#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 -1.78 -3.48 -1.46 0.00 -1.26 -4.83 120.51 107.70 1rck n ALA 3 Ca 0.00 0.43 -0.13 0.00 0.00 0.00 0.00 53.44 53.74 1rck n ALA 3 Cb 0.00 -0.91 -0.09 0.00 0.00 0.00 0.00 19.45 18.45 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 -4.07 -0.00 -0.19 0.00 -1.32 -0.64 -4.88 115.64 104.54 1rck s THR 4 Ca 0.00 0.01 -0.02 0.00 -1.21 0.00 0.00 61.69 60.48 1rck s THR 4 Cb 0.00 -0.73 -0.00 0.00 -1.51 0.00 0.00 72.50 70.26 1rck s THR 4 CO 0.00 0.01 -0.11 -0.89 -2.21 0.00 0.00 174.62 171.42 1rck s THR 5 N 0.54 2.90 -0.99 5.08 2.01 -1.26 -0.96 115.64 122.96 1rck s THR 5 Ca -0.02 -0.67 -0.05 0.00 0.31 0.00 0.00 61.69 61.26 1rck s THR 5 Cb -0.04 -2.27 0.25 0.00 0.01 0.00 0.00 72.50 70.44 1rck s THR 5 CO -0.03 0.48 0.93 0.00 -0.69 0.00 0.00 174.62 175.31 1rck n GLY 7 N 2.48 1.77 0.17 0.00 0.00 -1.26 -2.69 105.19 105.66 1rck n GLY 7 Ca 0.23 0.18 -0.05 0.00 0.00 0.00 0.00 46.02 46.37 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 4.76 2.92 -4.55 1.61 2.88 -1.26 -4.94 113.62 115.04 1rck n SER 8 Ca 0.00 -0.01 -0.38 0.00 -1.33 0.00 0.00 58.87 57.14 1rck n SER 8 Cb 0.00 -0.13 -0.03 0.00 -0.75 0.00 0.00 64.21 63.30 1rck n SER 8 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1rck s THR 9 N -2.13 3.32 0.47 2.46 2.01 -1.09 -4.97 115.64 115.70 1rck s THR 9 Ca -0.09 0.19 -0.19 0.00 0.31 0.00 0.00 61.69 61.91 1rck s THR 9 Cb 0.03 -3.85 -0.10 0.00 0.01 0.00 0.00 72.50 68.59 1rck s THR 9 CO 0.15 -0.82 0.96 0.54 -0.69 0.00 0.00 174.62 174.76 1rck s ASN 10 N 8.44 6.80 -0.02 3.53 2.20 -1.26 -2.03 114.94 132.59 1rck s ASN 10 Ca 0.70 1.63 0.00 0.00 -0.94 0.00 0.00 52.86 54.26 1rck s ASN 10 Cb -0.13 -2.53 0.03 0.00 -2.00 0.00 0.00 41.25 36.62 1rck s ASN 10 CO 0.21 -0.46 0.01 -0.31 -2.94 0.00 0.00 177.10 173.62 1rck s TYR 11 N -2.38 0.15 0.66 1.54 2.02 -0.13 -4.92 117.35 114.29 1rck s TYR 11 Ca 0.61 0.06 -0.14 0.00 -0.37 0.00 0.00 57.07 57.23 1rck s TYR 11 Cb -0.09 -0.29 -0.00 0.00 -0.40 0.00 0.00 41.96 41.18 1rck s TYR 11 CO 0.21 -0.09 1.08 -1.12 -1.57 0.00 0.00 175.55 174.06 1rck s SER 12 N 0.92 5.30 0.64 2.29 0.01 -1.26 -1.61 113.70 120.00 1rck s SER 12 Ca -0.08 1.85 0.41 0.00 1.31 0.00 0.00 55.95 59.43 1rck s SER 12 Cb -0.12 -2.53 2.24 0.00 0.21 0.00 0.00 66.02 65.82 1rck s SER 12 CO -0.02 -1.49 2.33 0.00 0.41 0.00 0.00 173.24 174.46 1rck h ALA 13 N -0.11 1.13 -0.30 1.44 0.00 -1.90 -0.08 119.26 119.44 1rck h ALA 13 Ca -0.46 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.28 1rck h ALA 13 Cb 1.23 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1rck h ALA 13 CO 0.55 0.00 -0.47 0.77 0.00 0.00 0.00 179.25 180.11 1rck h SER 14 N 0.00 0.93 -0.06 0.00 0.02 -1.98 -2.05 113.55 110.41 1rck h SER 14 Ca -0.00 -0.52 -0.01 0.00 -0.84 0.00 0.00 61.79 60.42 1rck h SER 14 Cb 0.03 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 1rck h SER 14 CO 0.00 1.26 -0.00 -0.61 -1.14 0.00 0.00 176.83 176.34 1rck h GLN 15 N 0.62 0.10 -0.07 3.45 5.75 -1.37 -0.23 115.11 123.35 1rck h GLN 15 Ca 0.03 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1rck h GLN 15 Cb 1.07 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.61 1rck h GLN 15 CO 0.11 0.39 0.04 0.28 -2.65 0.00 0.00 178.83 