#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yuu n ALA 2 N 0.00 0.00 0.00 3.04 0.00 -1.26 -4.97 120.51 117.32 1yuu n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1yuu n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1yuu n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yuu n ALA 3 N -3.00 0.00 -2.41 0.00 0.00 -1.26 -5.12 120.51 108.72 1yuu n ALA 3 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1yuu n ALA 3 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1yuu n ALA 3 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1yuu s GLU 4 N -1.31 3.99 -0.67 0.00 1.03 -1.26 -4.98 118.70 115.51 1yuu s GLU 4 Ca 0.00 1.38 -0.27 0.00 0.03 0.00 0.00 54.97 56.11 1yuu s GLU 4 Cb 0.00 -3.86 0.02 0.00 -0.80 0.00 0.00 34.13 29.49 1yuu s GLU 4 CO 0.00 -1.02 1.43 -1.25 -1.33 0.00 0.00 175.26 173.10 1yuu s PRO 5 N 4.01 3.10 0.71 -4.83 0.04 -1.26 -5.00 135.00 131.77 1yuu s PRO 5 Ca 0.56 0.11 -0.13 0.00 0.04 0.00 0.00 61.00 61.59 1yuu s PRO 5 Cb -0.18 -4.21 0.02 0.00 0.04 0.00 0.00 34.50 30.17 1yuu s PRO 5 CO 0.21 -2.22 1.09 -0.51 0.04 0.00 0.00 177.00 175.62 1yuu s LEU 6 N 6.51 3.21 0.22 -3.56 1.43 -1.26 -4.99 118.68 120.24 1yuu s LEU 6 Ca 0.46 1.87 -0.31 0.00 -1.03 0.00 0.00 54.13 55.13 1yuu s LEU 6 Cb -0.10 -4.53 -0.15 0.00 0.03 0.00 0.00 46.19 41.44 1yuu s LEU 6 CO 0.19 -1.77 1.06 0.41 0.23 0.00 0.00 176.35 176.47 1yuu n THR 7 N -2.97 1.38 -0.22 5.49 -1.04 -1.26 -4.69 114.28 110.97 1yuu n THR 7 Ca 0.09 -0.34 -0.05 0.00 -2.04 0.00 0.00 64.05 61.71 1yuu n THR 7 Cb 0.53 -0.84 0.01 0.00 -1.82 0.00 0.00 70.33 68.20 1yuu n THR 7 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1yuu h GLU 8 N 2.69 -0.15 -0.66 -2.82 5.08 -1.99 0.20 114.58 116.94 1yuu h GLU 8 Ca -0.41 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.01 1yuu h GLU 8 Cb 1.35 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.58 1yuu h GLU 8 CO 0.66 -0.10 0.38 -0.07 -1.00 0.00 0.00 179.01 178.88 1yuu h LEU 9 N -0.15 0.60 0.07 1.33 3.38 -1.99 -0.01 115.31 118.54 1yuu h LEU 9 Ca 0.24 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1yuu h LEU 9 Cb 0.55 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1yuu h LEU 9 CO -0.70 0.40 -0.08 -0.33 0.09 0.00 0.00 178.44 177.82 1yuu h GLU 10 N 0.73 -0.16 -0.18 1.13 5.08 -1.43 -0.08 114.58 119.67 1yuu h GLU 10 Ca 0.28 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.70 1yuu h GLU 10 Cb 0.11 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.32 1yuu h GLU 10 CO -0.14 -0.11 -0.36 0.93 -1.00 0.00 0.00 179.01 178.33 1yuu h GLU 11 N -0.17 -0.39 -0.64 2.33 4.39 -0.36 0.16 114.58 119.90 1yuu h GLU 11 Ca 0.01 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 1yuu h GLU 11 Cb 0.17 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 1yuu h GLU 11 CO -0.02 -0.26 0.27 0.66 -1.16 0.00 0.00 179.01 178.50 1yuu h SER 12 N -0.40 0.87 0.30 1.42 4.64 -0.79 -1.59 113.55 117.99 1yuu h SER 12 Ca 0.10 -0.16 -0.14 0.00 -0.47 0.00 0.00 61.79 61.12 1yuu h SER 12 Cb 0.57 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1yuu h SER 12 CO -0.40 0.79 -0.58 0.16 -0.87 0.00 0.00 176.83 175.93 1yuu h ILE 13 N 0.89 1.37 0.69 0.95 -0.00 -0.77 -3.22 117.51 117.42 1yuu h ILE 13 Ca 0.22 -1.91 -0.03 0.00 -0.00 0.00 0.00 64.86 63.14 1yuu h ILE 13 Cb 0.18 1.93 0.01 0.00 -0.00 0.00 0.00 36.82 38.94 1yuu h ILE 13 CO -0.02 