#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yuu s ALA 2 N 0.00 1.40 0.00 3.04 0.00 -1.26 -4.77 121.76 120.18 1yuu s ALA 2 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1yuu s ALA 2 Cb 0.00 -4.55 0.00 0.00 0.00 0.00 0.00 23.12 18.57 1yuu s ALA 2 CO 0.00 -5.10 0.00 0.00 0.00 0.00 0.00 175.76 170.66 1yuu n ALA 3 N 15.27 -1.28 0.16 0.00 0.00 -1.26 -4.88 120.51 128.53 1yuu n ALA 3 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1yuu n ALA 3 Cb 0.46 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.68 1yuu n ALA 3 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1yuu n GLU 4 N 1.20 0.00 -0.95 0.00 4.07 -1.26 -5.12 120.64 118.58 1yuu n GLU 4 Ca 0.00 0.00 -0.30 0.00 -0.06 0.00 0.00 57.16 56.80 1yuu n GLU 4 Cb 0.14 0.00 0.17 0.00 -0.06 0.00 0.00 31.44 31.69 1yuu n GLU 4 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1yuu s PRO 5 N -1.72 0.71 0.47 5.31 0.04 -1.26 -5.06 135.00 133.48 1yuu s PRO 5 Ca 0.00 0.98 0.03 0.00 0.04 0.00 0.00 61.00 62.06 1yuu s PRO 5 Cb 0.00 -1.73 0.03 0.00 0.04 0.00 0.00 34.50 32.84 1yuu s PRO 5 CO 0.00 -2.66 0.27 1.28 0.04 0.00 0.00 177.00 175.93 1yuu n LEU 6 N -4.19 0.00 -4.72 -3.56 4.77 -1.26 -5.12 117.00 102.91 1yuu n LEU 6 Ca 0.07 -2.54 -0.29 0.00 -0.03 0.00 0.00 56.01 53.22 1yuu n LEU 6 Cb 0.54 0.04 0.15 0.00 -2.33 0.00 0.00 43.42 41.82 1yuu n LEU 6 CO 0.55 -0.51 0.67 0.28 -1.33 0.00 0.00 177.39 177.05 1yuu s THR 7 N -2.41 2.43 0.06 -5.08 -1.32 -1.26 -4.69 115.64 103.37 1yuu s THR 7 Ca 0.21 0.14 -0.29 0.00 -1.21 0.00 0.00 61.69 60.54 1yuu s THR 7 Cb -0.02 -2.69 -0.17 0.00 -1.51 0.00 0.00 72.50 68.11 1yuu s THR 7 CO 0.13 -0.18 1.57 -0.08 -2.21 0.00 0.00 174.62 173.85 1yuu h GLU 8 N -1.61 -0.53 -0.55 7.08 4.81 -2.00 0.15 114.58 121.93 1yuu h GLU 8 Ca -0.51 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1yuu h GLU 8 Cb 1.30 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.78 1yuu h GLU 8 CO 0.57 -0.31 0.33 -0.07 -0.73 0.00 0.00 179.01 178.79 1yuu h LEU 9 N -0.63 0.66 -0.37 1.64 3.38 -1.99 -1.79 115.31 116.20 1yuu h LEU 9 Ca -0.06 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 57.93 1yuu h LEU 9 Cb 0.47 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 1yuu h LEU 9 CO 0.09 0.53 -0.18 -0.08 0.09 0.00 0.00 178.44 178.90 1yuu h GLU 10 N 0.73 -0.11 -0.09 1.13 4.81 -1.83 0.24 114.58 119.47 1yuu h GLU 10 Ca 0.20 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 1yuu h GLU 10 Cb -0.01 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 1yuu h GLU 10 CO -0.04 -0.07 -0.47 0.93 -0.73 0.00 0.00 179.01 178.63 1yuu h GLU 11 N -0.11 -0.55 -0.14 1.92 4.39 -0.54 -1.77 114.58 117.78 1yuu h GLU 11 Ca 0.19 0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.96 1yuu h GLU 11 Cb 0.40 0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 1yuu h GLU 11 CO -0.45 -0.36 -0.08 0.77 -1.16 0.00 0.00 179.01 177.73 1yuu h SER 12 N -0.57 -0.26 -0.57 1.42 0.02 -0.38 0.10 113.55 113.32 1yuu h SER 12 Ca 0.05 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1yuu h SER 12 Cb 0.67 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 1yuu h SER 12 CO -0.39 -0.11 0.30 0.16 -1.14 0.00 0.00 176.83 175.65 1yuu h ILE 13 N -0.07 1.20 -0.40 3.27 -0.00 -0.49 -1.04 117.51 119.97 1yuu h ILE 13 Ca 0.08 -0.52 -0.01 0.00 -0.00 0.00 0.00 64.86 64.42 1yuu h ILE 13 Cb 0.19 0.50 -0.02 0.00 -0.00 0.00 0.00 36.82 