#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 -3.01 -3.40 7.33 0.00 -1.26 -4.86 120.51 115.31 1rck n ALA 3 Ca 0.00 0.67 -0.16 0.00 0.00 0.00 0.00 53.44 53.95 1rck n ALA 3 Cb 0.00 -1.21 -0.06 0.00 0.00 0.00 0.00 19.45 18.18 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 -3.58 0.02 -0.18 0.00 -1.32 -0.79 -4.89 115.64 104.90 1rck s THR 4 Ca 0.00 -0.16 0.01 0.00 -1.21 0.00 0.00 61.69 60.33 1rck s THR 4 Cb 0.00 -0.93 0.04 0.00 -1.51 0.00 0.00 72.50 70.10 1rck s THR 4 CO 0.00 -0.09 -0.10 -0.89 -2.21 0.00 0.00 174.62 171.33 1rck s THR 5 N -1.70 1.53 -0.58 5.08 2.01 -1.26 -0.94 115.64 119.78 1rck s THR 5 Ca -0.09 -0.86 -0.12 0.00 0.31 0.00 0.00 61.69 60.92 1rck s THR 5 Cb -0.01 -1.59 0.15 0.00 0.01 0.00 0.00 72.50 71.06 1rck s THR 5 CO 0.05 0.22 0.50 0.00 -0.69 0.00 0.00 174.62 174.69 1rck n GLY 7 N 4.72 1.73 0.00 0.00 0.00 -1.26 -2.36 105.19 108.03 1rck n GLY 7 Ca -0.04 0.21 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 3.62 0.03 -4.79 1.61 2.88 -1.26 -5.08 113.62 110.64 1rck n SER 8 Ca 0.00 -0.25 -0.36 0.00 -1.33 0.00 0.00 58.87 56.93 1rck n SER 8 Cb 0.00 0.18 -0.07 0.00 -0.75 0.00 0.00 64.21 63.57 1rck n SER 8 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1rck s THR 9 N -0.18 5.35 0.25 2.46 -1.32 -0.99 -5.10 115.64 116.10 1rck s THR 9 Ca 0.00 0.16 -0.03 0.00 -1.21 0.00 0.00 61.69 60.61 1rck s THR 9 Cb 0.00 -3.38 -0.05 0.00 -1.51 0.00 0.00 72.50 67.56 1rck s THR 9 CO 0.00 0.53 0.48 0.21 -2.21 0.00 0.00 174.62 173.63 1rck s ASN 10 N -0.32 6.42 -0.10 8.08 3.84 -1.26 -0.95 114.94 130.65 1rck s ASN 10 Ca 0.11 0.56 -0.04 0.00 0.21 0.00 0.00 52.86 53.70 1rck s ASN 10 Cb -0.12 -2.08 0.05 0.00 -0.55 0.00 0.00 41.25 38.55 1rck s ASN 10 CO 0.01 -0.13 0.21 -0.31 -2.79 0.00 0.00 177.10 174.09 1rck s TYR 11 N -1.99 -0.28 0.67 0.43 2.02 -0.11 -4.95 117.35 113.14 1rck s TYR 11 Ca 0.41 0.71 -0.15 0.00 -0.37 0.00 0.00 57.07 57.68 1rck s TYR 11 Cb -0.11 -0.06 0.00 0.00 -0.40 0.00 0.00 41.96 41.40 1rck s TYR 11 CO 0.30 -0.25 1.11 0.45 -1.57 0.00 0.00 175.55 175.59 1rck s SER 12 N 1.64 5.07 0.44 2.29 0.15 -1.26 -1.88 113.70 120.16 1rck s SER 12 Ca -0.05 1.97 0.30 0.00 0.70 0.00 0.00 55.95 58.87 1rck s SER 12 Cb -0.11 -2.55 1.62 0.00 -1.71 0.00 0.00 66.02 63.27 1rck s SER 12 CO -0.07 -1.65 1.92 0.00 1.20 0.00 0.00 173.24 174.63 1rck h ALA 13 N -0.07 1.00 0.02 5.45 0.00 -1.90 0.71 119.26 124.47 1rck h ALA 13 Ca -0.46 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.19 1rck h ALA 13 Cb 1.24 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.05 1rck h ALA 13 CO 0.54 0.00 -1.03 1.03 0.00 0.00 0.00 179.25 179.79 1rck h SER 14 N 0.00 0.72 0.03 0.00 0.87 -1.97 -2.54 113.55 110.66 1rck h SER 14 Ca 0.00 -0.60 -0.00 0.00 -1.23 0.00 0.00 61.79 59.96 1rck h SER 14 Cb 0.01 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1rck h SER 14 CO 0.00 1.40 -0.01 1.56 -0.53 0.00 0.00 176.83 179.25 1rck h GLN 15 N 0.30 -0.04 -0.39 2.24 1.08 -1.24 -0.05 115.11 117.00 1rck h GLN 15 Ca -0.11 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.14 1rck h GLN 15 Cb 1.68 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 29.07 1rck h GLN 15 CO 0.19 0.63 0.11 0.28 -0.95 0.00 0.00 178.83 179.09 1rck h VAL 16 N -0.77 0.84 -0.27 -0.54 2.07 -1.43 -1.93 116.25 114.22 1rck