0.57 -0.33 -0.08 -0.00 0.00 0.00 178.15 178.29 1yuu h GLU 14 N 0.22 -0.89 -0.93 0.16 4.22 -0.26 -0.96 114.58 116.13 1yuu h GLU 14 Ca -0.00 0.06 0.18 0.00 0.08 0.00 0.00 59.36 59.68 1yuu h GLU 14 Cb 1.08 0.20 -0.10 0.00 0.50 0.00 0.00 28.75 30.42 1yuu h GLU 14 CO 0.09 -0.58 0.52 0.00 -2.18 0.00 0.00 179.01 176.86 1yuu h THR 15 N -0.99 0.68 -0.19 0.32 1.03 -1.33 0.33 112.91 112.75 1yuu h THR 15 Ca -0.09 -0.23 -0.18 0.00 -0.01 0.00 0.00 66.41 65.90 1yuu h THR 15 Cb 0.73 -0.04 -0.00 0.00 -1.07 0.00 0.00 68.15 67.77 1yuu h THR 15 CO 0.16 0.12 -0.60 -0.37 -0.01 0.00 0.00 175.52 174.82 1yuu h VAL 16 N 0.66 1.31 0.23 0.00 -1.51 -1.56 -0.49 116.25 114.90 1yuu h VAL 16 Ca 0.53 -1.85 -0.01 0.00 -1.23 0.00 0.00 66.70 64.15 1yuu h VAL 16 Cb 0.83 1.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.80 1yuu h VAL 16 CO -0.40 0.58 -0.11 0.58 -1.23 0.00 0.00 177.57 176.99 1yuu h VAL 17 N 0.48 0.78 -0.50 7.19 2.07 0.92 0.18 116.25 127.37 1yuu h VAL 17 Ca -0.00 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1yuu h VAL 17 Cb 1.17 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1yuu h VAL 17 CO 0.12 0.01 0.32 0.00 0.02 0.00 0.00 177.57 178.03 1yuu h THR 18 N -0.32 1.10 -0.40 2.57 1.03 -0.69 0.99 112.91 117.19 1yuu h THR 18 Ca -0.03 -0.22 0.04 0.00 -0.01 0.00 0.00 66.41 66.18 1yuu h THR 18 Cb 0.25 0.39 -0.04 0.00 -1.07 0.00 0.00 68.15 67.68 1yuu h THR 18 CO 0.05 0.12 0.18 0.74 -0.01 0.00 0.00 175.52 176.60 1yuu h THR 19 N 0.65 0.94 -0.19 0.00 2.02 -0.97 0.83 112.91 116.20 1yuu h THR 19 Ca 0.19 -0.13 0.05 0.00 0.77 0.00 0.00 66.41 67.29 1yuu h THR 19 Cb -0.04 0.54 -0.07 0.00 -1.74 0.00 0.00 68.15 66.84 1yuu h THR 19 CO -0.06 0.07 -0.41 0.15 0.37 0.00 0.00 175.52 175.64 1yuu h PHE 20 N 0.37 -1.16 -0.27 3.16 3.57 -0.17 -1.03 116.94 121.42 1yuu h PHE 20 Ca 0.18 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.76 1yuu h PHE 20 Cb 0.11 0.54 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 1yuu h PHE 20 CO -0.12 -0.46 0.08 0.74 -2.23 0.00 0.00 178.31 176.32 1yuu h PHE 21 N -0.44 0.13 0.65 0.41 0.04 0.16 0.27 116.94 118.16 1yuu h PHE 21 Ca 0.09 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.85 1yuu h PHE 21 Cb 0.61 -0.02 0.01 0.00 2.20 0.00 0.00 35.95 38.74 1yuu h PHE 21 CO -0.50 0.05 -0.31 1.79 -0.60 0.00 0.00 178.31 178.74 1yuu h THR 22 N 0.19 0.35 -0.96 -1.55 1.35 -0.70 -2.69 112.91 108.89 1yuu h THR 22 Ca 0.12 -0.03 0.11 0.00 -0.55 0.00 0.00 66.41 66.06 1yuu h THR 22 Cb 0.10 0.37 -0.08 0.00 -1.73 0.00 0.00 68.15 66.81 1yuu h THR 22 CO -0.14 0.00 0.61 -0.26 -0.25 0.00 0.00 175.52 175.49 1yuu h PHE 23 N -0.90 1.06 0.00 4.73 -1.00 -0.94 -1.21 116.94 118.68 1yuu h PHE 23 Ca -0.09 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.72 1yuu h PHE 23 Cb 0.68 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 39.90 1yuu h PHE 23 CO -0.02 0.44 0.00 0.00 -1.61 0.00 0.00 178.31 177.12 1yuu h ALA 24 N 1.55 1.00 -0.04 2.45 0.00 -0.16 -0.87 119.26 123.20 1yuu h ALA 24 Ca 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.29 1yuu h ALA 24 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1yuu h ALA 24 CO -0.23 0.00 -0.39 0.07 0.00 0.00 0.00 179.25 178.70 1yuu h ARG 25 N 0.00 0.08 -0.25 0.00 -0.00 -0.93 -3.31 114.38 109.97 1yuu h ARG 25 Ca 0.00 -0.03 0.03 0.00 -0.00 0.00 0.00 59.98 59.98 1yuu h ARG 25 Cb 0.07 -0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 29.99 1yuu h ARG 25 CO 0.00 0.45 -0.34 0.37 -0.00 0.00 0.00 179.97 180.46 1yuu h GLN 26 N 0.07 -0.23 -3.68 0.08 5.75 -1.30 -2.40 115.11 113.40 1yuu h GLN 26 Ca 0.00 0.02 -0.79 0.00 -0.15 0.00 0.00 58.65 57.73 1yuu h GLN 26 Cb 0.72 0.05 -0.27 0.00 1.07 0.00 0.00 27.48 29.05 1yuu h GLN 26 CO 0.05 -0.15 0.54 -1.21 -2.65 0.00 0.00 178.83 175.42 1yuu s GLU 27 N -4.59 4.20 0.00 1.69 2.02 -1.26 -5.01 118.70 115.75 1yuu s GLU 27 Ca -0.09 -3.16 0.00 0.00 0.02 0.00 0.00 54.97 51.74 1yuu s GLU 27 Cb 0.05 -4.61 0.00 0.00 0.10 0.00 0.00 34.13 29.67 1yuu s GLU 27 CO 0.37 -1.29 0.00 0.41 0.02 0.00 0.00 175.26 174.77 1yuu n GLY 28 N 2.83 0.62 2.71 -1.39 0.00 -0.90 -4.79 105.19 104.27 1yuu n GLY 28 Ca 0.25 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 1yuu n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yuu n ARG 29 N 0.00 -1.14 0.00 1.61 1.74 -1.26 -4.27 116.66 113.34 1yuu n ARG 29 Ca 0.00 0.92 0.00 0.00 -0.77 0.00 0.00 57.85 58.00 1yuu n ARG 29 Cb 0.00 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 1yuu n ARG 29 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1yuu n LYS 30 N 0.10 0.71 0.00 5.56 2.85 -1.24 -2.69 118.16 123.44 1yuu n LYS 30 Ca -0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 1yuu n LYS 30 Cb 0.46 -1.15 0.00 0.00 -0.65 0.00 0.00 35.03 33.69 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 0.63 0.00 -4.74 -5.58 9.92 -1.26 -4.63 116.55 110.89 1yuu n ASP 31 Ca 0.00 0.00 -0.40 0.00 -0.53 0.00 0.00 54.79 53.86 1yuu n ASP 31 Cb 0.35 0.07 -0.05 0.00 -0.64 0.00 0.00 41.12 40.85 1yuu n ASP 31 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1yuu s SER 32 N -3.51 7.20 -0.25 -2.24 1.04 -1.10 -4.26 113.70 110.59 1yuu s SER 32 Ca 0.00 1.44 -0.19 0.00 0.48 0.00 0.00 55.95 57.67 1yuu s SER 32 Cb 0.00 -2.47 -0.02 0.00 0.10 0.00 0.00 66.02 63.63 1yuu s SER 32 CO 0.00 -0.01 0.58 -0.76 0.98 0.00 0.00 173.24 174.04 1yuu s LEU 33 N 0.05 4.07 0.00 2.42 2.01 -0.35 -4.84 118.68 122.04 1yuu s LEU 33 Ca 0.39 0.66 -0.09 0.00 0.01 0.00 0.00 54.13 55.10 1yuu s LEU 33 Cb -0.20 -2.79 0.19 0.00 0.01 0.00 0.00 46.19 43.40 1yuu s LEU 33 CO 0.23 -0.32 1.21 -0.24 1.01 0.00 0.00 176.35 178.24 1yuu n SER 34 N 5.51 0.67 0.33 2.29 2.88 -1.26 -0.51 113.62 123.53 1yuu n SER 34 Ca -0.02 -1.79 -0.18 0.00 -1.33 0.00 0.00 58.87 55.55 1yuu n SER 34 Cb 0.49 -0.87 -0.09 0.00 -0.75 0.00 0.00 64.21 63.00 1yuu n SER 34 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1yuu h VAL 35 N -1.26 0.16 -0.14 2.46 2.07 -1.99 0.49 116.25 118.04 1yuu h VAL 35 Ca -0.39 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1yuu h VAL 35 Cb 1.22 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1yuu h VAL 35 CO 0.33 0.00 0.05 -1.13 0.02 0.00 0.00 177.57 176.85 1yuu h ASN 36 N -0.97 0.19 -0.96 0.57 -0.73 -1.98 -0.95 115.58 110.75 1yuu h ASN 36 Ca -0.07 -0.16 0.17 0.00 1.87 0.00 0.00 56.30 58.10 1yuu h ASN 36 Cb 0.80 -0.05 -0.17 0.00 0.27 0.00 0.00 38.32 39.18 1yuu h ASN 36 CO 0.03 0.30 -0.32 -0.62 -0.37 0.00 0.00 177.43 176.46 1yuu n GLU 37 N -4.89 -0.17 0.20 6.67 1.02 -1.17 -0.03 120.64 122.28 1yuu n GLU 37 Ca -0.05 1.48 -0.15 0.00 -0.02 0.00 0.00 57.16 58.42 1yuu n GLU 37 Cb 0.12 -2.21 -0.08 0.00 -0.02 0.00 0.00 31.44 29.25 1yuu n GLU 37 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1yuu