37.49 1yuu h ILE 13 CO -0.19 0.22 0.23 -0.08 -0.00 0.00 0.00 178.15 178.32 1yuu h GLU 14 N 0.77 0.55 -0.79 0.16 4.81 -0.84 0.81 114.58 120.04 1yuu h GLU 14 Ca 0.20 -0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.46 1yuu h GLU 14 Cb 0.08 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 1yuu h GLU 14 CO -0.03 0.43 0.52 0.00 -0.73 0.00 0.00 179.01 179.20 1yuu h THR 15 N 0.52 0.95 0.22 0.32 1.03 -0.10 0.61 112.91 116.46 1yuu h THR 15 Ca 0.14 -0.25 -0.33 0.00 -0.01 0.00 0.00 66.41 65.97 1yuu h THR 15 Cb 0.03 0.16 0.04 0.00 -1.07 0.00 0.00 68.15 67.31 1yuu h THR 15 CO -0.02 0.13 -1.41 -0.37 -0.01 0.00 0.00 175.52 173.83 1yuu h VAL 16 N 0.73 1.29 -0.53 0.00 -1.51 -0.92 -3.13 116.25 112.18 1yuu h VAL 16 Ca 0.36 -2.63 0.10 0.00 -1.23 0.00 0.00 66.70 63.30 1yuu h VAL 16 Cb 0.44 2.97 -0.09 0.00 -2.13 0.00 0.00 31.29 32.48 1yuu h VAL 16 CO -0.14 0.79 0.00 0.58 -1.23 0.00 0.00 177.57 177.58 1yuu h VAL 17 N 0.17 0.58 -0.92 7.19 2.07 0.51 0.17 116.25 126.01 1yuu h VAL 17 Ca -0.24 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.26 1yuu h VAL 17 Cb 2.10 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 32.28 1yuu h VAL 17 CO 0.27 0.02 0.61 0.00 0.02 0.00 0.00 177.57 178.49 1yuu h THR 18 N 0.12 1.21 -0.04 2.57 1.03 -1.05 0.11 112.91 116.85 1yuu h THR 18 Ca 0.27 -0.42 0.01 0.00 -0.01 0.00 0.00 66.41 66.26 1yuu h THR 18 Cb 0.41 -0.12 -0.01 0.00 -1.07 0.00 0.00 68.15 67.36 1yuu h THR 18 CO -0.44 0.22 -0.02 0.74 -0.01 0.00 0.00 175.52 176.01 1yuu h THR 19 N 1.22 0.94 0.07 0.00 2.02 -0.97 0.38 112.91 116.58 1yuu h THR 19 Ca 0.35 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.55 1yuu h THR 19 Cb -0.10 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.21 1yuu h THR 19 CO -0.09 0.00 -0.41 -0.26 0.37 0.00 0.00 175.52 175.13 1yuu h PHE 20 N -0.01 -1.15 0.11 3.16 0.04 -0.29 -1.84 116.94 116.96 1yuu h PHE 20 Ca 0.02 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.84 1yuu h PHE 20 Cb 0.05 0.49 -0.03 0.00 2.20 0.00 0.00 35.95 38.67 1yuu h PHE 20 CO -0.12 -0.50 -0.20 0.35 -0.60 0.00 0.00 178.31 177.24 1yuu h PHE 21 N -0.61 -0.53 -0.12 -0.55 3.57 -0.45 0.22 116.94 118.46 1yuu h PHE 21 Ca 0.03 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1yuu h PHE 21 Cb 0.66 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 1yuu h PHE 21 CO -0.38 -0.29 0.05 0.00 -2.23 0.00 0.00 178.31 175.45 1yuu h THR 22 N -0.38 1.15 -0.74 4.41 1.03 -0.88 -0.95 112.91 116.55 1yuu h THR 22 Ca 0.03 -0.47 -0.00 0.00 -0.01 0.00 0.00 66.41 65.96 1yuu h THR 22 Cb 0.40 1.25 -0.04 0.00 -1.07 0.00 0.00 68.15 68.69 1yuu h THR 22 CO -0.11 0.14 0.46 -0.26 -0.01 0.00 0.00 175.52 175.74 1yuu h PHE 23 N 0.03 0.96 0.00 0.00 -1.00 -1.12 -0.78 116.94 115.03 1yuu h PHE 23 Ca 0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1yuu h PHE 23 Cb 0.18 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 39.42 1yuu h PHE 23 CO -0.01 0.63 0.00 0.00 -1.61 0.00 0.00 178.31 177.32 1yuu h ALA 24 N 1.25 1.00 0.00 2.45 0.00 -0.27 -0.43 119.26 123.26 1yuu h ALA 24 Ca 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1yuu h ALA 24 Cb -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1yuu h ALA 24 CO -0.05 0.00 -0.01 0.07 0.00 0.00 0.00 179.25 179.26 1yuu h ARG 25 N 0.00 0.00 -0.53 0.00 0.11 0.27 -3.29 114.38 110.94 1yuu h ARG 25 Ca 0.00 0.00 0.05 0.00 0.10 0.00 0.00 59.98 60.13 1yuu