#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1det h ASP 3 N 8.40 0.76 -3.60 0.00 5.19 -0.05 -3.44 116.42 123.68 1det h ASP 3 Ca -0.27 -0.62 -0.28 0.00 -0.62 0.00 0.00 57.03 55.25 1det h ASP 3 Cb 1.11 -0.22 -0.32 0.00 0.18 0.00 0.00 39.33 40.08 1det h ASP 3 CO 0.82 1.26 -0.73 -0.31 -3.12 0.00 0.00 179.24 177.16 1det s TYR 4 N -3.77 0.05 -0.17 4.55 1.51 0.85 -4.90 117.35 115.48 1det s TYR 4 Ca -0.12 0.07 0.01 0.00 -1.01 0.00 0.00 57.07 56.02 1det s TYR 4 Cb 0.07 -0.17 0.02 0.00 -0.11 0.00 0.00 41.96 41.77 1det s TYR 4 CO 0.86 -0.06 -0.17 0.99 -1.11 0.00 0.00 175.55 176.06 1det s THR 5 N 0.66 1.86 -0.53 -0.71 2.01 -1.26 -0.06 115.64 117.61 1det s THR 5 Ca -0.06 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.10 1det s THR 5 Cb -0.08 -1.71 0.14 0.00 0.01 0.00 0.00 72.50 70.86 1det s THR 5 CO -0.02 0.49 0.32 0.00 -0.69 0.00 0.00 174.62 174.72 1det n GLY 7 N 3.81 2.71 0.04 0.00 0.00 -1.26 -1.84 105.19 108.65 1det n GLY 7 Ca 0.04 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.06 1det n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1det n SER 8 N 9.59 0.57 -4.74 1.61 7.64 -1.26 -4.94 113.62 122.09 1det n SER 8 Ca 0.00 -0.13 -0.41 0.00 1.01 0.00 0.00 58.87 59.34 1det n SER 8 Cb 0.00 0.91 -0.04 0.00 -1.01 0.00 0.00 64.21 64.08 1det n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1det s ASN 9 N -4.18 7.15 -0.30 6.43 0.01 -0.76 -5.02 114.94 118.26 1det s ASN 9 Ca 0.02 2.20 -0.07 0.00 -0.71 0.00 0.00 52.86 54.30 1det s ASN 9 Cb 0.14 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 39.20 1det s ASN 9 CO 0.82 -0.31 0.08 0.00 -1.51 0.00 0.00 177.10 176.18 1det s TYR 11 N 1.48 2.33 0.55 0.00 2.02 0.91 -5.00 117.35 119.64 1det s TYR 11 Ca 0.02 -0.61 0.07 0.00 -0.37 0.00 0.00 57.07 56.18 1det s TYR 11 Cb -0.17 -1.52 0.07 0.00 -0.40 0.00 0.00 41.96 39.93 1det s TYR 11 CO 0.02 -0.15 0.75 -1.54 -1.57 0.00 0.00 175.55 173.06 1det s SER 12 N -0.30 5.17 0.00 2.29 1.04 -1.26 0.71 113.70 121.35 1det s SER 12 Ca 0.01 -0.61 0.26 0.00 0.48 0.00 0.00 55.95 56.09 1det s SER 12 Cb -0.12 -0.09 0.76 0.00 0.10 0.00 0.00 66.02 66.67 1det s SER 12 CO 0.02 -1.23 1.57 -1.54 0.98 0.00 0.00 173.24 173.04 1det n SER 13 N -2.21 0.90 0.04 7.02 3.41 -1.26 -2.37 113.62 119.14 1det n SER 13 Ca 0.13 -0.77 -0.20 0.00 -0.26 0.00 0.00 58.87 57.77 1det n SER 13 Cb 0.61 0.13 -0.11 0.00 -0.26 0.00 0.00 64.21 64.58 1det n SER 13 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1det h SER 14 N 0.98 0.87 -0.91 4.04 4.64 -1.98 0.39 113.55 121.58 1det h SER 14 Ca 0.00 -0.74 0.13 0.00 -0.47 0.00 0.00 61.79 60.71 1det h SER 14 Cb 0.49 -0.27 -0.09 0.00 -0.31 0.00 0.00 62.40 62.23 1det h SER 14 CO 0.00 1.50 0.53 0.44 -0.87 0.00 0.00 176.83 178.43 1det h ASP 15 N 0.33 0.74 -0.02 4.97 5.19 -1.96 0.12 116.42 125.79 1det h ASP 15 Ca -0.12 0.07 -0.10 0.00 -0.62 0.00 0.00 57.03 56.25 1det h ASP 15 Cb 1.65 -0.07 0.01 0.00 0.18 0.00 0.00 39.33 41.09 1det h ASP 15 CO 0.19 0.37 -0.39 0.58 -3.12 0.00 0.00 179.24 176.87 1det h VAL 16 N 0.82 1.47 -0.85 -1.35 2.07 -1.29 -2.91 116.25 114.20 1det h VAL 16 Ca 0.47 -1.93 0.05 0.00 0.82 0.00 0.00 66.70 66.11 1det h VAL 16 Cb 0.54 2.58 -0.06 0.00 -1.52 0.00 0.00 31.29 32.84 1det h VAL 16 CO -0.30 0.55 0.54 0.28 0.02 0.00 0.00 177.57 178.66 1det h SER 17 N -0.26 0.87 -0.42 0.57 0.02 0.68 0.75 113.55 115.75 1det h SER 17 Ca -0.04 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.80 1det h SER 17 Cb 1.10 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 1det h SER 17 CO 0.08 0.57 -0.18 0.74 -1.14 0.00 0.00 176.83 176.90 1det h THR 18 N 1.01 1.28 -0.17 -2.27 2.02 -0.89 -1.12 112.91 112.78 1det h THR 18 Ca 0.36 -1.