h PHE 38 N 0.00 -0.44 -0.76 -0.32 3.57 -0.54 -3.16 116.94 115.29 1yuu h PHE 38 Ca 0.38 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.92 1yuu h PHE 38 Cb 0.62 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.46 1yuu h PHE 38 CO -0.80 -0.21 0.50 -0.22 -2.23 0.00 0.00 178.31 175.35 1yuu h LYS 39 N -0.57 0.85 -0.97 1.11 3.64 0.73 0.10 116.57 121.46 1yuu h LYS 39 Ca -0.05 -0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.42 1yuu h LYS 39 Cb 0.42 -0.19 -0.09 0.00 -0.41 0.00 0.00 32.23 31.96 1yuu h LYS 39 CO 0.08 0.56 0.59 0.93 -2.27 0.00 0.00 179.45 179.34 1yuu h GLU 40 N 0.87 0.86 -0.34 1.90 4.39 -0.46 0.98 114.58 122.78 1yuu h GLU 40 Ca 0.31 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.90 1yuu h GLU 40 Cb 0.14 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1yuu h GLU 40 CO -0.10 0.57 -0.04 1.25 -1.16 0.00 0.00 179.01 179.53 1yuu h LEU 41 N 0.88 0.63 -0.36 1.33 5.85 -0.76 0.20 115.31 123.09 1yuu h LEU 41 Ca 0.50 -0.34 -0.13 0.00 0.84 0.00 0.00 57.88 58.75 1yuu h LEU 41 Cb 0.58 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1yuu h LEU 41 CO -0.30 0.82 -0.61 -0.37 -0.34 0.00 0.00 178.44 177.64 1yuu h VAL 42 N 0.43 1.17 0.16 1.05 -1.51 -1.30 0.12 116.25 116.37 1yuu h VAL 42 Ca 0.09 -2.32 -0.01 0.00 -1.23 0.00 0.00 66.70 63.23 1yuu h VAL 42 Cb 0.52 2.36 0.00 0.00 -2.13 0.00 0.00 31.29 32.04 1yuu h VAL 42 CO 0.03 0.60 -0.08 0.74 -1.23 0.00 0.00 177.57 177.62 1yuu h THR 43 N 0.00 0.79 0.00 7.19 2.02 -0.74 -3.38 112.91 118.80 1yuu h THR 43 Ca -0.01 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.03 1yuu h THR 43 Cb 1.31 1.34 -0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1yuu h THR 43 CO 0.08 0.21 -0.16 -0.61 0.37 0.00 0.00 175.52 175.41 1yuu h GLN 44 N -0.89 0.00 0.01 6.66 4.15 -0.57 -3.43 115.11 121.04 1yuu h GLN 44 Ca -0.02 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.30 1yuu h GLN 44 Cb 0.51 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 1yuu h GLN 44 CO 0.04 0.12 -0.50 1.96 -1.93 0.00 0.00 178.83 178.52 1yuu h GLN 45 N -1.00 0.02 -6.19 1.69 1.08 -0.93 -3.43 115.11 106.34 1yuu h GLN 45 Ca -0.01 -0.03 -0.56 0.00 -1.45 0.00 0.00 58.65 56.60 1yuu h GLN 45 Cb 0.25 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.65 1yuu h GLN 45 CO -0.01 1.01 0.83 -0.51 -0.95 0.00 0.00 178.83 179.21 1yuu s LEU 46 N -8.07 4.20 -0.01 1.46 2.01 -0.65 -4.94 118.68 112.69 1yuu s LEU 46 Ca -0.22 1.70 -0.07 0.00 0.01 0.00 0.00 54.13 55.56 1yuu s LEU 46 Cb 0.00 -3.54 -0.29 0.00 0.01 0.00 0.00 46.19 42.37 1yuu s LEU 46 CO 0.66 -0.70 0.81 1.55 1.01 0.00 0.00 176.35 179.68 1yuu h PRO 47 N 7.93 0.32 0.00 1.29 0.13 -1.84 -3.41 132.00 136.42 1yuu h PRO 47 Ca -0.28 -0.55 0.00 0.00 -0.87 0.00 0.00 66.00 64.30 1yuu h PRO 47 Cb 1.12 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1yuu h PRO 47 CO 0.94 1.21 0.00 1.58 -0.23 0.00 0.00 178.00 181.50 1yuu n HIS 48 N -3.52 -1.16 0.00 1.56 -0.00 -1.26 -5.03 115.22 105.81 1yuu n HIS 48 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.53 1yuu n HIS 48 Cb 1.06 0.40 0.00 0.00 -0.00 0.00 0.00 29.99 31.45 1yuu n HIS 48 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1yuu n LEU 49 N -2.29 0.00 -3.67 0.27 7.94 -1.26 -1.62 117.00 116.37 1yuu n LEU 49 Ca 0.00 0.02 -0.42 0.00 -1.11 0.00 0.00 56.01 54.51 1yuu n LEU 49 Cb 0.00 -0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.93 1yuu n LEU 49 CO 0.00 -0.00 2.61 0.18 -1.11 0.00 0.00 177.39 179.07 1yuu n LEU 50 N -0.78 6.38 0.00 -1.96 4.77 -1.26 -4.73 117.00 119.41 1yuu n LEU 50 Ca 0.00 -3.87 0.00 0.00 -0.03 0.00 0.00 56.01 52.11 1yuu n LEU 50 Cb 0.00 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.56 1yuu n LEU 50 CO 0.00 0.86 0.46 2.29 -1.33 0.00 0.00 177.39 179.66 1yuu n LYS 51 N 6.08 0.00 0.00 3.23 -0.00 -0.64 -1.06 118.16 125.76 1yuu n LYS 51 Ca 0.53 0.29 0.08 0.00 -0.00 0.00 0.00 58.31 59.21 1yuu n LYS 51 Cb 0.38 -1.64 0.37 0.00 -0.00 0.00 0.00 35.03 34.14 1yuu n LYS 51 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1yuu n ASP 52 N -1.27 0.00 -0.42 -5.58 9.92 -1.26 -4.10 116.55 113.83 1yuu n ASP 52 Ca 0.00 0.38 0.38 0.00 -0.53 0.00 0.00 54.79 55.02 1yuu n ASP 52 Cb 0.14 -0.45 0.65 0.00 -0.64 0.00 0.00 41.12 40.83 1yuu n ASP 52 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1yuu n VAL 53 N -1.45 -0.30 -0.34 2.53 0.24 -0.23 -0.30 118.33 118.48 1yuu n VAL 53 Ca 0.05 1.86 0.22 0.00 -2.04 0.00 0.00 64.34 64.43 1yuu n VAL 53 Cb 0.18 -3.04 0.45 0.00 -1.47 0.00 0.00 33.84 29.96 1yuu n VAL 53 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1yuu h GLY 54 N 0.00 1.93 -4.08 7.63 0.00 -1.87 0.68 103.07 107.36 1yuu h GLY 54 Ca 0.87 -0.26 -0.56 0.00 0.00 0.00 0.00 47.33 47.37 1yuu h GLY 54 CO -0.55 -0.36 -0.79 -1.26 0.00 0.00 0.00 176.54 173.57 1yuu n SER 55 N -4.94 4.78 -0.31 0.19 2.88 0.58 -4.85 113.62 111.95 1yuu n SER 55 Ca 0.30 -3.71 0.14 0.00 -1.33 0.00 0.00 58.87 54.27 1yuu n SER 55 Cb 0.89 -0.39 0.30 0.00 -0.75 0.00 0.00 64.21 64.27 1yuu n SER 55 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1yuu h LEU 56 N 2.35 -0.15 -2.37 2.46 7.12 -0.63 -0.71 115.31 123.37 1yuu h LEU 56 Ca 0.33 0.23 0.01 0.00 0.13 0.00 0.00 57.88 58.58 1yuu h LEU 56 Cb 1.30 0.34 -0.00 0.00 -0.53 0.00 0.00 40.66 41.76 1yuu h LEU 56 CO 0.79 -0.24 0.02 0.44 -0.13 0.00 0.00 178.44 179.32 1yuu h ASP 57 N 0.12 0.00 -0.11 1.25 5.19 -1.89 0.29 116.42 121.27 1yuu h ASP 57 Ca 0.58 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.85 1yuu h ASP 57 Cb 1.21 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.73 1yuu h ASP 57 CO -0.75 0.00 -0.46 1.05 -3.12 0.00 0.00 179.24 175.96 1yuu h GLU 58 N 0.00 0.52 -0.86 3.56 4.11 -1.52 -3.05 114.58 117.33 1yuu h GLU 58 Ca 0.01 -0.40 0.06 0.00 0.07 0.00 0.00 59.36 59.10 1yuu h GLU 58 Cb 0.05 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 1yuu h GLU 58 CO -0.00 1.03 0.53 -0.22 0.07 0.00 0.00 179.01 180.42 1yuu h LYS 59 N 0.12 0.94 -0.38 1.06 1.63 -0.55 -1.23 116.57 118.16 1yuu h LYS 59 Ca -0.03 -0.06 0.08 0.00 -0.85 0.00 0.00 60.65 59.80 1yuu h LYS 59 Cb 1.10 -0.21 -0.07 0.00 -0.60 0.00 0.00 32.23 32.44 1yuu h LYS 59 CO 0.10 0.62 -0.11 1.98 -3.45 0.00 0.00 179.45 178.59 1yuu h MET 60 N 0.97 -0.02 -0.69 1.90 4.05 -0.75 0.29 114.93 120.68 1yuu h MET 60 Ca 0.38 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.81 1yuu h MET 60 Cb 0.18 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.95 1yuu h MET 60 CO -0.18 -0.02 0.45 0.87 0.23 0.00 0.00 176.91 178.27 1yuu h LYS 61 N -0.02 0.90 -1.00 0.39 6.56 -1.15 0.16 116.57 122.40 1yuu h LYS 61 Ca 0.18 -0.05 0.03 0.00 -1.06 0.00 0.00 60.65 59.75 1yuu h LYS 61 Cb 0.30 -0.20 -0.06 0.00 -0.57 0.00 0.00 32.23 31.70 1yuu h LYS 61 CO -0.40 