h ARG 25 Cb 0.10 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.10 1yuu h ARG 25 CO 0.00 0.01 -0.40 0.37 0.10 0.00 0.00 179.97 180.04 1yuu h GLN 26 N 0.00 -0.11 -5.55 0.08 5.75 -1.14 -3.44 115.11 110.71 1yuu h GLN 26 Ca -0.00 0.01 -0.63 0.00 -0.15 0.00 0.00 58.65 57.88 1yuu h GLN 26 Cb 0.56 0.02 -0.13 0.00 1.07 0.00 0.00 27.48 29.00 1yuu h GLN 26 CO 0.00 -0.07 -0.59 -1.21 -2.65 0.00 0.00 178.83 174.31 1yuu s GLU 27 N -4.79 1.97 0.00 1.69 2.02 -1.26 -5.06 118.70 113.27 1yuu s GLU 27 Ca -0.09 -2.14 0.00 0.00 0.02 0.00 0.00 54.97 52.76 1yuu s GLU 27 Cb 0.07 -1.56 0.00 0.00 0.10 0.00 0.00 34.13 32.74 1yuu s GLU 27 CO 0.43 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 176.01 1yuu n GLY 28 N -1.00 0.00 1.70 -1.39 0.00 -1.26 -4.52 105.19 98.73 1yuu n GLY 28 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 1yuu n GLY 28 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1yuu n ARG 29 N 0.00 -1.86 -0.76 1.61 0.63 -1.26 -4.71 116.66 110.31 1yuu n ARG 29 Ca 0.00 1.68 -0.09 0.00 -0.92 0.00 0.00 57.85 58.52 1yuu n ARG 29 Cb 0.00 -2.31 -0.13 0.00 0.45 0.00 0.00 32.46 30.47 1yuu n ARG 29 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1yuu n LYS 30 N 0.67 1.53 0.14 -0.14 2.85 -1.24 -3.16 118.16 118.82 1yuu n LYS 30 Ca -0.08 -0.77 0.00 0.00 -1.05 0.00 0.00 58.31 56.41 1yuu n LYS 30 Cb 0.12 -1.89 0.00 0.00 -0.65 0.00 0.00 35.03 32.61 1yuu n LYS 30 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1yuu n ASP 31 N 2.64 -1.41 -4.81 -5.58 8.00 -1.26 -4.79 116.55 109.36 1yuu n ASP 31 Ca 0.33 0.52 -0.36 0.00 0.71 0.00 0.00 54.79 55.99 1yuu n ASP 31 Cb 0.69 1.46 -0.06 0.00 -0.02 0.00 0.00 41.12 43.19 1yuu n ASP 31 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1yuu s SER 32 N -3.84 7.13 -0.27 -2.24 1.04 -1.19 -4.30 113.70 110.03 1yuu s SER 32 Ca 0.00 1.54 -0.11 0.00 0.48 0.00 0.00 55.95 57.86 1yuu s SER 32 Cb 0.00 -2.47 -0.05 0.00 0.10 0.00 0.00 66.02 63.60 1yuu s SER 32 CO 0.00 -0.01 0.19 -0.76 0.98 0.00 0.00 173.24 173.64 1yuu s LEU 33 N -2.03 4.05 0.76 2.42 1.02 -0.25 -4.73 118.68 119.92 1yuu s LEU 33 Ca 0.45 0.04 -0.12 0.00 0.02 0.00 0.00 54.13 54.53 1yuu s LEU 33 Cb -0.17 -2.12 0.05 0.00 0.02 0.00 0.00 46.19 43.96 1yuu s LEU 33 CO 0.22 -0.01 1.13 -0.44 0.02 0.00 0.00 176.35 177.26 1yuu s SER 34 N 1.51 4.96 0.21 2.29 0.01 -1.26 -0.19 113.70 121.24 1yuu s SER 34 Ca 0.07 1.00 -0.08 0.00 1.31 0.00 0.00 55.95 58.25 1yuu s SER 34 Cb -0.15 -1.67 0.29 0.00 0.21 0.00 0.00 66.02 64.70 1yuu s SER 34 CO 0.09 -1.64 1.77 1.62 0.41 0.00 0.00 173.24 175.49 1yuu h VAL 35 N -0.86 0.85 0.75 3.43 3.04 -1.96 0.27 116.25 121.76 1yuu h VAL 35 Ca -0.46 -0.19 -0.04 0.00 -1.01 0.00 0.00 66.70 65.01 1yuu h VAL 35 Cb 1.29 0.26 0.01 0.00 -2.01 0.00 0.00 31.29 30.83 1yuu h VAL 35 CO 0.64 0.10 -0.36 -1.13 -1.01 0.00 0.00 177.57 175.81 1yuu h ASN 36 N 0.54 -0.85 -0.89 3.17 -1.24 -1.92 -1.24 115.58 113.15 1yuu h ASN 36 Ca 0.32 0.01 0.16 0.00 0.71 0.00 0.00 56.30 57.50 1yuu h ASN 36 Cb 0.33 0.22 -0.16 0.00 0.73 0.00 0.00 38.32 39.45 1yuu h ASN 36 CO -0.26 -0.55 -0.28 1.21 -1.29 0.00 0.00 177.43 176.26 1yuu n GLU 37 N -5.49 -0.14 0.26 6.67 2.13 -0.84 -0.30 120.64 122.93 1yuu n GLU 37 Ca -0.14 1.38 -0.16 0.00 0.66 0.00 0.00 57.16 58.90 1yuu n GLU 37 Cb 0.41 -2.05 -0.08 0.00 0.27 0.00 0.00 31.44 29.99 1yuu n GLU 37 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1yuu