h VAL 16 Ca -0.00 -0.08 -0.14 0.00 0.82 0.00 0.00 66.70 67.29 1rck h VAL 16 Cb 0.68 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1rck h VAL 16 CO 0.01 0.05 -0.41 -0.09 0.02 0.00 0.00 177.57 177.14 1rck h ARG 17 N 0.25 0.65 0.11 1.57 2.43 -1.52 -2.41 114.38 115.45 1rck h ARG 17 Ca 0.18 -0.34 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 1rck h ARG 17 Cb 0.19 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1rck h ARG 17 CO -0.22 0.94 -0.05 0.00 -1.51 0.00 0.00 179.97 179.13 1rck h ALA 18 N 1.02 -0.14 -0.46 2.80 0.00 -0.53 0.15 119.26 122.09 1rck h ALA 18 Ca 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1rck h ALA 18 Cb 0.93 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1rck h ALA 18 CO 0.08 -0.53 0.27 0.00 0.00 0.00 0.00 179.25 179.08 1rck h ALA 19 N 0.63 1.61 0.08 0.00 0.00 -1.40 -2.05 119.26 118.15 1rck h ALA 19 Ca -0.01 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.58 1rck h ALA 19 Cb 0.20 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1rck h ALA 19 CO 0.02 0.34 -1.24 0.00 0.00 0.00 0.00 179.25 178.37 1rck h ALA 20 N 1.67 0.23 0.00 0.00 0.00 -1.15 -1.32 119.26 118.69 1rck h ALA 20 Ca 0.17 -0.96 -0.04 0.00 0.00 0.00 0.00 54.91 54.08 1rck h ALA 20 Cb -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1rck h ALA 20 CO -0.03 1.11 -0.17 -0.97 0.00 0.00 0.00 179.25 179.19 1rck h ASN 21 N 0.05 0.00 0.00 0.00 -1.24 -0.50 0.04 115.58 113.92 1rck h ASN 21 Ca -0.12 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.88 1rck h ASN 21 Cb 1.92 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.97 1rck h ASN 21 CO 0.17 0.17 -0.07 0.00 -1.29 0.00 0.00 177.43 176.41 1rck h ALA 22 N 1.83 0.01 -1.00 1.57 0.00 -1.33 -2.86 119.26 117.48 1rck h ALA 22 Ca -0.00 -0.38 0.22 0.00 0.00 0.00 0.00 54.91 54.75 1rck h ALA 22 Cb 0.63 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 1rck h ALA 22 CO 0.02 0.04 0.62 0.00 0.00 0.00 0.00 179.25 179.94 1rck h ALA 23 N -0.34 1.90 0.53 0.00 0.00 -1.10 0.16 119.26 120.43 1rck h ALA 23 Ca -0.02 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1rck h ALA 23 Cb 0.71 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1rck h ALA 23 CO -0.01 -0.30 -0.26 0.00 0.00 0.00 0.00 179.25 178.69 1rck h GLN 25 N -0.73 0.09 0.00 0.00 4.20 -1.06 -3.31 115.11 114.31 1rck h GLN 25 Ca -0.07 -0.05 -0.20 0.00 0.06 0.00 0.00 58.65 58.39 1rck h GLN 25 Cb 0.56 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 1rck h GLN 25 CO 0.12 0.58 -1.51 0.66 -0.67 0.00 0.00 178.83 178.01 1rck n TYR 26 N -3.94 0.95 0.08 2.96 4.01 0.48 -4.06 117.16 117.65 1rck n TYR 26 Ca -0.02 0.32 0.03 0.00 -0.16 0.00 0.00 57.90 58.08 1rck n TYR 26 Cb 0.53 -1.10 0.43 0.00 -0.31 0.00 0.00 39.34 38.89 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 0.34 0.00 -0.72 3.20 -0.87 -1.21 116.97 117.71 1rck h TYR 27 Ca -0.20 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.66 1rck h TYR 27 Cb 1.69 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.85 1rck h TYR 27 CO 0.00 0.32 0.03 1.96 -1.64 0.00 0.00 178.16 178.83 1rck h GLN 28 N 0.34 0.00 -3.41 1.82 4.20 -1.70 -3.46 115.11 112.89 1rck h GLN 28 Ca 0.08 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 1rck h GLN 28 Cb 0.16 0.00 0.04 0.00 0.30 0.00 0.00 27.48 27.98 1rck