177.01 1rck h VAL 16 N -0.20 1.01 -0.50 2.39 2.07 -1.50 -1.17 116.25 118.34 1rck h VAL 16 Ca 0.02 -0.03 -0.12 0.00 0.82 0.00 0.00 66.70 67.38 1rck h VAL 16 Cb 0.35 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1rck h VAL 16 CO 0.00 0.02 -0.17 0.03 0.02 0.00 0.00 177.57 177.47 1rck h ARG 17 N 0.09 1.00 -0.00 1.57 3.08 -1.39 -0.87 114.38 117.86 1rck h ARG 17 Ca 0.03 -0.40 -0.00 0.00 0.07 0.00 0.00 59.98 59.67 1rck h ARG 17 Cb -0.01 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 1rck h ARG 17 CO -0.01 1.08 0.00 0.00 -1.07 0.00 0.00 179.97 179.98 1rck h ALA 18 N 0.89 0.00 -0.88 0.04 0.00 -0.93 -0.67 119.26 117.70 1rck h ALA 18 Ca 0.12 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1rck h ALA 18 Cb 0.74 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1rck h ALA 18 CO 0.06 -0.42 0.58 0.00 0.00 0.00 0.00 179.25 179.48 1rck h ALA 19 N 0.84 1.40 -0.12 0.00 0.00 -1.18 -1.60 119.26 118.59 1rck h ALA 19 Ca 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1rck h ALA 19 Cb 0.16 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1rck h ALA 19 CO -0.00 0.54 -0.19 0.00 0.00 0.00 0.00 179.25 179.60 1rck h ALA 20 N 1.46 0.18 0.00 0.00 0.00 -0.90 -1.10 119.26 118.90 1rck h ALA 20 Ca 0.33 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rck h ALA 20 Cb -0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1rck h ALA 20 CO -0.08 0.11 -0.01 -0.97 0.00 0.00 0.00 179.25 178.30 1rck h ASN 21 N -0.08 0.00 0.00 0.00 -0.73 -0.98 -0.73 115.58 113.06 1rck h ASN 21 Ca 0.01 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.17 1rck h ASN 21 Cb 0.76 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.34 1rck h ASN 21 CO 0.04 0.01 -0.10 0.00 -0.37 0.00 0.00 177.43 177.01 1rck h ALA 22 N 1.99 0.01 -0.77 1.57 0.00 -1.00 -2.85 119.26 118.23 1rck h ALA 22 Ca -0.00 -0.31 0.09 0.00 0.00 0.00 0.00 54.91 54.69 1rck h ALA 22 Cb 0.22 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1rck h ALA 22 CO 0.00 0.07 0.42 0.00 0.00 0.00 0.00 179.25 179.74 1rck h ALA 23 N -0.55 1.08 -0.31 0.00 0.00 -1.09 -1.02 119.26 117.36 1rck h ALA 23 Ca -0.02 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1rck h ALA 23 Cb 0.52 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 1rck h ALA 23 CO -0.01 0.05 -0.26 0.00 0.00 0.00 0.00 179.25 179.03 1rck h GLN 25 N -0.23 0.61 0.73 0.00 4.15 -1.17 -2.97 115.11 116.22 1rck h GLN 25 Ca 0.16 -0.20 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 1rck h GLN 25 Cb 0.48 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.12 1rck h GLN 25 CO -0.45 0.73 -0.35 -0.92 -1.93 0.00 0.00 178.83 175.92 1rck h TYR 26 N 0.41 -0.90 0.00 3.99 5.03 -0.92 -2.52 116.97 122.06 1rck h TYR 26 Ca 0.09 -0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.36 1rck h TYR 26 Cb 0.47 0.30 -0.00 0.00 1.55 0.00 0.00 36.73 39.04 1rck h TYR 26 CO 0.04 -0.55 -0.12 -0.92 -1.32 0.00 0.00 178.16 175.29 1rck h TYR 27 N -1.23 0.00 0.14 -3.82 3.20 -0.81 -3.24 116.97 111.22 1rck h TYR 27 Ca -0.10 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 1rck h TYR 27 Cb 0.76 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.03 1rck h TYR 27 CO 0.00 0.12 -0.07 1.96 -1.64 0.00 0.00 178.16 178.53 1rck h GLN 28 N 