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.20 1det h THR 18 Cb 0.09 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1det h THR 18 CO -0.15 0.45 0.02 0.00 0.37 0.00 0.00 175.52 176.21 1det h ALA 19 N 0.83 0.22 -0.44 6.16 0.00 -1.18 -3.02 119.26 121.84 1det h ALA 19 Ca 0.10 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1det h ALA 19 Cb 0.74 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1det h ALA 19 CO 0.06 -0.10 0.10 0.37 0.00 0.00 0.00 179.25 179.67 1det h GLN 20 N 0.05 0.23 -0.65 0.00 4.15 -0.85 -2.32 115.11 115.72 1det h GLN 20 Ca 0.05 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.48 1det h GLN 20 Cb 0.33 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.93 1det h GLN 20 CO 0.00 0.15 0.41 0.00 -1.93 0.00 0.00 178.83 177.47 1det h ALA 21 N 1.33 0.84 -0.49 3.38 0.00 -1.16 -0.31 119.26 122.85 1det h ALA 21 Ca 0.21 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1det h ALA 21 Cb 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1det h ALA 21 CO -0.27 0.19 -0.20 0.00 0.00 0.00 0.00 179.25 178.97 1det h ALA 22 N 1.27 0.70 -0.63 0.00 0.00 -1.30 -2.16 119.26 117.14 1det h ALA 22 Ca 0.26 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1det h ALA 22 Cb -0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1det h ALA 22 CO -0.09 0.68 0.18 0.78 0.00 0.00 0.00 179.25 180.80 1det h GLY 23 N 0.88 1.06 0.99 0.00 0.00 -1.17 -2.18 103.07 102.65 1det h GLY 23 Ca 0.11 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 1det h GLY 23 CO 0.06 0.59 0.27 -1.82 0.00 0.00 0.00 176.54 175.65 1det h TYR 24 N 0.91 0.89 -0.17 5.60 3.20 -0.98 -1.46 116.97 124.95 1det h TYR 24 Ca 0.20 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.03 1det h TYR 24 Cb 0.31 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 1det h TYR 24 CO 0.02 0.69 0.05 0.37 -1.64 0.00 0.00 178.16 177.66 1det h GLN 25 N 0.83 0.13 -0.29 1.82 4.15 -1.26 -2.34 115.11 118.14 1det h GLN 25 Ca 0.20 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.53 1det h GLN 25 Cb 0.16 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 1det h GLN 25 CO -0.02 0.09 -0.20 -0.07 -1.93 0.00 0.00 178.83 176.69 1det h LEU 26 N 0.14 0.54 -0.06 -2.39 3.38 -1.22 -2.40 115.31 113.29 1det h LEU 26 Ca 0.08 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.90 1det h LEU 26 Cb 0.05 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1det h LEU 26 CO -0.08 0.74 -0.10 -0.74 0.09 0.00 0.00 178.44 178.35 1det h HIS 27 N 0.48 -0.25 -0.65 1.13 2.76 -0.96 -2.25 115.15 115.41 1det h HIS 27 Ca 0.08 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.30 1det h HIS 27 Cb 0.62 0.12 -0.05 0.00 1.55 0.00 0.00 27.41 29.65 1det h HIS 27 CO 0.02 -0.15 0.39 0.93 -1.30 0.00 0.00 177.93 177.82 1det h GLU 28 N -0.14 0.72 0.00 5.26 4.39 -1.39 -2.44 114.58 120.98 1det h GLU 28 Ca 0.06 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1det h GLU 28 Cb 0.22 