h GLN 28 CO -0.00 0.00 -0.17 -1.71 -0.67 0.00 0.00 178.83 176.28 1rck n ASN 29 N -2.91 -2.83 -2.08 1.46 5.15 -0.46 -5.01 115.26 108.59 1rck n ASN 29 Ca -0.03 -0.14 0.00 0.00 -0.60 0.00 0.00 54.58 53.82 1rck n ASN 29 Cb 0.09 -1.42 0.03 0.00 -0.53 0.00 0.00 39.78 37.95 1rck n ASN 29 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1rck n ASP 30 N -1.80 0.63 -3.65 1.20 8.00 -1.26 -5.05 116.55 114.62 1rck n ASP 30 Ca -0.02 -2.04 0.00 0.00 0.71 0.00 0.00 54.79 53.45 1rck n ASP 30 Cb 0.52 -0.16 -0.06 0.00 -0.02 0.00 0.00 41.12 41.40 1rck n ASP 30 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1rck s ASP 31 N -2.42 -0.22 -1.10 -2.24 1.01 -1.26 -4.95 116.67 105.49 1rck s ASP 31 Ca 0.24 0.36 -0.19 0.00 0.71 0.00 0.00 52.55 53.67 1rck s ASP 31 Cb 0.32 1.02 0.10 0.00 1.01 0.00 0.00 42.92 45.37 1rck s ASP 31 CO -0.09 -0.06 1.43 0.42 0.21 0.00 0.00 175.17 177.08 1rck s THR 32 N 1.05 4.39 0.00 -1.27 -4.23 -1.26 -4.84 115.64 109.48 1rck s THR 32 Ca -0.07 -1.61 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 1rck s THR 32 Cb -0.03 -4.99 0.00 0.00 1.34 0.00 0.00 72.50 68.82 1rck s THR 32 CO -0.12 -1.79 0.00 0.00 -0.54 0.00 0.00 174.62 172.18 1rck n ALA 33 N 7.54 0.00 -0.27 3.99 0.00 -1.26 -4.89 120.51 125.62 1rck n ALA 33 Ca 0.35 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.81 1rck n ALA 33 Cb 0.48 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.03 1rck n ALA 33 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1rck h GLY 34 N -0.01 0.59 0.00 0.00 0.00 -1.81 -3.46 103.07 98.38 1rck h GLY 34 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1rck h GLY 34 CO 0.00 -0.30 0.00 -1.26 0.00 0.00 0.00 176.54 174.98 1rck n SER 35 N -5.50 -1.24 0.21 0.19 2.88 -0.86 -4.88 113.62 104.43 1rck n SER 35 Ca 0.11 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.56 1rck n SER 35 Cb 0.41 -1.82 -0.04 0.00 -0.75 0.00 0.00 64.21 62.00 1rck n SER 35 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1rck h SER 36 N 0.00 -0.48 0.00 -3.46 0.02 -1.96 -3.43 113.55 104.24 1rck h SER 36 Ca 0.00 0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 60.79 1rck h SER 36 Cb 0.16 0.12 -0.15 0.00 0.14 0.00 0.00 62.40 62.68 1rck h SER 36 CO 0.00 -0.21 -0.28 1.07 -1.14 0.00 0.00 176.83 176.26 1rck n THR 37 N -4.26 0.00 -3.47 -2.27 5.66 -1.26 -5.08 114.28 103.60 1rck n THR 37 Ca -0.07 -1.11 -0.03 0.00 -3.05 0.00 0.00 64.05 59.79 1rck n THR 37 Cb 0.22 0.99 -0.05 0.00 -1.55 0.00 0.00 70.33 69.94 1rck n THR 37 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1rck s TYR 38 N 0.15 -1.18 0.55 1.09 1.51 -1.26 -4.09 117.35 114.12 1rck s TYR 38 Ca 0.12 1.71 -0.19 0.00 -1.01 0.00 0.00 57.07 57.70 1rck s TYR 38 Cb 0.43 0.48 -0.05 0.00 -0.11 0.00 0.00 41.96 42.70 1rck s TYR 38 CO -0.12 -0.68 1.12 -2.14 -1.11 0.00 0.00 175.55 172.62 1rck s PRO 39 N 2.75 3.34 -0.19 -1.71 0.02 -1.26 -2.02 135.00 135.94 1rck s PRO 39 Ca 0.05 1.56 -0.28 0.00 0.02 0.00 0.00 61.00 62.36 1rck s PRO 39 Cb -0.13 -2.01 0.10 0.00 0.02 0.00 0.00 34.50 32.48 1rck s PRO 39 CO -0.17 -0.85 0.86 -3.38 -0.33 0.00 0.00 177.00 173.12 1rck s HIS 40 N -1.85 -0.57 0.52 6.54 -3.43 -1.26 -5.00 115.29 110.24 1rck s HIS 40 Ca 0.72 1.20 -0.23 0.00 -0.80 0.00 0.00 55.06 55.95 1rck s HIS 40 Cb -0.23 0.37 -0.06 0.00 -1.43 