0.00 -0.18 0.00 1.82 4.20 -1.59 -3.48 115.11 115.87 1rck h GLN 28 Ca -0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1rck h GLN 28 Cb 0.34 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1rck h GLN 28 CO 0.02 -0.12 0.00 -1.71 -0.67 0.00 0.00 178.83 176.34 1rck n ASN 29 N -4.11 0.00 -3.40 1.46 5.15 -1.23 -4.99 115.26 108.14 1rck n ASN 29 Ca -0.02 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.56 1rck n ASN 29 Cb 0.07 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.30 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 -1.05 7.88 -4.65 1.20 8.00 -0.95 -4.94 116.55 122.04 1rck n ASP 30 Ca 0.00 -2.68 -0.54 0.00 0.71 0.00 0.00 54.79 52.27 1rck n ASP 30 Cb 0.00 -1.55 -0.07 0.00 -0.02 0.00 0.00 41.12 39.48 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 3.77 2.56 0.09 -2.24 8.00 -1.22 -3.68 116.55 123.83 1rck n ASP 31 Ca 0.72 0.92 0.10 0.00 0.71 0.00 0.00 54.79 57.24 1rck n ASP 31 Cb 0.26 -1.21 -0.02 0.00 -0.02 0.00 0.00 41.12 40.13 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 5.28 0.67 -3.10 -3.53 5.66 -1.26 -4.97 114.28 113.02 1rck n THR 32 Ca 0.29 -0.57 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 1rck n THR 32 Cb 0.18 -0.37 0.00 0.00 -1.55 0.00 0.00 70.33 68.59 1rck n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rck n ALA 33 N -2.21 0.00 -3.63 1.79 0.00 -1.26 -5.13 120.51 110.07 1rck n ALA 33 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 1rck n ALA 33 Cb 0.59 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.99 1rck n ALA 33 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rck s GLY 34 N -0.87 0.01 0.00 0.00 0.00 -1.26 -5.04 107.32 100.17 1rck s GLY 34 Ca 0.00 2.65 0.00 0.00 0.00 0.00 0.00 44.72 47.37 1rck s GLY 34 CO 0.00 1.09 0.00 1.44 0.00 0.00 0.00 173.10 175.63 1rck n SER 35 N 0.56 0.00 0.13 1.64 7.64 -1.26 -5.08 113.62 117.25 1rck n SER 35 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1rck n SER 35 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1rck n SER 35 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1rck n SER 36 N 0.00 -2.05 -0.07 6.43 7.64 -1.26 -5.02 113.62 119.30 1rck n SER 36 Ca 0.00 0.49 -0.08 0.00 1.01 0.00 0.00 58.87 60.29 1rck n SER 36 Cb 0.00 2.09 -0.04 0.00 -1.01 0.00 0.00 64.21 65.25 1rck n SER 36 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1rck h THR 37 N 0.00 0.28 -3.25 0.44 1.35 -1.96 -3.46 112.91 106.31 1rck h THR 37 Ca 0.00 -1.31 -0.53 0.00 -0.55 0.00 0.00 66.41 64.02 1rck h THR 37 Cb 0.00 0.63 -0.02 0.00 -1.73 0.00 0.00 68.15 67.04 1rck h THR 37 CO 0.00 0.10 -0.15 -0.47 -0.25 0.00 0.00 175.52 174.75 1rck s TYR 38 N -2.15 3.47 -0.96 4.73 6.14 -1.26 -2.17 117.35 125.15 1rck s TYR 38 Ca -0.15 0.68 -0.02 0.00 0.64 0.00 0.00 57.07 58.22 1rck s TYR 38 Cb 0.02 -2.13 0.29 0.00 0.42 0.00 0.00 41.96 40.56 1rck s TYR 38 CO 0.28 0.21 2.02 -0.35 0.64 0.00 0.00 175.55 178.35 1rck n PRO 39 N -0.70 4.27 -1.14 4.97 -0.05 -1.26 -4.26 135.00 136.84 1rck n PRO 39 Ca -0.01 -4.00 0.00 0.00 -0.05 0.00 0.00 63.50 59.43 1rck n PRO 39 Cb 0.53 -2.40 0.00 0.00 -0.05 0.00 0.00 33.50 31.59 1rck n PRO 39 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 1rck n HIS 40 N 0.04 -1.63 -0.91 0.54 8.25 -0.92 -4.24 