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1det h GLU 28 CO -0.15 0.48 0.00 -0.44 -1.16 0.00 0.00 179.01 177.74 1det h ASP 29 N 0.75 0.00 0.00 1.42 3.32 -1.14 -3.47 116.42 117.30 1det h ASP 29 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1det h ASP 29 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1det h ASP 29 CO -0.13 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.00 1det n GLY 30 N 0.00 0.40 3.46 2.75 0.00 -0.88 -5.05 105.19 105.87 1det n GLY 30 Ca 0.01 -1.01 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 1det n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1det s GLU 31 N -2.61 1.66 0.13 1.61 2.02 -1.03 -5.07 118.70 115.42 1det s GLU 31 Ca 0.00 -1.76 0.01 0.00 0.02 0.00 0.00 54.97 53.24 1det s GLU 31 Cb 0.00 -1.75 -0.04 0.00 0.10 0.00 0.00 34.13 32.44 1det s GLU 31 CO 0.00 0.33 0.01 0.95 0.02 0.00 0.00 175.26 176.56 1det s THR 32 N -2.50 0.43 0.05 3.63 -4.23 -1.26 -4.30 115.64 107.46 1det s THR 32 Ca 0.29 -1.93 0.03 0.00 -1.18 0.00 0.00 61.69 58.90 1det s THR 32 Cb -0.05 -1.96 -0.02 0.00 1.34 0.00 0.00 72.50 71.80 1det s THR 32 CO 0.15 -0.59 -0.09 0.54 -0.54 0.00 0.00 174.62 174.09 1det s VAL 33 N -3.81 0.62 0.00 2.29 0.11 0.37 -4.86 120.40 115.11 1det s VAL 33 Ca 0.20 -1.11 0.00 0.00 -2.93 0.00 0.00 61.98 58.14 1det s VAL 33 Cb 0.07 -0.67 0.00 0.00 -1.53 0.00 0.00 36.38 34.24 1det s VAL 33 CO 0.00 -0.36 0.00 0.61 -3.33 0.00 0.00 175.10 172.03 1det n GLY 34 N 1.44 0.12 0.20 6.54 0.00 -1.26 -2.27 105.19 109.97 1det n GLY 34 Ca -0.23 -1.68 0.15 0.00 0.00 0.00 0.00 46.02 44.26 1det n GLY 34 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1det h SER 35 N 0.00 0.00 -0.21 1.61 4.64 -1.86 -2.06 113.55 115.67 1det h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1det h SER 35 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1det h SER 35 CO 0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 1det n ASN 36 N -2.56 2.79 -3.58 4.97 4.13 -1.26 -5.02 115.26 114.73 1det n ASN 36 Ca 0.00 -1.89 -0.20 0.00 1.68 0.00 0.00 54.58 54.17 1det n ASN 36 Cb 0.17 -0.13 0.00 0.00 -1.54 0.00 0.00 39.78 38.29 1det n ASN 36 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1det n SER 37 N 1.10 -5.65 -4.83 6.41 7.64 -0.78 -4.95 113.62 112.56 1det n SER 37 Ca 0.17 -0.66 -0.38 0.00 1.01 0.00 0.00 58.87 59.02 1det n SER 37 Cb 0.53 -2.58 -0.06 0.00 -1.01 0.00 0.00 64.21 61.09 1det n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1det s TYR 38 N -2.85 3.68 0.64 1.43 2.02 -0.96 -4.01 117.35 117.30 1det s TYR 38 Ca 0.04 0.87 -0.11 0.00 -0.37 0.00 0.00 57.07 57.50 1det s TYR 38 Cb -0.01 -2.23 -0.03 0.00 -0.40 0.00 0.00 41.96 39.30 1det s TYR 38 CO 0.86 0.62 1.05 -1.25 -1.57 0.00 0.00 175.55 175.26 1det s PRO 39 N -0.92 3.41 0.10 -1.71 0.04 -1.26 -0.48 135.00 134.18 1det s PRO 39 Ca 0.22 0.69 -0.16 0.00 0.04 0.00 0.00 61.00 61.78 1det s PRO 39 Cb -0.15 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.35 1det s PRO 39 CO 0.11 -0.69 0.38 -3.38 0.04 0.00 0.00 177.00 173.46 1det s HIS 40 N -3.22 -0.18 0.27 0.56 -3.43 -1.26 -4.86 115.29 103.17 1det s HIS 40 Ca 0.56 -0.06 -0.30 0.00 -0.80 0.00 0.00 55.06 54.46 1det s HIS 40 Cb -0.11 0.21 -0.13 0.00 -1.43 0.00 0.00 32.58 31.12 1det s HIS 40 CO 0.54 -0.64 1.33 1.17 -2.00 0.00 0.00 174.74 