h PHE 38 N 0.00 -0.76 -0.76 4.31 3.57 -0.35 -0.78 116.94 122.17 1yuu h PHE 38 Ca 0.37 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.87 1yuu h PHE 38 Cb 0.59 0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 1yuu h PHE 38 CO -0.73 -0.44 0.50 -0.22 -2.23 0.00 0.00 178.31 175.19 1yuu h LYS 39 N -0.70 0.99 -0.85 1.11 3.64 0.38 -1.11 116.57 120.02 1yuu h LYS 39 Ca -0.05 -0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.42 1yuu h LYS 39 Cb 0.58 -0.22 -0.09 0.00 -0.41 0.00 0.00 32.23 32.09 1yuu h LYS 39 CO 0.03 0.65 0.44 0.93 -2.27 0.00 0.00 179.45 179.24 1yuu h GLU 40 N 1.02 0.61 -0.18 1.90 5.08 -0.42 0.16 114.58 122.76 1yuu h GLU 40 Ca 0.28 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1yuu h GLU 40 Cb -0.11 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 1yuu h GLU 40 CO -0.07 0.41 0.00 1.25 -1.00 0.00 0.00 179.01 179.60 1yuu h LEU 41 N 0.63 0.30 0.15 1.33 6.46 0.11 0.17 115.31 124.47 1yuu h LEU 41 Ca 0.47 -0.31 -0.01 0.00 -0.12 0.00 0.00 57.88 57.91 1yuu h LEU 41 Cb 0.65 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1yuu h LEU 41 CO -0.36 0.53 -0.07 -0.37 -0.62 0.00 0.00 178.44 177.55 1yuu h VAL 42 N 0.06 0.96 -0.43 1.05 -1.51 -0.93 0.33 116.25 115.78 1yuu h VAL 42 Ca 0.05 -0.45 0.08 0.00 -1.23 0.00 0.00 66.70 65.15 1yuu h VAL 42 Cb 0.38 1.24 -0.09 0.00 -2.13 0.00 0.00 31.29 30.68 1yuu h VAL 42 CO 0.01 0.11 -0.31 0.74 -1.23 0.00 0.00 177.57 176.89 1yuu h THR 43 N -0.41 0.24 0.00 7.19 2.02 -0.89 0.81 112.91 121.87 1yuu h THR 43 Ca -0.02 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 1yuu h THR 43 Cb 0.33 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1yuu h THR 43 CO 0.03 0.00 -0.02 -0.61 0.37 0.00 0.00 175.52 175.29 1yuu h GLN 44 N -0.22 0.00 0.21 6.66 4.15 -0.57 -3.36 115.11 121.98 1yuu h GLN 44 Ca 0.19 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.26 1yuu h GLN 44 Cb 0.53 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.24 1yuu h GLN 44 CO -0.55 0.52 -1.64 0.37 -1.93 0.00 0.00 178.83 175.60 1yuu h GLN 45 N -1.00 0.44 -2.35 1.69 4.15 -0.36 -3.39 115.11 114.30 1yuu h GLN 45 Ca -0.00 -0.76 -0.65 0.00 0.77 0.00 0.00 58.65 58.01 1yuu h GLN 45 Cb 0.53 0.28 -0.39 0.00 0.21 0.00 0.00 27.48 28.11 1yuu h GLN 45 CO -0.00 1.36 -0.28 1.28 -1.93 0.00 0.00 178.83 179.26 1yuu n LEU 46 N -3.63 4.46 -0.14 -2.39 7.99 0.28 -4.91 117.00 118.66 1yuu n LEU 46 Ca -0.21 -5.42 -0.05 0.00 -0.01 0.00 0.00 56.01 50.32 1yuu n LEU 46 Cb 1.09 -0.79 0.15 0.00 -0.11 0.00 0.00 43.42 43.75 1yuu n LEU 46 CO 0.55 2.01 0.91 1.55 -1.51 0.00 0.00 177.39 180.90 1yuu h PRO 47 N 4.33 0.86 0.00 3.23 0.13 -1.70 -3.38 132.00 135.47 1yuu h PRO 47 Ca 0.20 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1yuu h PRO 47 Cb 0.63 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.65 1yuu h PRO 47 CO 0.95 0.82 -0.81 0.72 -0.23 0.00 0.00 178.00 179.45 1yuu n HIS 48 N -4.23 0.00 0.29 1.56 8.25 -1.26 -4.75 115.22 115.08 1yuu n HIS 48 Ca 0.03 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.31 1yuu n HIS 48 Cb 0.28 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.29 1yuu n HIS 48 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1yuu h LEU 49 N 0.00 -1.40 -9.29 2.41 5.85 -1.94 -3.03 115.31 107.92 1yuu h LEU 49 Ca 0.00 0.11 -0.55 0.00 0.84 0.00 0.00 57.88 58.28 1yuu h LEU 49 Cb 0.81 0.46 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 