0.00 0.00 32.58 31.24 1rck s HIS 40 CO 0.28 -0.39 1.38 0.99 -2.00 0.00 0.00 174.74 175.00 1rck s THR 41 N -0.44 2.05 -0.41 -5.38 2.01 -1.26 -2.58 115.64 109.63 1rck s THR 41 Ca -0.03 0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.05 1rck s THR 41 Cb -0.03 -3.02 0.16 0.00 0.01 0.00 0.00 72.50 69.63 1rck s THR 41 CO 0.02 0.00 0.39 -0.47 -0.69 0.00 0.00 174.62 173.87 1rck s TYR 42 N -1.27 0.22 0.00 4.92 5.04 -0.87 -4.87 117.35 120.52 1rck s TYR 42 Ca 0.69 -1.53 0.00 0.00 -2.44 0.00 0.00 57.07 53.79 1rck s TYR 42 Cb -0.42 -0.58 0.00 0.00 0.35 0.00 0.00 41.96 41.32 1rck s TYR 42 CO 0.50 -0.94 0.00 -1.71 -1.34 0.00 0.00 175.55 172.06 1rck n ASN 43 N 3.43 0.00 0.00 4.32 2.85 -1.26 -4.38 115.26 120.21 1rck n ASN 43 Ca 0.20 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.67 1rck n ASN 43 Cb 0.47 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.49 1rck n ASN 43 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1rck n ASN 44 N 0.00 -1.21 -3.15 1.20 4.13 -1.26 -4.86 115.26 110.11 1rck n ASN 44 Ca 0.00 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.31 1rck n ASN 44 Cb 0.00 -1.72 -0.01 0.00 -1.54 0.00 0.00 39.78 36.51 1rck n ASN 44 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1rck s TYR 45 N -1.98 -1.26 -1.44 3.10 6.14 -1.26 -5.08 117.35 115.57 1rck s TYR 45 Ca 0.00 1.07 -0.13 0.00 0.64 0.00 0.00 57.07 58.64 1rck s TYR 45 Cb 0.00 0.34 0.05 0.00 0.42 0.00 0.00 41.96 42.77 1rck s TYR 45 CO 0.00 -0.71 2.20 0.39 0.64 0.00 0.00 175.55 178.08 1rck n GLU 46 N 5.39 2.94 -0.10 4.97 1.02 -1.26 -4.70 120.64 128.89 1rck n GLU 46 Ca 0.01 -2.69 0.02 0.00 -0.02 0.00 0.00 57.16 54.48 1rck n GLU 46 Cb 0.53 -3.25 0.07 0.00 -0.02 0.00 0.00 31.44 28.78 1rck n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rck n GLY 47 N 3.96 0.15 3.50 0.62 0.00 -1.26 -4.87 105.19 107.28 1rck n GLY 47 Ca 0.51 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.71 -0.30 -0.20 1.61 0.08 -1.26 -5.12 117.98 111.08 1rck s PHE 48 Ca 0.11 -0.01 -0.01 0.00 0.12 0.00 0.00 56.93 57.14 1rck s PHE 48 Cb 0.06 0.48 0.01 0.00 -0.57 0.00 0.00 43.02 42.99 1rck s PHE 48 CO 0.07 -0.90 -0.12 -0.51 -0.10 0.00 0.00 175.22 173.65 1rck s ASP 49 N -2.82 3.73 0.08 1.36 1.01 -1.26 -5.11 116.67 113.66 1rck s ASP 49 Ca 0.05 -0.54 0.02 0.00 0.71 0.00 0.00 52.55 52.79 1rck s ASP 49 Cb -0.01 -1.61 -0.04 0.00 1.01 0.00 0.00 42.92 42.27 1rck s ASP 49 CO -0.07 -0.02 -0.07 -0.36 0.21 0.00 0.00 175.17 174.87 1rck s PHE 50 N 1.38 0.81 0.99 4.23 0.08 -1.26 -4.63 117.98 119.58 1rck s PHE 50 Ca 0.05 -0.78 -0.11 0.00 0.12 0.00 0.00 56.93 56.21 1rck s PHE 50 Cb -0.14 -0.48 0.19 0.00 -0.57 0.00 0.00 43.02 42.02 1rck s PHE 50 CO -0.08 -0.13 1.10 -1.25 -0.10 0.00 0.00 175.22 174.76 1rck s PRO 51 N -3.10 0.45 2.40 0.24 0.04 -1.26 -4.80 135.00 128.97 1rck s PRO 51 Ca 0.05 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1rck s PRO 51 Cb 0.00 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.86 1rck s PRO 51 CO -0.03 -2.92 0.00 1.33 0.04 0.00 0.00 177.00 175.42 1rck n VAL 52 N -4.41 0.00 0.11 -0.36 0.24 -1.26 -4.64 118.33 108.01 1rck n VAL 52 Ca 0.08 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.42 1rck n VAL 52 Cb 0.53 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.84 1rck n VAL 52 