115.22 116.35 1rck n HIS 40 Ca 0.51 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.66 1rck n HIS 40 Cb 0.27 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.36 1rck n HIS 40 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1rck n THR 41 N -0.54 1.29 -3.68 1.59 -2.24 -1.26 -2.61 114.28 106.83 1rck n THR 41 Ca 0.00 -0.32 -0.10 0.00 -2.27 0.00 0.00 64.05 61.36 1rck n THR 41 Cb 0.00 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 1rck n THR 41 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1rck s TYR 42 N -0.65 -0.68 0.06 4.78 5.04 -0.42 -4.80 117.35 120.68 1rck s TYR 42 Ca 0.42 1.40 0.00 0.00 -2.44 0.00 0.00 57.07 56.45 1rck s TYR 42 Cb -0.61 0.30 0.00 0.00 0.35 0.00 0.00 41.96 42.00 1rck s TYR 42 CO 0.36 -0.39 0.00 0.09 -1.34 0.00 0.00 175.55 174.27 1rck n ASN 43 N 4.59 -0.35 -4.62 4.32 3.02 -1.26 -3.85 115.26 117.10 1rck n ASN 43 Ca -0.19 0.12 -0.33 0.00 -0.03 0.00 0.00 54.58 54.15 1rck n ASN 43 Cb 0.54 0.54 0.14 0.00 -0.61 0.00 0.00 39.78 40.39 1rck n ASN 43 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1rck n ASN 44 N -2.66 0.05 -2.16 6.41 5.15 -1.26 -4.66 115.26 116.13 1rck n ASN 44 Ca 0.00 0.47 -0.03 0.00 -0.60 0.00 0.00 54.58 54.42 1rck n ASN 44 Cb 0.00 -1.42 -0.03 0.00 -0.53 0.00 0.00 39.78 37.80 1rck n ASN 44 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1rck n TYR 45 N -3.68 -3.11 -0.03 1.20 4.01 -1.26 -5.09 117.16 109.20 1rck n TYR 45 Ca 0.11 1.82 0.00 0.00 -0.16 0.00 0.00 57.90 59.68 1rck n TYR 45 Cb 0.52 -3.18 0.00 0.00 -0.31 0.00 0.00 39.34 36.37 1rck n TYR 45 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1rck n GLU 46 N 1.18 3.69 -1.09 -0.72 -0.58 -1.26 -4.72 120.64 117.13 1rck n GLU 46 Ca -0.23 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.48 1rck n GLU 46 Cb 0.35 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.21 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 5.00 0.52 3.60 0.62 0.00 -1.26 -4.94 105.19 108.72 1rck n GLY 47 Ca 0.00 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.73 -0.77 0.11 1.61 0.08 -1.26 -5.11 117.98 110.92 1rck s PHE 48 Ca 0.00 1.86 -0.26 0.00 0.12 0.00 0.00 56.93 58.65 1rck s PHE 48 Cb 0.00 0.27 0.07 0.00 -0.57 0.00 0.00 43.02 42.80 1rck s PHE 48 CO 0.00 -0.37 0.90 -0.51 -0.10 0.00 0.00 175.22 175.14 1rck s ASP 49 N 0.42 -0.26 0.14 1.36 1.01 -1.26 -5.13 116.67 112.95 1rck s ASP 49 Ca -0.00 -0.26 0.02 0.00 0.71 0.00 0.00 52.55 53.01 1rck s ASP 49 Cb -0.05 0.47 -0.04 0.00 1.01 0.00 0.00 42.92 44.31 1rck s ASP 49 CO 0.00 -0.84 -0.03 -0.36 0.21 0.00 0.00 175.17 174.15 1rck s PHE 50 N -3.29 1.08 0.29 4.23 0.08 -1.26 -4.66 117.98 114.45 1rck s PHE 50 Ca 0.09 -0.95 0.03 0.00 0.12 0.00 0.00 56.93 56.22 1rck s PHE 50 Cb -0.01 -0.61 0.66 0.00 -0.57 0.00 0.00 43.02 42.48 1rck s PHE 50 CO -0.02 -0.16 1.77 -1.35 -0.10 0.00 0.00 175.22 175.36 1rck h PRO 51 N 2.81 0.67 -7.51 0.24 0.11 -1.98 -3.42 132.00 122.93 1rck h PRO 51 Ca -0.36 -0.04 -0.48 0.00 0.11 0.00 0.00 66.00 65.23 1rck h PRO 51 Cb 1.19 -0.15 0.10 0.00 0.11 0.00 0.00 31.00 32.25 1rck h PRO 51 CO 0.64 0.44 0.37 0.08 -0.21 0.00 0.00 178.00 179.32 1rck s VAL 52 N -5.90 2.65 0.43 3.15 1.01 -1.26 -5.10 120.40 115.37 1rck s VAL 52 Ca -0.12 