175.13 1det n LYS 41 N 0.02 1.99 -3.83 -0.38 4.81 -1.26 -4.37 118.16 115.14 1det n LYS 41 Ca -0.17 0.70 -0.36 0.00 -0.87 0.00 0.00 58.31 57.62 1det n LYS 41 Cb 0.62 -2.31 -0.13 0.00 0.02 0.00 0.00 35.03 33.23 1det n LYS 41 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1det s TYR 42 N -0.46 3.09 0.05 5.64 5.04 0.38 -4.89 117.35 126.20 1det s TYR 42 Ca 0.64 -1.03 0.20 0.00 -2.44 0.00 0.00 57.07 54.43 1det s TYR 42 Cb -0.63 -2.19 0.57 0.00 0.35 0.00 0.00 41.96 40.06 1det s TYR 42 CO 0.54 -0.58 1.68 -0.91 -1.34 0.00 0.00 175.55 174.94 1det h ASN 43 N 8.17 0.00 -3.60 4.32 2.35 -1.94 -3.35 115.58 121.52 1det h ASN 43 Ca -0.34 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.22 1det h ASN 43 Cb 1.13 0.00 0.08 0.00 0.05 0.00 0.00 38.32 39.58 1det h ASN 43 CO 0.59 0.35 -0.36 -3.20 -1.65 0.00 0.00 177.43 173.17 1det n ASN 44 N -3.38 -3.22 0.17 5.81 5.15 -1.26 -4.93 115.26 113.59 1det n ASN 44 Ca 0.01 -0.29 0.02 0.00 -0.60 0.00 0.00 54.58 53.72 1det n ASN 44 Cb 0.55 -2.79 0.37 0.00 -0.53 0.00 0.00 39.78 37.38 1det n ASN 44 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1det h TYR 45 N -1.18 0.09 0.00 1.20 0.05 -1.99 -2.34 116.97 112.81 1det h TYR 45 Ca -0.29 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.44 1det h TYR 45 Cb 1.18 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.89 1det h TYR 45 CO 0.24 0.37 -0.14 0.93 -1.05 0.00 0.00 178.16 178.50 1det h GLU 46 N 0.08 0.00 -1.48 4.88 3.07 -1.94 -3.47 114.58 115.72 1det h GLU 46 Ca 0.01 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.79 1det h GLU 46 Cb 0.56 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.48 1det h GLU 46 CO 0.04 0.14 -0.13 0.41 -1.40 0.00 0.00 179.01 178.08 1det n GLY 47 N -0.05 0.49 3.77 -3.84 0.00 -0.88 -5.00 105.19 99.68 1det n GLY 47 Ca -0.00 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 1det n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1det s PHE 48 N -2.76 2.58 -1.02 1.61 0.08 -1.26 -4.94 117.98 112.27 1det s PHE 48 Ca 0.08 1.54 -0.12 0.00 0.12 0.00 0.00 56.93 58.54 1det s PHE 48 Cb -0.03 -3.34 0.23 0.00 -0.57 0.00 0.00 43.02 39.30 1det s PHE 48 CO 0.09 -1.77 1.06 0.34 -0.10 0.00 0.00 175.22 174.85 1det s ASP 49 N -1.77 7.04 0.23 1.36 2.15 -1.26 -5.02 116.67 119.39 1det s ASP 49 Ca 0.74 -3.05 -0.14 0.00 0.43 0.00 0.00 52.55 50.53 1det s ASP 49 Cb -0.26 -2.26 -0.08 0.00 -0.30 0.00 0.00 42.92 40.03 1det s ASP 49 CO 0.30 -0.54 0.62 -0.36 -0.17 0.00 0.00 175.17 175.02 1det s PHE 50 N 0.08 3.49 -0.15 -5.34 0.08 -1.26 -4.98 117.98 109.90 1det s PHE 50 Ca 0.29 1.08 -0.27 0.00 0.12 0.00 0.00 56.93 58.15 1det s PHE 50 Cb -0.08 -2.41 -0.24 0.00 -0.57 0.00 0.00 43.02 39.72 1det s PHE 50 CO -0.07 0.28 0.67 0.66 -0.10 0.00 0.00 175.22 176.66 1det h SER 51 N 2.89 0.00 -1.50 1.36 4.64 -1.93 -3.46 113.55 115.55 1det h SER 51 Ca -0.48 -0.90 -0.64 0.00 -0.47 0.00 0.00 61.79 59.30 1det h SER 51 Cb 1.18 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 63.39 1det h SER 51 CO 0.67 1.05 -0.49 0.52 -0.87 0.00 0.00 176.83 177.71 1det n VAL 52 N -4.59 1.74 -2.00 0.95 0.31 -1.26 -4.94 118.33 108.53 1det n VAL 52 Ca -0.13 -0.50 -0.36 0.00 -0.01 0.00 0.00 64.34 63.35 1det n VAL 52 Cb 0.49 -0.22 0.03 0.00 -0.91 0.00 0.00 33.84 33.24 1det n VAL 52 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1det