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1rck n ASP 53 N -2.96 2.34 0.00 -1.34 5.68 -1.26 -5.14 116.55 113.87 1rck n ASP 53 Ca 0.00 -0.21 0.00 0.00 -0.50 0.00 0.00 54.79 54.08 1rck n ASP 53 Cb 0.00 1.25 0.00 0.00 -1.14 0.00 0.00 41.12 41.23 1rck n ASP 53 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rck n GLY 54 N 1.79 -1.24 2.35 6.12 0.00 -1.26 -4.93 105.19 108.02 1rck n GLY 54 Ca -0.01 -1.74 -0.22 0.00 0.00 0.00 0.00 46.02 44.06 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 0.00 -3.57 -3.80 1.61 -0.02 -1.26 -4.85 135.00 123.10 1rck n PRO 55 Ca 0.00 -1.12 -0.11 0.00 -2.02 0.00 0.00 63.50 60.26 1rck n PRO 55 Cb 0.00 -1.30 -0.08 0.00 -0.02 0.00 0.00 33.50 32.10 1rck n PRO 55 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1rck s TYR 56 N -2.00 -0.01 0.04 6.00 2.02 -1.26 -2.79 117.35 119.34 1rck s TYR 56 Ca 0.49 -0.19 0.04 0.00 -0.37 0.00 0.00 57.07 57.04 1rck s TYR 56 Cb -0.07 0.03 -0.02 0.00 -0.40 0.00 0.00 41.96 41.49 1rck s TYR 56 CO 0.40 -0.47 -0.11 -0.65 -1.57 0.00 0.00 175.55 173.14 1rck s GLN 57 N -2.67 0.75 0.43 -0.62 -0.21 -0.82 -2.05 119.66 114.48 1rck s GLN 57 Ca -0.04 -0.71 -0.08 0.00 0.02 0.00 0.00 55.36 54.54 1rck s GLN 57 Cb -0.01 -0.69 -0.05 0.00 1.00 0.00 0.00 33.01 33.26 1rck s GLN 57 CO -0.04 0.16 0.78 -1.21 -2.12 0.00 0.00 175.29 172.86 1rck s GLU 58 N -1.21 3.68 -0.25 2.91 2.02 -1.06 -2.24 118.70 122.55 1rck s GLU 58 Ca -0.02 0.36 -0.02 0.00 0.02 0.00 0.00 54.97 55.31 1rck s GLU 58 Cb -0.08 -2.38 0.14 0.00 0.10 0.00 0.00 34.13 31.91 1rck s GLU 58 CO 0.01 -0.11 0.41 0.12 0.02 0.00 0.00 175.26 175.71 1rck s PHE 59 N -2.52 -0.94 -0.07 1.61 5.36 -0.72 -4.30 117.98 116.39 1rck s PHE 59 Ca 0.50 0.94 -0.25 0.00 -0.96 0.00 0.00 56.93 57.16 1rck s PHE 59 Cb -0.10 0.09 -0.03 0.00 -0.34 0.00 0.00 43.02 42.64 1rck s PHE 59 CO 0.37 -0.75 0.77 -1.25 -1.46 0.00 0.00 175.22 172.90 1rck s PRO 60 N 2.59 4.43 0.47 10.12 0.04 -1.26 -1.48 135.00 149.91 1rck s PRO 60 Ca 0.14 0.98 0.05 0.00 0.04 0.00 0.00 61.00 62.22 1rck s PRO 60 Cb -0.15 -3.47 0.02 0.00 0.04 0.00 0.00 34.50 30.93 1rck s PRO 60 CO -0.17 -0.03 0.65 -1.50 0.04 0.00 0.00 177.00 176.00 1rck s ILE 61 N 1.08 2.86 -0.30 0.56 2.07 -0.69 -3.57 121.20 123.21 1rck s ILE 61 Ca 0.40 -0.87 -0.05 0.00 -1.41 0.00 0.00 60.65 58.72 1rck s ILE 61 Cb -0.18 -2.99 0.17 0.00 0.13 0.00 0.00 42.46 39.59 1rck s ILE 61 CO 0.19 0.00 0.64 -0.54 -1.91 0.00 0.00 174.94 173.32 1rck s LYS 62 N -4.51 0.55 0.00 3.50 1.02 -1.25 -4.51 119.74 114.54 1rck s LYS 62 Ca 0.56 1.12 0.00 0.00 0.02 0.00 0.00 55.97 57.68 1rck s LYS 62 Cb -0.10 0.65 0.00 0.00 -0.52 0.00 0.00 37.83 37.86 1rck s LYS 62 CO 0.35 -0.46 0.00 -1.13 -0.92 0.00 0.00 175.35 173.20 1rck n SER 63 N 5.43 0.00 -1.17 2.83 3.41 -1.26 -0.89 113.62 121.96 1rck n SER 63 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1rck n SER 63 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 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 -0.54 -0.08 3.26 5.00 0.00 -1.26 -5.11 105.19 106.46 1rck n GLY 64 Ca 0.00 -0.31 0.03 0.00 0.00 0.00 0.00 46.02 45.75 1rck n GLY 64 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rck s GLY 65 N -1.90 -0.43 0.12 -0.02 0.00 -0.07 -5.16 107.32 99.86 1rck s GLY 65 Ca 0.00 2.67 -0.25 0.00 0.00 0.00 0.00 44.72 47.14 