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.14 1rck s VAL 52 Cb 0.24 -3.10 0.07 0.00 0.00 0.00 0.00 36.38 33.58 1rck s VAL 52 CO 0.79 -0.27 0.55 -0.90 0.00 0.00 0.00 175.10 175.27 1rck n ASP 53 N -3.34 1.69 0.00 3.32 5.75 -1.26 -5.12 116.55 117.58 1rck n ASP 53 Ca 0.07 -2.19 0.00 0.00 -0.01 0.00 0.00 54.79 52.66 1rck n ASP 53 Cb 0.59 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 1rck n ASP 53 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rck n GLY 54 N -0.22 5.93 3.68 6.12 0.00 -1.26 -4.61 105.19 114.83 1rck n GLY 54 Ca 0.10 -1.58 -0.45 0.00 0.00 0.00 0.00 46.02 44.09 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 2.46 -2.98 1.61 -0.02 -1.26 -4.94 135.00 129.86 1rck n PRO 55 Ca 0.00 0.89 -0.18 0.00 -2.02 0.00 0.00 63.50 62.19 1rck n PRO 55 Cb 0.00 -2.74 0.01 0.00 -0.02 0.00 0.00 33.50 30.75 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 2.47 2.86 0.05 6.00 -0.85 -1.25 -3.82 117.35 122.81 1rck s TYR 56 Ca 0.83 -0.29 0.00 0.00 -0.52 0.00 0.00 57.07 57.10 1rck s TYR 56 Cb -0.59 -2.41 -0.03 0.00 0.38 0.00 0.00 41.96 39.31 1rck s TYR 56 CO 0.41 -0.46 -0.04 1.14 -1.52 0.00 0.00 175.55 175.07 1rck s GLN 57 N -4.42 0.56 0.44 -3.49 0.00 -1.05 -1.31 119.66 110.39 1rck s GLN 57 Ca 0.54 -1.02 -0.04 0.00 -0.00 0.00 0.00 55.36 54.84 1rck s GLN 57 Cb -0.10 0.05 -0.04 0.00 0.00 0.00 0.00 33.01 32.93 1rck s GLN 57 CO 0.34 -0.06 0.71 -1.83 0.00 0.00 0.00 175.29 174.45 1rck s GLU 58 N -2.98 3.53 -0.29 9.60 -1.05 -1.07 -1.80 118.70 124.64 1rck s GLU 58 Ca -0.00 0.04 0.03 0.00 -0.15 0.00 0.00 54.97 54.89 1rck s GLU 58 Cb 0.01 -2.47 0.20 0.00 -0.44 0.00 0.00 34.13 31.43 1rck s GLU 58 CO -0.06 -0.09 0.63 0.12 0.95 0.00 0.00 175.26 176.81 1rck s PHE 59 N -2.60 -1.70 -0.02 4.83 5.36 -0.55 -4.14 117.98 119.16 1rck s PHE 59 Ca 0.45 1.16 -0.30 0.00 -0.96 0.00 0.00 56.93 57.29 1rck s PHE 59 Cb -0.10 0.36 -0.06 0.00 -0.34 0.00 0.00 43.02 42.87 1rck s PHE 59 CO 0.42 -0.98 1.63 -1.25 -1.46 0.00 0.00 175.22 173.57 1rck s PRO 60 N 2.85 4.20 0.68 10.12 0.04 -1.26 -1.62 135.00 150.00 1rck s PRO 60 Ca 0.13 2.20 -0.08 0.00 0.04 0.00 0.00 61.00 63.29 1rck s PRO 60 Cb -0.11 -3.85 0.04 0.00 0.04 0.00 0.00 34.50 30.62 1rck s PRO 60 CO -0.24 -0.79 1.01 -1.50 0.04 0.00 0.00 177.00 175.51 1rck s ILE 61 N 3.53 2.92 -0.02 0.56 1.10 -0.51 -4.52 121.20 124.26 1rck s ILE 61 Ca 0.72 -0.02 -0.30 0.00 -0.51 0.00 0.00 60.65 60.54 1rck s ILE 61 Cb -0.35 -3.23 0.07 0.00 0.15 0.00 0.00 42.46 39.10 1rck s ILE 61 CO 0.30 -0.26 0.68 -1.59 -2.11 0.00 0.00 174.94 171.95 1rck s LYS 62 N -5.21 1.08 -1.13 3.50 0.00 -1.26 -4.63 119.74 112.09 1rck s LYS 62 Ca 0.58 0.14 -0.06 0.00 0.00 0.00 0.00 55.97 56.62 1rck s LYS 62 Cb -0.11 0.51 0.01 0.00 0.00 0.00 0.00 37.83 38.24 1rck s LYS 62 CO 0.46 -0.36 2.73 -1.13 0.00 0.00 0.00 175.35 177.06 1rck n SER 63 N 0.70 7.71 0.00 0.03 3.41 -1.26 -4.27 113.62 119.94 1rck n SER 63 Ca -0.18 -2.93 0.00 0.00 -0.26 0.00 0.00 58.87 55.50 1rck n SER 63 Cb 0.58 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 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 2.17 -1.91 3.52 5.00 0.00 -1.26 -5.15 105.19 107.55 1rck n GLY 64 Ca 0.63 0.53 -0.12 0.00 0.00 0.00 0.00 46.02 47.06 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 -0.66 -0.48 0.22 -0.02 0.00 -1.26 -5.14 107.32 99.98 1rck s GLY 65 Ca 0.00 1.84 -0.31 0.00 0.00 0.00 0.00 44.72 46.25 1rck s GLY 65 CO 0.00 1.67 1.64 0.54 0.00 0.00 0.00 173.10 176.95 1rck s VAL 66 N 0.62 2.20 0.33 1.40 0.11 -1.26 -4.64 120.40 119.16 1rck s VAL 66 Ca -0.02 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 1rck s VAL 66 Cb -0.05 -3.10 0.00 0.00 -1.53 0.00 0.00 36.38 31.71 1rck s VAL 66 CO -0.04 0.02 0.00 0.00 -3.33 0.00 0.00 175.10 171.75 1rck n TYR 67 N 3.43 -3.85 0.00 1.54 0.18 -1.26 -5.08 117.16 112.13 1rck n TYR 67 Ca 0.13 2.01 0.00 0.00 1.88 0.00 0.00 57.90 61.92 1rck n TYR 67 Cb 0.37 -3.24 0.00 0.00 -0.38 0.00 0.00 39.34 36.09 1rck n TYR 67 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1rck n THR 68 N 0.13 0.01 -0.91 -3.48 -2.24 -1.26 -5.11 114.28 101.42 1rck n THR 68 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1rck n THR 68 Cb 0.00 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 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 1.76 0.79 0.00 3.38 0.00 -1.26 -5.02 105.19 104.84 1rck n GLY 69 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.86 0.00 3.64 -0.02 0.00 -1.26 -5.17 105.19 101.53 1rck n GLY 70 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1rck n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rck s SER 71 N 0.00 -0.36 0.00 1.61 1.04 -1.26 -5.09 113.70 109.64 1rck s SER 71 Ca 0.00 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.13 1rck s SER 71 Cb 0.00 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.84 1rck s SER 71 CO 0.00 -0.12 0.45 -0.81 0.98 0.00 0.00 173.24 173.74 1rck n PRO 72 N 2.11 0.00 0.00 4.02 -0.04 -1.26 -4.98 135.00 134.85 1rck n PRO 72 Ca -0.12 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1rck n PRO 72 Cb 0.56 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 1rck n PRO 72 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rck n GLY 73 N 0.59 2.87 4.48 0.55 0.00 -1.26 -4.74 105.19 107.68 1rck n GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.77 0.00 -2.66 4.61 0.00 -1.26 -4.89 120.51 115.54 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 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 6.88 -0.10 0.00 1.01 -1.26 -1.68 116.67 121.51 1rck s ASP 75 Ca 0.00 1.09 -0.00 0.00 0.71 0.00 0.00 52.55 54.34 1rck s ASP 75 Cb 0.00 -2.44 0.02 0.00 1.01 0.00 0.00 42.92 41.51 1rck s ASP 75 CO 0.00 -0.45 -0.07 -0.13 0.21 0.00 0.00 175.17 174.72 1rck s ARG 76 N 2.49 1.46 0.25 8.23 3.00 -0.51 -1.42 118.95 132.46 1rck s ARG 76 Ca 0.36 -0.24 -0.20 0.00 0.00 0.00 0.00 55.73 55.65 1rck s ARG 76 Cb -0.16 -1.50 -0.09 0.00 0.00 0.00 0.00 34.95 33.21 1rck s ARG 76 CO 0.10 -0.23 0.75 0.14 0.00 0.00 0.00 175.30 176.06 1rck s VAL 77 N 1.59 4.54 -0.14 3.52 -7.23 -0.64 -1.91 120.40 120.13 1rck s VAL 77 Ca 0.02 1.30 -0.01 0.00 -1.81 0.00 0.00 61.98 61.48 1rck s VAL 77 Cb -0.13 -3.84 0.04 0.00 0.56 0.00 0.00 36.38 33.01 1rck s VAL 77 CO -0.06 0.14 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.15 1rck s VAL 78 N -1.61 0.84 0.58 1.32 1.01 -0.39 -1.49 120.40 120.66 1rck s VAL 78 Ca 0.46 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1rck s VAL 78 Cb -0.16 -1.05 0.11 0.00 0.00 0.00 0.00 