0.59 0.66 1.03 -2.06 0.00 0.00 179.45 179.27 1yuu h SER 62 N 0.92 1.11 0.48 0.86 0.87 -0.39 -3.14 113.55 114.26 1yuu h SER 62 Ca 0.25 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 1yuu h SER 62 Cb -0.09 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.61 1yuu h SER 62 CO -0.06 0.77 -0.23 0.25 -0.53 0.00 0.00 176.83 177.03 1yuu h LEU 63 N 1.29 -0.54 -6.96 2.23 5.85 0.74 -3.34 115.31 114.57 1yuu h LEU 63 Ca 0.39 -0.08 -0.68 0.00 0.84 0.00 0.00 57.88 58.36 1yuu h LEU 63 Cb -0.03 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 1yuu h LEU 63 CO -0.12 -0.20 2.58 -0.67 -0.34 0.00 0.00 178.44 179.70 1yuu n ASP 64 N -5.26 4.26 0.09 1.25 2.03 0.45 -4.75 116.55 114.61 1yuu n ASP 64 Ca -0.11 -2.86 0.20 0.00 0.52 0.00 0.00 54.79 52.54 1yuu n ASP 64 Cb 0.31 -1.68 0.74 0.00 -0.72 0.00 0.00 41.12 39.76 1yuu n ASP 64 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1yuu h VAL 65 N 4.83 0.35 0.00 5.18 -1.51 -1.71 0.41 116.25 123.80 1yuu h VAL 65 Ca 0.49 0.00 -0.18 0.00 -1.23 0.00 0.00 66.70 65.78 1yuu h VAL 65 Cb 0.76 0.62 -0.03 0.00 -2.13 0.00 0.00 31.29 30.52 1yuu h VAL 65 CO 1.67 0.00 -0.88 0.78 -1.23 0.00 0.00 177.57 177.91 1yuu h ASN 66 N 0.00 0.00 -5.92 4.19 4.21 -1.91 -3.48 115.58 112.67 1yuu h ASN 66 Ca 0.20 0.00 -0.37 0.00 1.21 0.00 0.00 56.30 57.34 1yuu h ASN 66 Cb 1.13 0.00 0.11 0.00 -1.12 0.00 0.00 38.32 38.45 1yuu h ASN 66 CO -0.00 0.88 -0.86 0.00 -1.29 0.00 0.00 177.43 176.16 1yuu n GLN 67 N -3.37 -3.43 0.00 0.81 6.02 0.13 -4.96 117.38 112.58 1yuu n GLN 67 Ca 0.00 0.66 0.05 0.00 -0.01 0.00 0.00 57.00 57.70 1yuu n GLN 67 Cb 0.87 -5.14 -0.04 0.00 1.02 0.00 0.00 30.24 26.96 1yuu n GLN 67 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1yuu n ASP 68 N -3.01 0.74 -0.85 1.08 5.68 -1.26 -5.01 116.55 113.93 1yuu n ASP 68 Ca -0.19 -0.87 -0.11 0.00 -0.50 0.00 0.00 54.79 53.12 1yuu n ASP 68 Cb 0.64 0.83 -0.05 0.00 -1.14 0.00 0.00 41.12 41.40 1yuu n ASP 68 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1yuu n SER 69 N -0.91 -4.68 -4.03 -1.12 7.64 -1.26 -5.00 113.62 104.26 1yuu n SER 69 Ca 0.03 0.27 -0.31 0.00 1.01 0.00 0.00 58.87 59.88 1yuu n SER 69 Cb 0.18 -3.16 -0.16 0.00 -1.01 0.00 0.00 64.21 60.07 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 -2.81 2.36 -0.69 1.43 2.02 -1.26 -4.57 118.70 115.19 1yuu s GLU 70 Ca 0.00 -0.69 -0.25 0.00 0.02 0.00 0.00 54.97 54.05 1yuu s GLU 70 Cb 0.00 -2.28 0.04 0.00 0.10 0.00 0.00 34.13 32.00 1yuu s GLU 70 CO 0.00 -0.28 1.14 -0.51 0.02 0.00 0.00 175.26 175.63 1yuu s LEU 71 N 1.42 3.67 1.02 1.80 2.01 0.33 -4.90 118.68 124.03 1yuu s LEU 71 Ca 0.03 -0.58 -0.11 0.00 0.01 0.00 0.00 54.13 53.48 1yuu s LEU 71 Cb -0.14 -2.58 0.20 0.00 0.01 0.00 0.00 46.19 43.68 1yuu s LEU 71 CO -0.10 -1.63 1.08 -0.54 1.01 0.00 0.00 176.35 176.17 1yuu s LYS 72 N 4.97 0.25 0.17 1.70 3.01 -1.26 -1.22 119.74 127.36 1yuu s LYS 72 Ca 0.31 1.09 -0.28 0.00 -1.01 0.00 0.00 55.97 56.08 1yuu s LYS 72 Cb -0.11 -1.67 -0.01 0.00 -1.01 0.00 0.00 37.83 35.02 1yuu s LYS 72 CO 0.15 -3.01 1.50 1.19 0.51 0.00 0.00 175.35 175.69 1yuu n PHE 73 N -4.45 -0.35 0.12 3.18 3.72 -1.26 -0.53 117.46 117.90 1yuu n PHE 73 Ca 0.07 1.22 -0.02 0.00 -0.05 0.00 0.00 57.45 58.67 1yuu n PHE 73 Cb 0.54 -0.63 0.21 0.00 -0.94 0.00 0.00 39.48 38.66 1yuu n PHE 73 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1yuu h ASN 