1rck s GLY 65 CO 0.00 3.50 0.78 0.14 0.00 0.00 0.00 173.10 177.52 1rck s VAL 66 N 2.76 4.50 -1.35 1.40 1.01 -1.26 -3.78 120.40 123.68 1rck s VAL 66 Ca 0.03 1.70 -0.09 0.00 0.00 0.00 0.00 61.98 63.62 1rck s VAL 66 Cb -0.10 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1rck s VAL 66 CO -0.16 0.46 0.46 0.00 0.00 0.00 0.00 175.10 175.86 1rck n TYR 67 N 2.09 -1.60 0.00 5.22 4.11 -1.26 -4.87 117.16 120.84 1rck n TYR 67 Ca -0.04 0.57 0.00 0.00 -0.00 0.00 0.00 57.90 58.43 1rck n TYR 67 Cb 0.49 -3.39 0.00 0.00 -0.00 0.00 0.00 39.34 36.44 1rck n TYR 67 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 1rck n THR 68 N -4.48 0.00 -1.79 -3.48 -2.24 -1.26 -4.57 114.28 96.46 1rck n THR 68 Ca -0.24 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.17 1rck n THR 68 Cb 0.65 -0.43 0.06 0.00 -2.10 0.00 0.00 70.33 68.51 1rck n THR 68 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1rck s GLY 69 N -2.55 2.85 0.00 3.38 0.00 -1.23 -4.77 107.32 105.00 1rck s GLY 69 Ca 0.00 1.20 0.00 0.00 0.00 0.00 0.00 44.72 45.92 1rck s GLY 69 CO 0.00 1.63 0.00 0.61 0.00 0.00 0.00 173.10 175.34 1rck n GLY 70 N 0.82 -1.83 2.95 0.20 0.00 -1.26 -4.80 105.19 101.27 1rck n GLY 70 Ca 0.15 0.62 -0.07 0.00 0.00 0.00 0.00 46.02 46.72 1rck n GLY 70 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rck s SER 71 N -1.93 0.04 0.85 1.61 0.15 -1.26 -3.71 113.70 109.45 1rck s SER 71 Ca 0.00 0.03 -0.12 0.00 0.70 0.00 0.00 55.95 56.56 1rck s SER 71 Cb 0.00 1.27 0.09 0.00 -1.71 0.00 0.00 66.02 65.67 1rck s SER 71 CO 0.00 -0.32 1.04 -2.65 1.20 0.00 0.00 173.24 172.51 1rck n PRO 72 N 5.37 -0.06 0.00 5.44 -0.02 -1.26 -5.18 135.00 139.29 1rck n PRO 72 Ca -0.01 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1rck n PRO 72 Cb 0.50 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1rck n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rck n GLY 73 N 0.66 0.73 5.00 -1.23 0.00 -1.24 -4.77 105.19 104.33 1rck n GLY 73 Ca 0.12 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -3.00 0.00 -2.17 4.61 0.00 -1.26 -4.91 120.51 113.79 1rck n ALA 74 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1rck n ALA 74 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1rck n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rck s ASP 75 N 0.00 6.79 -0.15 0.00 1.11 -1.26 -2.45 116.67 120.71 1rck s ASP 75 Ca 0.00 2.08 -0.17 0.00 0.18 0.00 0.00 52.55 54.65 1rck s ASP 75 Cb 0.00 -2.54 0.04 0.00 1.07 0.00 0.00 42.92 41.49 1rck s ASP 75 CO 0.00 -0.82 0.45 0.00 1.18 0.00 0.00 175.17 175.98 1rck s ARG 76 N 3.32 0.58 0.11 8.23 1.70 -0.65 -1.71 118.95 130.53 1rck s ARG 76 Ca 0.66 0.52 -0.02 0.00 -0.47 0.00 0.00 55.73 56.42 1rck s ARG 76 Cb -0.30 0.28 -0.05 0.00 -0.57 0.00 0.00 34.95 34.31 1rck s ARG 76 CO 0.25 -0.09 0.30 0.14 -1.08 0.00 0.00 175.30 174.82 1rck s VAL 77 N -0.01 5.27 -0.11 4.99 -7.23 -0.55 -1.71 120.40 121.05 1rck s VAL 77 Ca -0.02 -0.18 -0.01 0.00 -1.81 0.00 0.00 61.98 59.96 1rck s VAL 77 Cb -0.03 -3.63 0.03 0.00 0.56 0.00 0.00 36.38 33.31 1rck s VAL 77 CO 0.02 0.08 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.15 1rck s VAL 78 N -1.60 0.78 0.38 1.32 1.01 -0.24 -1.76 120.40 120.30 1rck s VAL 78 Ca 0.38 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.25 1rck s VAL 78 Cb -0.12 -0.89 -0.00 0.00 0.00 0.00 0.00 36.38 35.37 1rck s VAL 78 CO 0.26 0.28 0.51 0.27 0.00 0.00 0.00 175.10 176.42 1rck s ILE 79 N 1.80 3.46 0.73 2.22 -4.36 -0.95 -2.13 121.20 121.98 1rck s ILE 79 Ca 0.04 -1.03 -0.09 0.00 -0.26 0.00 0.00 60.65 59.31 1rck s ILE 79 Cb -0.13 -3.18 0.05 0.00 1.25 0.00 0.00 42.46 40.45 1rck s ILE 79 CO -0.07 -0.07 1.08 0.21 0.24 0.00 0.00 174.94 176.32 1rck s ASN 80 N -4.25 4.92 0.00 4.36 3.84 0.46 -1.94 114.94 122.33 1rck s ASN 80 Ca 0.50 0.74 -0.03 0.00 0.21 0.00 0.00 52.86 54.28 1rck s ASN 80 Cb -0.09 -1.40 -0.14 0.00 -0.55 0.00 0.00 41.25 39.07 1rck s ASN 80 CO 0.32 -1.59 2.54 0.41 -2.79 0.00 0.00 177.10 175.98 1rck n THR 81 N -3.04 2.16 0.00 -5.21 -1.04 -1.12 -4.05 114.28 101.98 1rck n THR 81 Ca 0.07 -0.92 0.00 0.00 -2.04 0.00 0.00 64.05 61.16 1rck n THR 81 Cb 0.60 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 1rck n THR 81 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1rck n ASN 82 N 2.21 0.00 -2.72 8.00 5.15 -1.26 -5.04 115.26 121.59 1rck n ASN 82 Ca 0.22 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 54.12 1rck n ASN 82 Cb 0.63 0.00 0.08 0.00 -0.53 0.00 0.00 39.78 39.96 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 0.33 0.25 -0.30 0.00 -6.30 -1.26 -4.96 118.70 106.46 1rck s GLU 84 Ca 0.25 0.62 -0.27 0.00 -2.50 0.00 0.00 54.97 53.06 1rck s GLU 84 Cb 0.27 -0.36 -0.05 0.00 0.00 0.00 0.00 34.13 33.99 1rck s GLU 84 CO -0.12 -0.47 2.25 -0.47 0.02 0.00 0.00 175.26 176.47 1rck s TYR 85 N 2.47 1.16 -0.02 5.30 5.04 -1.26 -0.41 117.35 129.64 1rck s TYR 85 Ca 0.06 0.82 -0.00 0.00 -2.44 0.00 0.00 57.07 55.50 1rck s TYR 85 Cb -0.14 -3.84 -0.00 0.00 0.35 0.00 0.00 41.96 38.33 1rck s TYR 85 CO -0.12 -3.63 -0.01 0.00 -1.34 0.00 0.00 175.55 170.46 1rck h ALA 86 N 16.21 0.00 -2.99 3.97 0.00 -1.74 -3.48 119.26 131.24 1rck h ALA 86 Ca -0.36 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.54 1rck h ALA 86 Cb 1.24 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 1rck h ALA 86 CO 1.02 0.02 0.20 0.20 0.00 0.00 0.00 179.25 180.68 1rck s GLY 87 N -2.38 -0.08 0.07 0.00 0.00 -1.05 -4.38 107.32 99.51 1rck s GLY 87 Ca -0.01 -0.30 0.08 0.00 0.00 0.00 0.00 44.72 44.49 1rck s GLY 87 CO 0.01 -0.12 -0.22 0.00 0.00 0.00 0.00 173.10 172.77 1rck s ALA 88 N -3.92 1.88 0.15 3.20 0.00 -1.26 -1.07 121.76 120.73 1rck s ALA 88 Ca 0.11 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 50.90 1rck s ALA 88 Cb -0.05 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 1rck s ALA 88 CO 0.06 0.41 0.06 0.96 0.00 0.00 0.00 175.76 177.25 1rck s ILE 89 N -0.92 0.16 -0.06 0.00 -4.36 -0.69 -2.36 121.20 112.98 1rck s ILE 89 Ca 0.08 -1.93 -0.24 0.00 -0.26 0.00 0.00 60.65 58.30 1rck s ILE 89 Cb -0.09 -2.13 0.05 0.00 1.25 0.00 0.00 42.46 41.53 1rck s ILE 89 CO 0.03 -0.39 0.54 0.28 0.24 0.00 0.00 174.94 175.64 1rck s THR 90 N -4.01 0.02 -2.00 8.37 -1.32 -0.41 -1.63 115.64 114.65 1rck s THR 90 Ca 0.27 -0.16 0.16 0.00 -1.21 0.00 0.00 61.69 60.75 1rck s THR 90 Cb 0.07 -0.85 0.46 0.00 -1.51 0.00 0.00 72.50 70.68 1rck s THR 90 CO 0.04 -0.09 1.59 1.41 -2.21 0.00 0.00 174.62 175.36 1rck n HIS 91 N 1.28 0.00 -0.21 9.09 -0.00 -1.02 -1.85 115.22 122.50 1rck n HIS 91 Ca -0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.52 1rck n HIS 91 Cb 0.57 