36.38 35.28 1rck s VAL 78 CO 0.21 0.13 0.79 2.30 0.00 0.00 0.00 175.10 178.52 1rck n ILE 79 N 4.97 0.00 -4.51 2.22 -5.35 -0.74 -2.15 119.36 113.80 1rck n ILE 79 Ca -0.10 -1.35 -0.24 0.00 -0.27 0.00 0.00 62.75 60.79 1rck n ILE 79 Cb 0.48 -0.91 -0.11 0.00 -1.74 0.00 0.00 39.64 37.37 1rck n ILE 79 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1rck s ASN 80 N -4.27 3.22 -1.26 7.28 2.20 -0.41 -2.52 114.94 119.17 1rck s ASN 80 Ca 0.54 -1.27 -0.11 0.00 -0.94 0.00 0.00 52.86 51.08 1rck s ASN 80 Cb -0.03 -0.26 -0.06 0.00 -2.00 0.00 0.00 41.25 38.90 1rck s ASN 80 CO 0.35 -0.37 2.44 1.07 -2.94 0.00 0.00 177.10 177.65 1rck n THR 81 N -0.75 3.26 0.00 0.54 5.66 -1.25 -3.80 114.28 117.95 1rck n THR 81 Ca -0.05 -2.16 0.00 0.00 -3.05 0.00 0.00 64.05 58.79 1rck n THR 81 Cb 0.65 -2.42 0.00 0.00 -1.55 0.00 0.00 70.33 67.01 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 4.66 0.00 0.00 1.09 5.15 -1.26 -5.06 115.26 119.85 1rck n ASN 82 Ca 0.60 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.58 1rck n ASN 82 Cb 0.24 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.49 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 2.25 -0.25 0.00 2.02 -1.26 -4.51 118.70 116.95 1rck s GLU 84 Ca 0.00 -1.27 -0.29 0.00 0.02 0.00 0.00 54.97 53.43 1rck s GLU 84 Cb 0.00 -2.22 -0.01 0.00 0.10 0.00 0.00 34.13 32.00 1rck s GLU 84 CO 0.00 0.42 1.32 -0.47 0.02 0.00 0.00 175.26 176.54 1rck s TYR 85 N -1.94 2.68 -0.15 1.61 5.04 -1.26 -1.29 117.35 122.05 1rck s TYR 85 Ca 0.28 0.88 -0.27 0.00 -2.44 0.00 0.00 57.07 55.52 1rck s TYR 85 Cb -0.08 -3.80 -0.25 0.00 0.35 0.00 0.00 41.96 38.18 1rck s TYR 85 CO 0.18 -1.82 0.65 0.00 -1.34 0.00 0.00 175.55 173.23 1rck h ALA 86 N 9.10 0.06 0.00 3.97 0.00 -1.70 -3.48 119.26 127.21 1rck h ALA 86 Ca -0.27 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1rck h ALA 86 Cb 1.10 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1rck h ALA 86 CO 1.01 0.19 0.00 0.41 0.00 0.00 0.00 179.25 180.86 1rck n GLY 87 N 1.58 0.06 3.32 0.00 0.00 -1.05 -4.65 105.19 104.45 1rck n GLY 87 Ca -0.15 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 44.71 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 2.00 0.16 4.61 0.00 -1.26 -1.27 121.76 124.00 1rck s ALA 88 Ca 0.00 -1.34 0.04 0.00 0.00 0.00 0.00 51.96 50.66 1rck s ALA 88 Cb 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 1rck s ALA 88 CO 0.00 0.39 -0.07 0.96 0.00 0.00 0.00 175.76 177.04 1rck s ILE 89 N -1.26 1.10 -0.23 0.00 -4.36 -0.80 -2.48 121.20 113.16 1rck s ILE 89 Ca 0.10 -2.05 -0.20 0.00 -0.26 0.00 0.00 60.65 58.24 1rck s ILE 89 Cb -0.09 -1.97 0.06 0.00 1.25 0.00 0.00 42.46 41.71 1rck s ILE 89 CO 0.05 -0.64 0.60 -0.89 0.24 0.00 0.00 174.94 174.30 1rck s THR 90 N -3.38 -0.00 -1.26 8.37 2.01 -0.16 -1.42 115.64 119.81 1rck s THR 90 Ca 0.20 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.25 1rck s THR 90 Cb 0.04 -0.84 0.24 0.00 0.01 0.00 0.00 72.50 71.95 1rck s THR 90 CO 0.02 0.00 1.01 1.41 -0.69 0.00 0.00 174.62 176.37 1rck n HIS 91 N 2.88 0.52 0.03 4.92 8.25 -0.68 -1.42 115.22 129.72 1rck n HIS 91 Ca -0.14 -0.20 -0.13 0.00 -0.26 0.00 0.00 57.72 56.99 1rck n HIS 91 Cb 0.56 -0.14 -0.09 0.00 1.12 0.00 0.00 29.99 31.44 1rck n HIS 91 