74 N 0.00 0.13 0.38 4.37 -1.24 -1.97 0.17 115.58 117.42 1yuu h ASN 74 Ca 0.19 -0.07 -0.02 0.00 0.71 0.00 0.00 56.30 57.11 1yuu h ASN 74 Cb 0.43 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.45 1yuu h ASN 74 CO -0.93 0.62 -0.18 -0.33 -1.29 0.00 0.00 177.43 175.33 1yuu h GLU 75 N 0.10 -0.49 -0.84 6.67 5.08 -1.59 -3.21 114.58 120.30 1yuu h GLU 75 Ca 0.00 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.49 1yuu h GLU 75 Cb 0.94 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 30.23 1yuu h GLU 75 CO 0.07 -0.18 0.48 -0.92 -1.00 0.00 0.00 179.01 177.47 1yuu h TYR 76 N -0.96 0.87 -1.13 4.33 3.20 -0.63 0.13 116.97 122.77 1yuu h TYR 76 Ca -0.05 0.03 0.33 0.00 3.14 0.00 0.00 58.73 62.18 1yuu h TYR 76 Cb 0.54 -0.27 -0.11 0.00 1.54 0.00 0.00 36.73 38.43 1yuu h TYR 76 CO 0.03 0.35 0.72 2.35 -1.64 0.00 0.00 178.16 179.97 1yuu h TRP 77 N 0.80 0.63 -0.92 -3.82 7.01 -0.72 0.20 115.95 119.13 1yuu h TRP 77 Ca 0.41 0.02 0.26 0.00 2.11 0.00 0.00 58.89 61.69 1yuu h TRP 77 Cb 0.38 -0.17 -0.14 0.00 -2.10 0.00 0.00 29.16 27.13 1yuu h TRP 77 CO -0.06 -0.06 0.36 0.00 -2.79 0.00 0.00 178.44 175.89 1yuu h ARG 78 N 0.28 0.27 -0.59 2.65 3.08 -0.96 0.12 114.38 119.22 1yuu h ARG 78 Ca 0.69 -0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.84 1yuu h ARG 78 Cb 1.90 -0.06 -0.11 0.00 0.08 0.00 0.00 29.97 31.77 1yuu h ARG 78 CO -0.37 0.18 -0.15 1.25 -1.07 0.00 0.00 179.97 179.81 1yuu h LEU 79 N 0.28 -0.57 -1.63 3.04 5.85 -0.76 0.16 115.31 121.68 1yuu h LEU 79 Ca 0.60 0.18 -0.04 0.00 0.84 0.00 0.00 57.88 59.46 1yuu h LEU 79 Cb 1.26 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 42.65 1yuu h LEU 79 CO -0.62 -0.20 -0.21 0.40 -0.34 0.00 0.00 178.44 177.47 1yuu h ILE 80 N -0.00 0.93 0.08 4.05 1.08 -0.90 0.28 117.51 123.03 1yuu h ILE 80 Ca 0.28 -0.76 -0.00 0.00 -0.39 0.00 0.00 64.86 63.99 1yuu h ILE 80 Cb 0.44 1.44 0.00 0.00 -3.07 0.00 0.00 36.82 35.63 1yuu h ILE 80 CO -0.61 0.20 -0.04 1.23 -0.69 0.00 0.00 178.15 178.24 1yuu h GLY 81 N 0.84 -0.12 1.82 5.37 0.00 -0.51 -0.30 103.07 110.18 1yuu h GLY 81 Ca -0.00 0.04 -0.20 0.00 0.00 0.00 0.00 47.33 47.17 1yuu h GLY 81 CO 0.03 -0.04 -0.92 0.83 0.00 0.00 0.00 176.54 176.43 1yuu h GLU 82 N -0.17 0.15 0.06 4.80 4.39 0.70 0.36 114.58 124.87 1yuu h GLU 82 Ca -0.01 -0.19 0.02 0.00 0.34 0.00 0.00 59.36 59.52 1yuu h GLU 82 Cb 0.14 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.80 1yuu h GLU 82 CO 0.02 0.97 -0.45 -0.07 -1.16 0.00 0.00 179.01 178.32 1yuu h LEU 83 N 0.08 -1.34 -2.04 1.33 4.07 -0.51 0.30 115.31 117.20 1yuu h LEU 83 Ca -0.04 0.15 0.02 0.00 0.08 0.00 0.00 57.88 58.08 1yuu h LEU 83 Cb 1.57 0.51 -0.00 0.00 1.08 0.00 0.00 40.66 43.82 1yuu h LEU 83 CO 0.14 -0.49 0.04 0.00 -1.08 0.00 0.00 178.44 177.04 1yuu h ALA 84 N -0.19 2.01 0.45 1.53 0.00 -0.24 -1.22 119.26 121.60 1yuu h ALA 84 Ca 0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1yuu h ALA 84 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1yuu h ALA 84 CO -0.29 -0.07 -0.22 -0.22 0.00 0.00 0.00 179.25 178.46 1yuu h LYS 85 N 0.00 -0.58 -0.69 0.00 1.63 -0.04 -3.37 116.57 113.51 1yuu h LYS 85 Ca 0.02 0.04 0.15 0.00 -0.85 0.00 0.00 60.65 60.01 1yuu h LYS 85 Cb 0.10 0.13 -0.12 0.00 -0.60 0.00 0.00 32.23 31.74 1yuu h LYS 85 CO -0.00 -0.39 -0.06 0.93 -3.45 0.00 0.00 179.45 176.48 1yuu h GLU 86 N -1.15 0.07 -0.92 1.90 4.39 0.71 