s SER 53 N -0.93 5.20 0.65 4.52 1.04 -1.26 -5.04 113.70 117.89 1det s SER 53 Ca 0.62 2.33 -0.03 0.00 0.48 0.00 0.00 55.95 59.35 1det s SER 53 Cb -0.81 -2.59 0.06 0.00 0.10 0.00 0.00 66.02 62.78 1det s SER 53 CO 0.58 -1.58 0.92 -0.94 0.98 0.00 0.00 173.24 173.20 1det s SER 54 N -1.71 4.90 0.64 7.02 1.04 -1.26 -4.73 113.70 119.60 1det s SER 54 Ca 0.76 0.15 -0.16 0.00 0.48 0.00 0.00 55.95 57.18 1det s SER 54 Cb -0.29 -0.85 -0.01 0.00 0.10 0.00 0.00 66.02 64.97 1det s SER 54 CO 0.33 -1.47 1.14 -2.16 0.98 0.00 0.00 173.24 172.06 1det s PRO 55 N -5.05 2.83 0.12 4.02 0.04 -1.26 -4.90 135.00 130.81 1det s PRO 55 Ca 0.60 1.54 0.08 0.00 0.04 0.00 0.00 61.00 63.25 1det s PRO 55 Cb -0.10 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1det s PRO 55 CO 0.42 -1.25 -0.10 0.71 0.04 0.00 0.00 177.00 176.82 1det s TYR 56 N -2.09 2.71 0.00 0.56 2.02 -1.26 -3.70 117.35 115.59 1det s TYR 56 Ca 0.70 -0.18 0.00 0.00 -0.37 0.00 0.00 57.07 57.23 1det s TYR 56 Cb -0.23 -1.40 0.00 0.00 -0.40 0.00 0.00 41.96 39.93 1det s TYR 56 CO 0.38 0.44 0.00 0.66 -1.57 0.00 0.00 175.55 175.46 1det n TYR 57 N 0.56 0.00 0.00 2.71 4.01 -0.46 -0.47 117.16 123.51 1det n TYR 57 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1det n TYR 57 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 1det n TYR 57 CO 0.00 0.00 0.00 1.87 -0.46 0.00 0.00 176.86 178.27 1det n TRP 59 N 0.00 0.00 -1.89 -0.72 -0.00 -0.65 -1.66 117.44 112.52 1det n TRP 59 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.50 57.09 1det n TRP 59 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 31.31 31.31 1det n TRP 59 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 177.69 175.55 1det s PRO 60 N -0.18 4.10 -0.19 5.87 0.02 -1.26 -1.05 135.00 142.31 1det s PRO 60 Ca 0.00 2.45 -0.03 0.00 0.02 0.00 0.00 61.00 63.44 1det s PRO 60 Cb 0.00 -2.94 -0.01 0.00 0.02 0.00 0.00 34.50 31.57 1det s PRO 60 CO 0.00 -0.49 -0.06 -1.50 -0.33 0.00 0.00 177.00 174.62 1det s ILE 61 N -1.14 3.45 -0.19 2.83 2.07 -0.97 -4.40 121.20 122.84 1det s ILE 61 Ca 0.53 -0.49 -0.15 0.00 -1.41 0.00 0.00 60.65 59.13 1det s ILE 61 Cb -0.44 -2.53 -0.04 0.00 0.13 0.00 0.00 42.46 39.58 1det s ILE 61 CO 0.59 0.46 0.37 -0.76 -1.91 0.00 0.00 174.94 173.70 1det s LEU 62 N 0.96 4.17 0.44 8.50 1.43 -1.25 -4.44 118.68 128.49 1det s LEU 62 Ca -0.00 0.51 0.09 0.00 -1.03 0.00 0.00 54.13 53.70 1det s LEU 62 Cb -0.15 -2.48 0.96 0.00 0.03 0.00 0.00 46.19 44.56 1det s LEU 62 CO 0.00 -0.04 2.08 0.77 0.23 0.00 0.00 176.35 179.40 1det h SER 63 N 7.24 0.34 0.00 2.29 4.64 -1.96 -1.32 113.55 124.78 1det h SER 63 Ca -0.37 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1det h SER 63 Cb 1.16 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1det h SER 63 CO 0.72 0.25 0.06 -1.54 -0.87 0.00 0.00 176.83 175.45 1det n SER 64 N -4.49 0.33 0.00 4.97 3.41 -1.26 -4.82 113.62 111.76 1det n SER 64 Ca 0.01 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 1det n SER 64 Cb 0.07 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 1det n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1det n GLY 65 N -1.35 3.01 3.77 5.00 0.00 -0.50 -5.01 105.19 110.10 1det n GLY 65 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1det n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1det