.50 72.02 1rck s THR 105 CO 0.31 -0.15 0.00 -3.20 -0.69 0.00 0.00 174.62 170.89