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1rck h THR 92 N 1.30 1.15 -0.17 1.59 2.02 -1.90 -3.14 112.91 113.75 1rck h THR 92 Ca 0.00 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.15 1rck h THR 92 Cb 0.71 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 1rck h THR 92 CO 0.09 0.25 0.00 0.61 0.37 0.00 0.00 175.52 176.84 1rck n GLY 93 N 0.19 -0.16 3.92 2.16 0.00 -1.26 -4.90 105.19 105.13 1rck n GLY 93 Ca -0.09 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.77 3.57 -0.97 4.61 0.00 -1.19 -4.91 121.76 121.10 1rck s ALA 94 Ca 0.14 -0.67 -0.02 0.00 0.00 0.00 0.00 51.96 51.41 1rck s ALA 94 Cb 0.07 -2.34 0.30 0.00 0.00 0.00 0.00 23.12 21.15 1rck s ALA 94 CO 0.10 -0.08 1.34 0.45 0.00 0.00 0.00 175.76 177.57 1rck n SER 95 N -1.75 5.89 0.00 0.00 2.88 -1.26 -4.89 113.62 114.49 1rck n SER 95 Ca -0.02 -3.44 0.00 0.00 -1.33 0.00 0.00 58.87 54.07 1rck n SER 95 Cb 0.55 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 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 1.11 0.77 1.74 0.46 0.00 -1.26 -4.60 105.19 103.40 1rck n GLY 96 Ca 0.28 -1.13 0.02 0.00 0.00 0.00 0.00 46.02 45.19 1rck n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rck n ASN 97 N 0.00 4.95 -2.69 1.61 3.02 -1.26 -4.98 115.26 115.90 1rck n ASN 97 Ca 0.00 -3.10 0.00 0.00 -0.03 0.00 0.00 54.58 51.45 1rck n ASN 97 Cb 0.00 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.49 1rck n ASN 97 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1rck n ASN 98 N 0.04 -0.16 -3.84 6.41 5.03 -1.26 -5.04 115.26 116.45 1rck n ASN 98 Ca 0.32 -0.39 -0.10 0.00 0.87 0.00 0.00 54.58 55.27 1rck n ASN 98 Cb 1.22 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.90 1rck n ASN 98 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1rck s PHE 99 N -0.47 0.05 0.13 3.10 0.08 -1.26 -4.36 117.98 115.25 1rck s PHE 99 Ca 0.00 -0.28 -0.02 0.00 0.12 0.00 0.00 56.93 56.75 1rck s PHE 99 Cb 0.00 -0.02 -0.04 0.00 -0.57 0.00 0.00 43.02 42.39 1rck s PHE 99 CO 0.00 -0.44 0.08 0.14 -0.10 0.00 0.00 175.22 174.90 1rck s VAL 100 N -2.66 0.10 0.10 -0.44 -7.23 -0.51 -4.82 120.40 104.94 1rck s VAL 100 Ca -0.04 -1.84 -0.17 0.00 -1.81 0.00 0.00 61.98 58.12 1rck s VAL 100 Cb -0.01 -1.99 -0.07 0.00 0.56 0.00 0.00 36.38 34.88 1rck s VAL 100 CO -0.04 -0.47 0.55 -0.83 -0.31 0.00 0.00 175.10 174.00 1rck s GLY 101 N -3.03 2.58 0.45 2.32 0.00 -1.26 -0.99 107.32 107.39 1rck s GLY 101 Ca 0.22 -0.04 -0.06 0.00 0.00 0.00 0.00 44.72 44.84 1rck s GLY 101 CO 0.01 0.32 0.62 0.00 0.00 0.00 0.00 173.10 174.05 1rck s SER 103 N -3.30 6.79 -0.04 0.00 0.01 -0.20 -2.78 113.70 114.18 1rck s SER 103 Ca 0.36 2.29 -0.00 0.00 1.31 0.00 0.00 55.95 59.91 1rck s SER 103 Cb -0.01 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1rck s SER 103 CO 0.25 -0.72 0.04 0.61 0.41 0.00 0.00 173.24 173.83 1rck n GLY 104 N 3.63 0.81 3.18 3.44 0.00 -1.26 -4.68 105.19 110.30 1rck n GLY 104 Ca 0.13 -0.61 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.01 -0.30 -2.07 2.61 2.01 -1.12 -4.80 115.64 108.96 1rck s THR 105 Ca 0.01 0.16 0.31 0.00 0.31 0.00 0.00 61.69 62.49 1rck s THR 105 Cb -0.01 -0.56 0.86 0.00 0.01 0.00 0.00 72.50 72.80 1rck s THR 105 CO 0.02 0.07 2.16 -3.20 -0.69 0.00 0.00 174.62 172.98