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.62 1rck n HIS 91 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.34 177.49 1rck h THR 92 N 0.00 0.39 -0.57 1.59 2.02 -1.92 -2.07 112.91 112.35 1rck h THR 92 Ca 0.00 -0.00 -0.34 0.00 0.77 0.00 0.00 66.41 66.84 1rck h THR 92 Cb 0.00 0.39 -0.20 0.00 -1.74 0.00 0.00 68.15 66.59 1rck h THR 92 CO 0.00 0.00 0.02 0.61 0.37 0.00 0.00 175.52 176.52 1rck n GLY 93 N -1.42 5.20 3.75 2.16 0.00 -1.26 -5.01 105.19 108.61 1rck n GLY 93 Ca 0.07 -1.55 -0.23 0.00 0.00 0.00 0.00 46.02 44.31 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 -3.39 3.57 -0.99 4.61 0.00 -0.78 -4.78 121.76 120.00 1rck s ALA 94 Ca 0.50 -1.88 -0.02 0.00 0.00 0.00 0.00 51.96 50.56 1rck s ALA 94 Cb 0.43 -0.70 0.31 0.00 0.00 0.00 0.00 23.12 23.16 1rck s ALA 94 CO 0.01 -0.03 1.44 0.45 0.00 0.00 0.00 175.76 177.63 1rck n SER 95 N -1.21 6.20 0.00 0.00 2.88 -1.26 -4.95 113.62 115.28 1rck n SER 95 Ca -0.02 -3.49 0.00 0.00 -1.33 0.00 0.00 58.87 54.03 1rck n SER 95 Cb 0.62 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 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 0.91 1.22 0.00 0.46 0.00 -1.26 -4.12 105.19 102.39 1rck n GLY 96 Ca 0.31 -0.68 0.14 0.00 0.00 0.00 0.00 46.02 45.79 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 3.99 0.00 -3.44 1.61 4.13 -1.26 -4.86 115.26 115.43 1rck n ASN 97 Ca 0.00 0.38 -0.30 0.00 1.68 0.00 0.00 54.58 56.34 1rck n ASN 97 Cb 0.00 -0.46 0.26 0.00 -1.54 0.00 0.00 39.78 38.04 1rck n ASN 97 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1rck n ASN 98 N -1.46 -2.71 -4.02 6.41 5.15 -1.26 -5.03 115.26 112.34 1rck n ASN 98 Ca 0.08 -1.07 -0.10 0.00 -0.60 0.00 0.00 54.58 52.89 1rck n ASN 98 Cb 0.31 -0.98 -0.07 0.00 -0.53 0.00 0.00 39.78 38.51 1rck n ASN 98 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1rck s PHE 99 N -2.69 0.54 0.07 1.20 0.08 -1.26 -4.50 117.98 111.42 1rck s PHE 99 Ca 0.69 -0.88 -0.01 0.00 0.12 0.00 0.00 56.93 56.85 1rck s PHE 99 Cb -0.08 -0.07 -0.04 0.00 -0.57 0.00 0.00 43.02 42.25 1rck s PHE 99 CO 0.54 -0.80 -0.03 0.14 -0.10 0.00 0.00 175.22 174.97 1rck s VAL 100 N -4.03 0.30 0.23 -0.44 -7.23 -0.77 -4.80 120.40 103.65 1rck s VAL 100 Ca 0.24 -1.84 -0.10 0.00 -1.81 0.00 0.00 61.98 58.46 1rck s VAL 100 Cb 0.03 -1.60 -0.07 0.00 0.56 0.00 0.00 36.38 35.30 1rck s VAL 100 CO 0.06 -0.93 0.55 -0.83 -0.31 0.00 0.00 175.10 173.64 1rck s GLY 101 N -2.95 2.30 0.15 2.32 0.00 -1.26 -1.29 107.32 106.58 1rck s GLY 101 Ca 0.09 -0.25 0.02 0.00 0.00 0.00 0.00 44.72 44.58 1rck s GLY 101 CO -0.08 -0.10 0.30 0.00 0.00 0.00 0.00 173.10 173.22 1rck n SER 103 N -0.49 -1.12 -3.08 0.00 3.41 -0.37 -1.28 113.62 110.69 1rck n SER 103 Ca -0.06 -0.66 -0.14 0.00 -0.26 0.00 0.00 58.87 57.75 1rck n SER 103 Cb 0.54 -0.99 0.07 0.00 -0.26 0.00 0.00 64.21 63.57 1rck n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rck n GLY 104 N -0.79 -0.41 1.05 5.00 0.00 -1.26 -4.91 105.19 103.88 1rck n GLY 104 Ca 0.07 0.13 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.54 1.08 0.32 2.61 5.66 -0.41 -5.15 114.28 114.85 1rck n THR 105 Ca -0.20 -0.15 0.04 0.00 -3.05 0.00 0.00 64.05 60.68 1rck n THR 105 Cb 0.64 -0.91 0.03 0.00 -1.55 0.00 0.00 70.33 68.54 1rck n THR 105 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61