1yuu h LEU 49 CO 0.00 -0.67 0.75 -0.76 -0.34 0.00 0.00 178.44 177.42 1yuu s LEU 50 N -10.13 4.27 0.00 2.25 1.43 -1.26 -4.63 118.68 110.61 1yuu s LEU 50 Ca -0.18 1.82 0.18 0.00 -1.03 0.00 0.00 54.13 54.93 1yuu s LEU 50 Cb 0.04 -3.55 -0.10 0.00 0.03 0.00 0.00 46.19 42.61 1yuu s LEU 50 CO 0.61 -0.63 0.86 2.29 0.23 0.00 0.00 176.35 179.70 1yuu n LYS 51 N 5.47 1.30 -3.64 1.70 0.00 -1.15 -4.53 118.16 117.31 1yuu n LYS 51 Ca 0.12 -0.45 -0.38 0.00 -0.00 0.00 0.00 58.31 57.60 1yuu n LYS 51 Cb 0.46 -1.35 -0.08 0.00 -0.00 0.00 0.00 35.03 34.06 1yuu n LYS 51 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1yuu s ASP 52 N -2.42 5.63 -0.27 -5.58 2.15 -1.26 -4.79 116.67 110.13 1yuu s ASP 52 Ca 0.11 -3.05 0.10 0.00 0.43 0.00 0.00 52.55 50.14 1yuu s ASP 52 Cb 0.14 -1.92 0.72 0.00 -0.30 0.00 0.00 42.92 41.56 1yuu s ASP 52 CO 0.61 -0.35 1.70 1.33 -0.17 0.00 0.00 175.17 178.29 1yuu n VAL 53 N 3.26 2.67 0.00 1.11 0.24 -1.26 -4.60 118.33 119.75 1yuu n VAL 53 Ca 0.12 -1.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.01 1yuu n VAL 53 Cb 0.39 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 1yuu n VAL 53 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1yuu n GLY 54 N 0.16 -0.01 2.40 7.63 0.00 -1.26 -4.69 105.19 109.41 1yuu n GLY 54 Ca 0.33 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.97 1yuu n GLY 54 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1yuu n SER 55 N -1.63 7.73 0.14 1.61 7.64 -1.26 -4.54 113.62 123.32 1yuu n SER 55 Ca 0.00 -2.59 -0.00 0.00 1.01 0.00 0.00 58.87 57.29 1yuu n SER 55 Cb 0.00 -1.53 0.20 0.00 -1.01 0.00 0.00 64.21 61.87 1yuu n SER 55 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1yuu h LEU 56 N 7.60 0.00 0.25 -3.43 7.12 -1.85 -3.19 115.31 121.81 1yuu h LEU 56 Ca 0.80 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.81 1yuu h LEU 56 Cb 0.33 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.44 1yuu h LEU 56 CO 1.78 0.58 -0.34 -2.24 -0.13 0.00 0.00 178.44 178.09 1yuu h ASP 57 N 0.00 -0.96 -0.49 1.25 2.03 -1.99 0.25 116.42 116.50 1yuu h ASP 57 Ca -0.01 0.09 0.05 0.00 -0.73 0.00 0.00 57.03 56.43 1yuu h ASP 57 Cb 1.05 0.33 -0.03 0.00 -0.83 0.00 0.00 39.33 39.85 1yuu h ASP 57 CO 0.08 -0.42 0.33 1.05 -1.03 0.00 0.00 179.24 179.24 1yuu h GLU 58 N -0.61 0.44 0.39 4.15 4.11 -1.97 -0.47 114.58 120.62 1yuu h GLU 58 Ca -0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 1yuu h GLU 58 Cb 0.55 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1yuu h GLU 58 CO -0.09 0.29 -0.36 0.87 0.07 0.00 0.00 179.01 179.79 1yuu h LYS 59 N 0.45 -0.73 -0.63 1.06 6.56 -1.45 0.75 116.57 122.58 1yuu h LYS 59 Ca 0.21 0.05 0.13 0.00 -1.06 0.00 0.00 60.65 59.97 1yuu h LYS 59 Cb 0.25 0.17 -0.12 0.00 -0.57 0.00 0.00 32.23 31.96 1yuu h LYS 59 CO -0.05 -0.49 -0.18 1.98 -2.06 0.00 0.00 179.45 178.64 1yuu h MET 60 N -0.76 -0.02 -0.84 3.15 4.05 0.98 0.22 114.93 121.70 1yuu h MET 60 Ca -0.03 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.40 1yuu h MET 60 Cb 0.68 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.44 1yuu h MET 60 CO -0.05 -0.02 0.54 0.87 0.23 0.00 0.00 176.91 178.49 1yuu h LYS 61 N -0.03 1.11 -0.10 0.39 6.56 -0.76 0.19 116.57 123.94 1yuu h LYS 61 Ca 0.30 -0.07 -0.03 0.00 -1.06 0.00 0.00 60.65 59.78 1yuu h LYS 61 Cb 0.48 -0.25 -0.00 0.00 -0.57 0.00 0.00 32.23 31.89 1yuu h LYS 61 CO -0.66 0.74 -0.06 0.77 -2.06 0.00 0.00 179.45 178.18 1yuu h SER 62 N 1.14 0.23 -0.01 0.86 0.02 0.17 -3.35 113.55 112.60 1yuu h SER 62 Ca 0.31 -0.43 -0.03 0.00 -0.84 0.00 0.00 61.79 60.80 1yuu h SER 62 Cb -0.11 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.37 1yuu h SER 62 CO -0.06 0.61 -0.09 -0.07 -1.14 0.00 0.00 176.83 176.07 1yuu h LEU 63 N -0.15 0.11 -7.64 5.07 4.07 -0.48 -3.40 115.31 112.87 1yuu h LEU 63 Ca 0.02 -0.69 -0.56 0.00 0.08 0.00 0.00 57.88 56.73 1yuu h LEU 63 Cb 0.53 -0.03 -0.05 0.00 1.08 0.00 0.00 40.66 42.18 1yuu h LEU 63 CO 0.02 0.78 1.89 -0.67 -1.08 0.00 0.00 178.44 179.38 1yuu n ASP 64 N -4.66 4.02 -0.34 -0.43 -0.08 0.66 -4.71 116.55 111.00 1yuu n ASP 64 Ca -0.09 -2.82 0.24 0.00 -1.51 0.00 0.00 54.79 50.61 1yuu n ASP 64 Cb 0.39 -1.70 0.50 0.00 2.34 0.00 0.00 41.12 42.65 1yuu n ASP 64 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1yuu h VAL 65 N 5.56 0.45 -0.00 5.18 -1.51 -1.82 0.24 116.25 124.36 1yuu h VAL 65 Ca 0.38 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.71 1yuu h VAL 65 Cb 0.86 0.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.05 1yuu h VAL 65 CO 1.45 0.07 -0.68 -0.46 -1.23 0.00 0.00 177.57 176.72 1yuu n ASN 66 N -4.73 1.04 -3.58 4.19 6.94 -1.26 -5.01 115.26 112.86 1yuu n ASN 66 Ca 0.28 -0.87 -0.23 0.00 -0.02 0.00 0.00 54.58 53.74 1yuu n ASN 66 Cb 0.93 0.60 0.05 0.00 -2.36 0.00 0.00 39.78 39.00 1yuu n ASN 66 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 1yuu n GLN 67 N -1.15 -3.34 0.01 -3.83 7.27 0.85 -4.95 117.38 112.24 1yuu n GLN 67 Ca 0.06 0.64 -0.22 0.00 0.07 0.00 0.00 57.00 57.55 1yuu n GLN 67 Cb 0.36 -5.05 -0.14 0.00 2.41 0.00 0.00 30.24 27.81 1yuu n GLN 67 CO 0.00 0.00 0.00 0.38 0.07 0.00 0.00 177.06 177.51 1yuu h ASP 68 N -1.70 0.39 0.00 1.69 3.04 -1.95 -3.49 116.42 114.40 1yuu h ASP 68 Ca -0.63 -0.86 0.00 0.00 -3.24 0.00 0.00 57.03 52.31 1yuu h ASP 68 Cb 1.35 -0.13 0.00 0.00 -1.04 0.00 0.00 39.33 39.51 1yuu h ASP 68 CO 0.51 1.70 0.00 -1.20 -2.04 0.00 0.00 179.24 178.21 1yuu n SER 69 N -3.81 0.00 -4.22 4.15 7.64 -1.26 -5.08 113.62 111.04 1yuu n SER 69 Ca -0.27 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.25 1yuu n SER 69 Cb 0.94 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 64.01 1yuu n SER 69 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1yuu s GLU 70 N -0.55 2.61 -1.02 1.43 2.02 -1.26 -2.92 118.70 119.01 1yuu s GLU 70 Ca 0.00 -1.15 -0.23 0.00 0.02 0.00 0.00 54.97 53.61 1yuu s GLU 70 Cb 0.00 -3.23 0.05 0.00 0.10 0.00 0.00 34.13 31.05 1yuu s GLU 70 CO 0.00 -0.57 1.46 -0.51 0.02 0.00 0.00 175.26 175.65 1yuu s LEU 71 N 1.33 3.50 0.76 1.80 2.01 0.74 -4.87 118.68 123.95 1yuu s LEU 71 Ca -0.03 -1.45 -0.11 0.00 0.01 0.00 0.00 54.13 52.56 1yuu s LEU 71 Cb -0.19 -2.57 0.05 0.00 0.01 0.00 0.00 46.19 43.49 1yuu s LEU 71 CO -0.00 -1.52 1.08 -0.75 1.01 0.00 0.00 176.35 176.17 1yuu s LYS 72 N 4.99 2.39 0.15 1.70 2.20 -1.26 -1.09 119.74 128.82 1yuu s LYS 72 Ca 0.46 1.09 -0.29 0.00 -0.36 0.00 0.00 55.97 56.87 1yuu s LYS 72 Cb -0.00 -1.92 -0.07 0.00 -1.51 0.00 0.00 37.83 34.34 1yuu s LYS 72 CO -0.10 -1.52 1.50 0.35 -0.36 0.00 0.00 175.35 175.22 1yuu h PHE 73 N -1.04 -1.76 0.00 4.03 3.04 -1.94 0.35 116.94 119.62 1yuu h PHE 73 Ca -0.44 0.12 -0.00 0.00 3.98 0.00 0.00 57.97 61.63 1yuu h PHE 73 Cb 1.23 0.89 -0.00 0.00 2.56 0.00 0.00 35.95 40.63 1yuu h PHE 73 CO 0.58 -0.35 -0.00 -0.97 -2.02 0.00 0.00 178.31 175.56 1yuu h ASN 74 N -0.01 0.00 0.15 0.41 -1.24 -1.96 0.28 115.58 113.21 1yuu h ASN 74 Ca 0.15 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.15 1yuu h ASN 74 Cb 0.38 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.43 1yuu h ASN 74 CO -0.87 0.00 -0.07 -0.33 -1.29 0.00 0.00 177.43 174.87 1yuu h GLU 75 N 0.00 -0.19 -1.01 6.67 5.08 -0.72 -3.34 114.58 121.07 1yuu h GLU 75 Ca -0.00 0.01 0.31 0.00 -1.00 0.00 0.00 59.36 58.69 1yuu h GLU 75 Cb 0.48 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 29.63 1yuu h GLU 75 CO 0.00 -0.13 0.59 -0.92 -1.00 0.00 0.00 179.01 177.55 1yuu h TYR 76 N -0.92 0.92 -0.95 4.33 3.20 -0.74 -0.23 116.97 122.58 1yuu h TYR 76 Ca -0.02 0.04 0.33 0.00 3.14 0.00 0.00 58.73 62.21 1yuu h TYR 76 Cb 0.15 -0.25 -0.18 0.00 1.54 0.00 0.00 36.73 38.00 1yuu h TYR 76 CO 0.01 -0.14 0.24 1.87 -1.64 0.00 0.00 178.16 178.50 1yuu n TRP 77 N -5.00 0.84 -0.34 -3.82 -0.00 0.08 0.08 117.44 109.28 1yuu n TRP 77 Ca 0.31 1.14 0.18 0.00 -0.00 0.00 0.00 57.50 59.13 1yuu n TRP 77 Cb 0.96 -1.36 0.40 0.00 -0.00 0.00 0.00 31.31 31.32 1yuu n TRP 77 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1yuu h ARG 78 N 0.00 0.57 -0.80 5.87 -0.00 -1.20 0.16 114.38 118.98 1yuu h ARG 78 Ca 0.68 -0.03 0.06 0.00 -0.50 0.00 0.00 59.98 60.19 1yuu h ARG 78 Cb 1.62 -0.13 -0.06 0.00 0.00 0.00 0.00 29.97 31.41 1yuu h ARG 78 CO -0.82 0.37 0.49 1.25 0.00 0.00 0.00 179.97 181.26 1yuu h LEU 79 N 0.58 0.76 -0.29 3.04 5.85 -0.55 0.36 115.31 125.06 1yuu h LEU 79 Ca 0.61 0.02 -0.16 0.00 0.84 0.00 0.00 57.88 59.19 1yuu h LEU 79 Cb 1.20 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 1yuu h LEU 79 CO -0.39 0.48 -0.44 0.40 -0.34 0.00 0.00 178.44 178.15 1yuu h ILE 80 N 0.89 1.29 -0.79 4.05 1.08 -0.84 0.21 117.51 123.40 1yuu h ILE 80 Ca 0.35 -1.63 -0.01 0.00 -0.39 0.00 0.00 64.86 63.19 1yuu h ILE 80 Cb 0.17 1.62 -0.04 0.00 -3.07 0.00 0.00 36.82 35.50 1yuu h ILE 80 CO -0.17 0.53 0.46 1.23 -0.69 0.00 0.00 178.15 179.51 1yuu h GLY 81 N 0.58 1.15 0.08 5.37 0.00 -0.48 -0.01 103.07 109.76 1yuu h GLY 81 Ca 0.03 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1yuu h GLY 81 CO 0.10 0.47 -0.22 0.83 0.00 0.00 0.00 176.54 177.72 1yuu h GLU 82 N 1.09 0.03 -0.68 4.80 4.39 -0.12 -2.71 114.58 121.38 1yuu h GLU 82 Ca 0.28 -0.06 0.12 0.00 0.34 0.00 0.00 59.36 60.05 1yuu h GLU 82 Cb -0.02 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 1yuu h GLU 82 CO -0.05 1.03 0.46 1.37 -1.16 0.00 0.00 179.01 180.65 1yuu h LEU 83 N -0.93 0.39 -0.98 1.33 8.10 -0.54 0.76 115.31 123.44 1yuu h LEU 83 Ca -0.05 0.02 0.06 0.00 0.11 0.00 0.00 57.88 58.02 1yuu h LEU 83 Cb 1.10 -0.06 -0.07 0.00 -0.44 0.00 0.00 40.66 41.20 1yuu h LEU 83 CO -0.00 0.22 0.63 0.00 -4.11 0.00 0.00 178.44 175.17 1yuu h ALA 84 N 1.67 1.35 -0.12 0.17 0.00 -1.02 -2.56 119.26 118.75 1yuu h ALA 84 Ca 0.33 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1yuu h ALA 84 Cb 0.70 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1yuu h ALA 84 CO -0.10 0.43 0.03 -0.22 0.00 0.00 0.00 179.25 179.39 1yuu h LYS 85 N 1.15 0.18 0.00 0.00 1.63 0.66 -3.37 116.57 116.83 1yuu h LYS 85 Ca 0.42 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 60.16 1yuu h LYS 85 Cb 0.15 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1yuu h LYS 85 CO -0.17 0.34 -0.10 0.93 -3.45 0.00 0.00 179.45 177.01 