s ASP 66 N -1.23 7.10 0.15 1.61 -1.08 -1.26 -4.98 116.67 116.97 1det s ASP 66 Ca 0.00 2.18 -0.30 0.00 -0.52 0.00 0.00 52.55 53.91 1det s ASP 66 Cb 0.00 -2.61 -0.07 0.00 -1.46 0.00 0.00 42.92 38.78 1det s ASP 66 CO 0.00 -0.26 1.12 -0.69 0.52 0.00 0.00 175.17 175.86 1det s VAL 67 N -1.33 3.91 0.09 1.11 1.01 -1.26 -3.97 120.40 119.96 1det s VAL 67 Ca 0.49 1.58 -0.35 0.00 0.00 0.00 0.00 61.98 63.70 1det s VAL 67 Cb -0.28 -4.01 -0.14 0.00 0.00 0.00 0.00 36.38 31.95 1det s VAL 67 CO 0.36 0.23 1.60 0.00 0.00 0.00 0.00 175.10 177.30 1det n TYR 68 N 2.74 2.16 -2.56 5.22 9.36 -1.26 -4.90 117.16 127.91 1det n TYR 68 Ca 0.04 0.29 -0.07 0.00 3.32 0.00 0.00 57.90 61.48 1det n TYR 68 Cb 0.46 -2.53 0.04 0.00 -0.63 0.00 0.00 39.34 36.69 1det n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1det n SER 69 N 3.94 2.59 0.00 2.98 3.41 -1.26 -5.00 113.62 120.28 1det n SER 69 Ca 0.19 -2.57 0.00 0.00 -0.26 0.00 0.00 58.87 56.22 1det n SER 69 Cb 0.27 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1det n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1det n GLY 70 N -0.61 0.52 0.00 5.00 0.00 -1.26 -4.95 105.19 103.88 1det n GLY 70 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1det n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1det n GLY 71 N -1.78 0.52 3.73 -0.02 0.00 -1.26 -4.26 105.19 102.12 1det n GLY 71 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1det n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1det s SER 72 N -1.00 7.30 0.23 1.61 1.04 -1.26 -4.76 113.70 116.86 1det s SER 72 Ca 0.00 1.93 0.24 0.00 0.48 0.00 0.00 55.95 58.60 1det s SER 72 Cb 0.00 -2.59 0.92 0.00 0.10 0.00 0.00 66.02 64.45 1det s SER 72 CO 0.00 -0.24 1.73 -0.81 0.98 0.00 0.00 173.24 174.91 1det n PRO 73 N 3.06 0.21 0.00 4.02 -0.04 -1.26 -5.01 135.00 135.99 1det n PRO 73 Ca 0.04 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1det n PRO 73 Cb 0.48 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 1det n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1det n GLY 74 N 0.51 -0.56 0.03 0.55 0.00 -1.26 -4.24 105.19 100.21 1det n GLY 74 Ca 0.04 -1.10 0.11 0.00 0.00 0.00 0.00 46.02 45.06 1det n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1det n ALA 75 N 1.56 3.40 -2.83 4.61 0.00 -1.26 -5.00 120.51 121.00 1det n ALA 75 Ca 0.00 -0.44 -0.32 0.00 0.00 0.00 0.00 53.44 52.68 1det n ALA 75 Cb 0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 1det n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1det s ASP 76 N -4.02 5.89 0.02 0.00 1.01 -1.26 -0.99 116.67 117.32 1det s ASP 76 Ca 0.02 0.16 -0.04 0.00 0.71 0.00 0.00 52.55 53.40 1det s ASP 76 Cb 0.14 -1.72 -0.01 0.00 1.01 0.00 0.00 42.92 42.34 1det s ASP 76 CO 0.83 0.23 0.05 -0.13 0.21 0.00 0.00 175.17 176.36 1det s ARG 77 N -2.09 0.47 -0.16 8.23 1.81 0.54 -2.30 118.95 125.45 1det s ARG 77 Ca 0.28 -0.65 -0.09 0.00 -1.72 0.00 0.00 55.73 53.54 1det s ARG 77 Cb -0.12 0.18 -0.05 0.00 -0.45 0.00 0.00 34.95 34.51 1det s ARG 77 CO 0.20 -0.10 0.15 0.08 -0.68 0.00 0.00 175.30 174.94 1det s VAL 78 N -2.01 5.44 -0.07 3.52 1.01 -0.21 -1.15 120.40 126.93 1det s VAL 78 Ca -0.10 0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.14 1det s VAL 78 Cb -0.05 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1det s