0.69 114.58 120.26 1yuu h GLU 86 Ca -0.06 -0.00 0.23 0.00 0.34 0.00 0.00 59.36 59.87 1yuu h GLU 86 Cb 0.46 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.04 1yuu h GLU 86 CO 0.10 0.04 0.62 0.97 -1.16 0.00 0.00 179.01 179.59 1yuu h ILE 87 N 0.07 0.61 0.02 3.13 2.10 -1.50 0.20 117.51 122.15 1yuu h ILE 87 Ca 0.36 -0.09 -0.36 0.00 1.08 0.00 0.00 64.86 65.84 1yuu h ILE 87 Cb 0.60 0.32 -0.05 0.00 -1.09 0.00 0.00 36.82 36.59 1yuu h ILE 87 CO -0.64 0.05 -2.04 -1.14 -1.08 0.00 0.00 178.15 173.30 1yuu n ARG 88 N -4.45 0.62 -0.07 2.19 0.00 0.20 -4.68 116.66 110.48 1yuu n ARG 88 Ca 0.20 0.34 -0.16 0.00 -0.00 0.00 0.00 57.85 58.23 1yuu n ARG 88 Cb 0.81 -1.62 -0.13 0.00 0.00 0.00 0.00 32.46 31.53 1yuu n ARG 88 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1yuu h LYS 89 N -0.63 0.03 0.00 -0.14 3.64 -0.20 -3.38 116.57 115.89 1yuu h LYS 89 Ca -0.52 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 58.79 1yuu h LYS 89 Cb 1.65 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.48 1yuu h LYS 89 CO -0.21 1.02 -0.12 -0.22 -2.27 0.00 0.00 179.45 177.65 1yuu h LYS 90 N -0.94 0.00 -0.16 1.90 1.63 -0.78 -1.47 116.57 116.74 1yuu h LYS 90 Ca -0.08 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.61 1yuu h LYS 90 Cb 1.12 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.67 1yuu h LYS 90 CO -0.03 0.12 -0.48 1.63 -3.45 0.00 0.00 179.45 177.25 1yuu n LYS 91 N -3.59 1.92 0.04 1.90 5.02 -1.26 -4.99 118.16 117.21 1yuu n LYS 91 Ca -0.02 -3.42 -0.11 0.00 -2.02 0.00 0.00 58.31 52.75 1yuu n LYS 91 Cb 0.25 -1.75 -0.04 0.00 -0.02 0.00 0.00 35.03 33.47 1yuu n LYS 91 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1yuu h ASP 92 N 1.18 -0.73 -0.49 4.39 3.58 -1.44 -3.36 116.42 119.56 1yuu h ASP 92 Ca 0.09 0.11 0.08 0.00 0.42 0.00 0.00 57.03 57.73 1yuu h ASP 92 Cb 1.16 0.31 -0.08 0.00 1.72 0.00 0.00 39.33 42.44 1yuu h ASP 92 CO 0.18 -0.31 -0.16 -0.11 -2.88 0.00 0.00 179.24 175.96 1yuu n LEU 93 N -5.36 -0.26 -4.68 2.28 7.94 -1.26 -4.68 117.00 110.97 1yuu n LEU 93 Ca -0.04 0.84 -0.48 0.00 -1.11 0.00 0.00 56.01 55.22 1yuu n LEU 93 Cb 0.28 -0.22 -0.05 0.00 0.53 0.00 0.00 43.42 43.96 1yuu n LEU 93 CO 0.21 -0.78 1.46 0.29 -1.11 0.00 0.00 177.39 177.46 1yuu n LYS 94 N -4.75 2.18 -0.95 1.96 4.01 -1.26 -4.96 118.16 114.39 1yuu n LYS 94 Ca 0.06 0.80 -0.29 0.00 -0.51 0.00 0.00 58.31 58.37 1yuu n LYS 94 Cb 0.21 -2.64 0.21 0.00 -0.51 0.00 0.00 35.03 32.31 1yuu n LYS 94 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 1yuu s ILE 95 N 3.71 1.92 0.00 -0.18 -4.36 -1.26 -4.51 121.20 116.52 1yuu s ILE 95 Ca 0.91 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 61.30 1yuu s ILE 95 Cb -0.69 -2.36 0.00 0.00 1.25 0.00 0.00 42.46 40.66 1yuu s ILE 95 CO 0.50 0.00 0.00 0.54 0.24 0.00 0.00 174.94 176.22 1yuu n ARG 96 N -4.54 0.00 0.00 0.37 5.12 -1.26 -5.00 116.66 111.34 1yuu n ARG 96 Ca 0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 1yuu n ARG 96 Cb 0.57 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.87 1yuu n ARG 96 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1yuu n LYS 97 N 13.31 0.00 0.00 5.56 5.02 -1.26 -5.16 118.16 135.63 1yuu n LYS 97 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1yuu n LYS 97 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1yuu n LYS 97 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51