1yuu h GLU 86 N -0.01 0.00 -0.99 1.90 4.39 -0.01 0.42 114.58 120.29 1yuu h GLU 86 Ca 0.04 0.00 0.21 0.00 0.34 0.00 0.00 59.36 59.95 1yuu h GLU 86 Cb 0.24 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.79 1yuu h GLU 86 CO -0.00 0.10 0.62 0.97 -1.16 0.00 0.00 179.01 179.54 1yuu h ILE 87 N 0.00 0.65 0.00 3.13 2.10 -1.72 -2.92 117.51 118.75 1yuu h ILE 87 Ca -0.00 -0.20 -0.08 0.00 1.08 0.00 0.00 64.86 65.66 1yuu h ILE 87 Cb 0.19 0.01 -0.01 0.00 -1.09 0.00 0.00 36.82 35.92 1yuu h ILE 87 CO 0.01 0.11 -0.59 -0.09 -1.08 0.00 0.00 178.15 176.51 1yuu h ARG 88 N 0.59 0.00 -3.47 2.19 1.12 -0.55 -3.43 114.38 110.83 1yuu h ARG 88 Ca 0.56 0.00 -0.58 0.00 -1.11 0.00 0.00 59.98 58.86 1yuu h ARG 88 Cb 1.12 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 31.09 1yuu h ARG 88 CO -0.32 0.49 3.16 1.17 -3.11 0.00 0.00 179.97 181.36 1yuu n LYS 89 N -4.58 2.79 0.18 0.20 4.81 0.44 -4.10 118.16 117.90 1yuu n LYS 89 Ca -0.15 -1.98 0.12 0.00 -0.87 0.00 0.00 58.31 55.44 1yuu n LYS 89 Cb 0.39 -2.77 0.24 0.00 0.02 0.00 0.00 35.03 32.90 1yuu n LYS 89 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1yuu h LYS 90 N 5.92 0.00 0.00 1.64 3.64 -1.85 -3.43 116.57 122.48 1yuu h LYS 90 Ca 0.65 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.03 1yuu h LYS 90 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1yuu h LYS 90 CO 1.71 0.00 -0.74 0.36 -2.27 0.00 0.00 179.45 178.51 1yuu n LYS 91 N -2.82 0.00 0.00 1.90 2.85 -1.26 -4.98 118.16 113.85 1yuu n LYS 91 Ca 0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 1yuu n LYS 91 Cb 0.50 -0.81 0.00 0.00 -0.65 0.00 0.00 35.03 34.07 1yuu n LYS 91 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1yuu n ASP 92 N -2.31 0.00 -0.92 -5.58 8.00 -1.26 -0.51 116.55 113.96 1yuu n ASP 92 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.44 1yuu n ASP 92 Cb 0.37 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.41 1yuu n ASP 92 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yuu n LEU 93 N 0.00 -0.84 -3.95 0.64 -0.00 -1.26 -4.99 117.00 106.60 1yuu n LEU 93 Ca 0.00 -1.72 -0.09 0.00 -0.00 0.00 0.00 56.01 54.20 1yuu n LEU 93 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 1yuu n LEU 93 CO 0.00 1.36 0.29 -1.59 -0.00 0.00 0.00 177.39 177.45 1yuu s LYS 94 N 0.00 1.68 -0.73 1.47 -2.85 0.33 -5.06 119.74 114.58 1yuu s LYS 94 Ca 0.00 -1.19 -0.03 0.00 -1.00 0.00 0.00 55.97 53.74 1yuu s LYS 94 Cb 0.00 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.30 1yuu s LYS 94 CO 0.00 -0.73 0.66 1.51 0.10 0.00 0.00 175.35 176.89 1yuu n ILE 95 N -0.42 -7.83 -0.98 3.79 0.00 -1.26 -4.67 119.36 107.99 1yuu n ILE 95 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 62.75 62.67 1yuu n ILE 95 Cb 0.61 -5.56 0.00 0.00 0.00 0.00 0.00 39.64 34.69 1yuu n ILE 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1yuu n ARG 96 N -1.84 -2.79 0.00 9.51 5.12 -1.26 -5.01 116.66 120.40 1yuu n ARG 96 Ca -0.10 2.04 0.00 0.00 -1.93 0.00 0.00 57.85 57.87 1yuu n ARG 96 Cb 0.57 -2.27 0.00 0.00 -1.16 0.00 0.00 32.46 29.60 1yuu n ARG 96 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1yuu n LYS 97 N -0.41 0.00 0.00 5.56 -0.00 -1.26 -4.94 118.16 117.11 1yuu n LYS 97 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1yuu n LYS 97 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1yuu n LYS 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03