VAL 78 CO -0.02 0.53 -0.19 -0.69 0.00 0.00 0.00 175.10 174.73 1det s VAL 79 N -0.32 2.62 0.15 2.92 1.01 -0.36 -1.63 120.40 124.80 1det s VAL 79 Ca 0.12 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 1det s VAL 79 Cb -0.12 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1det s VAL 79 CO 0.01 0.57 0.15 0.72 0.00 0.00 0.00 175.10 176.55 1det s PHE 80 N -0.28 0.73 0.35 5.22 -0.12 -0.67 -0.37 117.98 122.84 1det s PHE 80 Ca 0.01 -1.09 0.04 0.00 -0.05 0.00 0.00 56.93 55.84 1det s PHE 80 Cb -0.13 -0.34 0.04 0.00 -0.63 0.00 0.00 43.02 41.96 1det s PHE 80 CO 0.03 -0.61 0.31 0.27 -0.05 0.00 0.00 175.22 175.17 1det n ASN 81 N -0.16 1.94 0.26 1.98 0.23 0.18 -1.36 115.26 118.34 1det n ASN 81 Ca -0.05 -2.15 0.11 0.00 -0.53 0.00 0.00 54.58 51.97 1det n ASN 81 Cb 0.64 -0.08 0.72 0.00 -2.08 0.00 0.00 39.78 38.98 1det n ASN 81 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1det h GLU 82 N 0.00 0.00 -0.01 -3.83 4.39 -1.87 -2.31 114.58 110.95 1det h GLU 82 Ca -0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1det h GLU 82 Cb 0.80 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1det h GLU 82 CO 0.32 0.10 -0.03 0.09 -1.16 0.00 0.00 179.01 178.33 1det n ASN 83 N -3.88 0.93 -2.25 1.42 5.03 -1.26 -4.89 115.26 110.37 1det n ASN 83 Ca -0.02 -1.21 -0.10 0.00 0.87 0.00 0.00 54.58 54.12 1det n ASN 83 Cb 0.19 -0.00 0.05 0.00 -1.02 0.00 0.00 39.78 39.00 1det n ASN 83 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1det n ASN 84 N -0.34 -2.55 -4.64 6.41 4.05 -0.87 -5.04 115.26 112.29 1det n ASN 84 Ca 0.19 -0.32 -0.31 0.00 0.45 0.00 0.00 54.58 54.60 1det n ASN 84 Cb 0.28 -2.93 -0.09 0.00 1.23 0.00 0.00 39.78 38.26 1det n ASN 84 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1det s GLN 85 N -4.94 2.50 -0.10 1.20 -0.21 -1.26 -4.87 119.66 111.98 1det s GLN 85 Ca 0.07 -0.80 -0.30 0.00 0.02 0.00 0.00 55.36 54.35 1det s GLN 85 Cb -0.03 -2.50 -0.03 0.00 1.00 0.00 0.00 33.01 31.45 1det s GLN 85 CO 0.39 0.57 1.37 -1.17 -2.12 0.00 0.00 175.29 174.32 1det s LEU 86 N -1.90 4.24 -0.16 2.90 2.96 -1.26 -0.64 118.68 124.81 1det s LEU 86 Ca 0.21 1.90 -0.17 0.00 -0.22 0.00 0.00 54.13 55.85 1det s LEU 86 Cb -0.11 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.81 1det s LEU 86 CO 0.13 -0.78 0.34 0.00 -1.32 0.00 0.00 176.35 174.72 1det h ALA 87 N 8.40 0.28 0.00 5.97 0.00 -1.03 -3.45 119.26 129.44 1det h ALA 87 Ca -0.32 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.39 1det h ALA 87 Cb 1.14 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1det h ALA 87 CO 0.95 0.84 0.00 0.41 0.00 0.00 0.00 179.25 181.45 1det n GLY 88 N 1.63 -1.47 2.89 0.00 0.00 -1.14 -4.59 105.19 102.51 1det n GLY 88 Ca -0.30 -1.04 -0.26 0.00 0.00 0.00 0.00 46.02 44.43 1det n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1det s VAL 89 N -2.28 0.88 0.30 1.61 1.01 -1.26 -1.22 120.40 119.43 1det s VAL 89 Ca 0.00 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 61.82 1det s VAL 89 Cb 0.00 -0.92 -0.06 0.00 0.00 0.00 0.00 36.38 35.40 1det s VAL 89 CO 0.00 0.34 -0.00 0.27 0.00 0.00 0.00 175.10 175.71 1det s ILE 90 N 1.66 1.44 0.02 2.22 -4.36 -0.30 -0.65 121.20 121.22 1det s ILE 90 Ca 0.03 -2.06 -0.17 0.00 -0.26 0.00 0.00 60.65 58.19 1det s ILE 90 Cb -0.13 -2.62 0.03 0.00 1.25 0.00 0.00 42.46 40.99 1det s ILE 90 CO -0.06 -0.16 0.39 0.28 0.24 0.00 0.00 174.94 175.62 1det s THR 91 N -3.14 0.06 0.16 8.37 -1.32 -0.51 -0.34 115.64 118.91 1det s THR 91 Ca 0.33 -0.48 0.11 0.00 -1.21 0.00 0.00 61.69 60.44 1det s THR 91 Cb 0.06 -0.88 -0.07 0.00 -1.51 0.00 0.00 72.50 70.11 1det s THR 91 CO 0.14 -0.26 1.49 0.45 -2.21 0.00 0.00 174.62 174.22 1det h HIS 92 N 3.24 0.00 -1.63 9.09 3.86 -1.30 -1.88 115.15 126.53 1det h HIS 92 Ca -0.31 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.28 1det h HIS 92 Cb 1.19 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.66 1det h HIS 92 CO 0.44 0.72 1.43 2.41 0.86 0.00 0.00 177.93 183.79 1det n THR 93 N -3.54 0.31 -0.00 2.45 -1.04 -1.26 -1.21 114.28 109.98 1det n THR 93 Ca -0.00 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 1det n THR 93 Cb 0.74 -2.13 0.00 0.00 -1.82 0.00 0.00 70.33 67.12 1det n THR 93 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1det n GLY 94 N 5.95 0.14 3.84 3.41 0.00 -1.26 -4.66 105.19 112.60 1det n GLY 94 Ca 0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 1det n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1det s ALA 95 N -2.02 3.73 0.46 4.61 0.00 -0.35 -4.93 121.76 123.27 1det s ALA 95 Ca 0.00 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 50.96 1det s ALA 95 Cb 0.00 -1.56 0.01 0.00 0.00 0.00 0.00 23.12 21.57 1det s ALA 95 CO 0.00 0.67 0.66 -1.54 0.00 0.00 0.00 175.76 175.55 1det s SER 96 N -2.74 5.63 1.63 0.00 1.04 -1.26 -4.84 113.70 113.15 1det s SER 96 Ca 0.32 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.73 1det s SER 96 Cb -0.12 -1.10 0.00 0.00 0.10 0.00 0.00 66.02 64.91 1det s SER 96 CO 0.25 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1det n GLY 97 N -2.06 3.40 1.02 7.32 0.00 -1.26 -1.50 105.19 112.11 1det n GLY 97 Ca 0.05 -0.11 0.01 0.00 0.00 0.00 0.00 46.02 45.97 1det n GLY 97 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1det n ASN 98 N 4.04 3.10 -4.48 1.61 0.23 -1.26 -5.02 115.26 113.48 1det n ASN 98 Ca 0.00 -3.42 -0.28 0.00 -0.53 0.00 0.00 54.58 50.36 1det n ASN 98 Cb 0.00 -0.59 0.14 0.00 -2.08 0.00 0.00 39.78 37.24 1det n ASN 98 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1det s ASN 99 N -2.27 3.84 0.06 0.53 0.02 -0.56 -5.07 114.94 111.49 1det s ASN 99 Ca 0.43 0.20 0.08 0.00 -1.02 0.00 0.00 52.86 52.55 1det s ASN 99 Cb 0.38 -0.47 -0.03 0.00 0.02 0.00 0.00 41.25 41.14 1det s ASN 99 CO 0.04 -2.25 -0.22 -0.36 0.02 0.00 0.00 177.10 174.34 1det s PHE 100 N -3.57 1.89 0.27 2.20 0.08 -1.26 -4.54 117.98 113.05 1det s PHE 100 Ca 0.69 -0.39 0.11 0.00 0.12 0.00 0.00 56.93 57.46 1det s PHE 100 Cb -0.06 -1.10 -0.05 0.00 -0.57 0.00 0.00 43.02 41.24 1det s PHE 100 CO 0.49 0.14 -0.14 0.14 -0.10 0.00 0.00 175.22 175.75 1det s VAL 101 N -0.90 2.79 0.51 -0.44 -7.23 -0.71 -4.92 120.40 109.51 1det s VAL 101 Ca 0.08 -2.22 -0.17 0.00 -1.81 0.00 0.00 61.98 57.86 1det s VAL 101 Cb -0.09 -2.47 -0.08 0.00 0.56 0.00 0.00 36.38 34.30 1det s VAL 101 CO 0.03 -0.38 0.98 -1.61 -0.31 0.00 0.00 175.10 173.82 1det s GLU 102 N -3.51 3.96 -0.01 4.82 2.02 -1.26 -1.43 118.70 123.29 1det s GLU 102 Ca 0.30 0.98 -0.17 0.00 0.02 0.00 0.00 54.97 56.11 1det s GLU 102 Cb -0.06 -2.14 -0.06 0.00 0.10 0.00 0.00 34.13 31.98 1det s GLU 102 CO 0.16 -0.26 0.47 0.00 0.02 0.00 0.00 175.26 175.65