#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 1.50 0.00 3.04 0.00 -1.26 -4.90 121.76 120.14 1yuu s ALA 2 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1yuu s ALA 2 Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.10 1yuu s ALA 2 CO 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 175.76 173.21 1yuu n ALA 3 N -3.96 0.00 -2.66 0.00 0.00 -1.26 -5.07 120.51 107.56 1yuu n ALA 3 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.10 1yuu n ALA 3 Cb 0.59 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.99 1yuu n ALA 3 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1yuu s GLU 4 N -0.34 4.26 -0.51 0.00 8.01 -1.26 -4.97 118.70 123.89 1yuu s GLU 4 Ca 0.00 0.89 -0.28 0.00 0.01 0.00 0.00 54.97 55.60 1yuu s GLU 4 Cb 0.00 -3.58 -0.01 0.00 -4.31 0.00 0.00 34.13 26.23 1yuu s GLU 4 CO 0.00 -0.33 1.69 -1.25 0.01 0.00 0.00 175.26 175.38 1yuu s PRO 5 N 2.18 3.08 0.70 0.39 0.04 -1.26 -4.98 135.00 135.14 1yuu s PRO 5 Ca 0.35 0.81 -0.16 0.00 0.04 0.00 0.00 61.00 62.04 1yuu s PRO 5 Cb -0.16 -4.24 0.02 0.00 0.04 0.00 0.00 34.50 30.16 1yuu s PRO 5 CO 0.11 -2.19 1.21 1.28 0.04 0.00 0.00 177.00 177.46 1yuu n LEU 6 N 10.91 5.17 -4.66 -3.56 4.77 -1.26 -5.00 117.00 123.36 1yuu n LEU 6 Ca 0.18 0.74 -0.29 0.00 -0.03 0.00 0.00 56.01 56.61 1yuu n LEU 6 Cb 0.50 -1.52 0.19 0.00 -2.33 0.00 0.00 43.42 40.26 1yuu n LEU 6 CO 0.70 -1.37 0.64 0.28 -1.33 0.00 0.00 177.39 176.32 1yuu s THR 7 N -1.66 1.91 0.04 -5.08 -1.32 -1.26 -4.66 115.64 103.61 1yuu s THR 7 Ca 0.79 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.99 1yuu s THR 7 Cb -0.35 -2.51 -0.17 0.00 -1.51 0.00 0.00 72.50 67.96 1yuu s THR 7 CO 0.45 0.00 1.40 -0.33 -2.21 0.00 0.00 174.62 173.93 1yuu h GLU 8 N -2.06 -0.60 -0.89 7.08 5.08 -1.99 0.21 114.58 121.42 1yuu h GLU 8 Ca -0.53 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 57.94 1yuu h GLU 8 Cb 1.33 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.65 1yuu h GLU 8 CO 0.53 -0.32 0.56 -0.07 -1.00 0.00 0.00 179.01 178.71 1yuu h LEU 9 N -0.81 0.88 -0.02 1.33 4.07 -1.99 0.68 115.31 119.46 1yuu h LEU 9 Ca -0.06 0.02 0.02 0.00 0.08 0.00 0.00 57.88 57.93 1yuu h LEU 9 Cb 0.56 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.11 1yuu h LEU 9 CO 0.10 0.56 -0.08 -0.08 -1.08 0.00 0.00 178.44 177.86 1yuu h GLU 10 N 1.02 -0.13 0.24 1.13 4.81 -1.88 0.11 114.58 119.88 1yuu h GLU 10 Ca 0.39 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.62 1yuu h GLU 10 Cb 0.18 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 1yuu h GLU 10 CO -0.17 -0.09 -0.15 1.05 -0.73 0.00 0.00 179.01 178.92 1yuu h GLU 11 N -0.14 -0.36 -0.29 1.92 -0.00 0.25 -0.27 114.58 115.69 1yuu h GLU 11 Ca 0.04 0.02 -0.00 0.00 -0.00 0.00 0.00 59.36 59.42 1yuu h GLU 11 Cb 0.19 0.08 -0.01 0.00 -0.00 0.00 0.00 28.75 29.01 1yuu h GLU 11 CO -0.10 -0.24 0.17 0.77 -0.00 0.00 0.00 179.01 179.61 1yuu h SER 12 N -0.38 0.35 -0.62 3.06 0.02 -0.73 0.10 113.55 115.36 1yuu h SER 12 Ca -0.02 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.81 1yuu h SER 12 Cb 0.31 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 1yuu h SER 12 CO 0.02 0.31 0.19 0.16 -1.14 0.00 0.00 176.83 176.37 1yuu h ILE 13 N 0.36 1.25 -0.10 3.27 -0.00 -0.73 -2.35 117.51 119.21 1yuu h ILE 13 Ca 0.10 -0.85 0.01 0.00 -0.00 0.00 0.00 64.86 64.12 1yuu h ILE 13 Cb 0.03 0.62 -0.01 0.00 -0.00 0.00 0.00 36.82 37.46 1yuu h ILE 13 CO -0.02 0.32 0.04 -0.08 -0.00 0.00 0.00 178.15 178.42 1yuu h GLU 14 N 0.89 0.10 -0.97 0.16 4.81 -0.45 1.00 114.58 120.12 1yuu h GLU 14 Ca 0.20 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.51 1yuu h GLU 14 Cb 0.30 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.59 1yuu h GLU 14 CO -0.01 0.06 0.61 0.00 -0.73 0.00 0.00 179.01 178.95 1yuu h THR 15 N 0.10 1.01 -0.02 0.32 1.03 -0.58 0.12 112.91 114.89 1yuu h THR 15 Ca 0.04 -0.36 -0.22 0.00 -0.01 0.00 0.00 66.41 65.86 1yuu h THR 15 Cb 0.01 -0.13 0.00 0.00 -1.07 0.00 0.00 68.15 66.96 1yuu h THR 15 CO -0.03 0.19 -0.92 -0.37 -0.01 0.00 0.00 175.52 174.38 1yuu h VAL 16 N 1.05 1.38 -0.39 0.00 -1.51 -1.21 -1.95 116.25 113.62 1yuu h VAL 16 Ca 0.44 -2.36 0.02 0.00 -1.23 0.00 0.00 66.70 63.57 1yuu h VAL 16 Cb 0.29 2.35 -0.03 0.00 -2.13 0.00 0.00 31.29 31.77 1yuu h VAL 16 CO -0.21 0.71 0.22 0.58 -1.23 0.00 0.00 177.57 177.63 1yuu h VAL 17 N 0.27 1.01 -0.47 7.19 2.07 0.81 0.96 116.25 128.09 1yuu h VAL 17 Ca -0.08 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1yuu h VAL 17 Cb 1.54 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 1yuu h VAL 17 CO 0.16 0.08 0.18 0.00 0.02 0.00 0.00 177.57 178.01 1yuu h THR 18 N 0.44 1.21 -0.39 2.57 1.03 -0.85 0.15 112.91 117.07 1yuu h THR 18 Ca 0.16 -0.67 0.06 0.00 -0.01 0.00 0.00 66.41 65.96 1yuu h THR 18 Cb 0.04 0.77 -0.06 0.00 -1.07 0.00 0.00 68.15 67.84 1yuu h THR 18 CO -0.09 0.25 0.05 0.74 -0.01 0.00 0.00 175.52 176.46 1yuu h THR 19 N 0.62 0.77 0.45 0.00 2.02 -0.86 0.05 112.91 115.96 1yuu h THR 19 Ca 0.16 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 1yuu h THR 19 Cb 0.21 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1yuu h THR 19 CO -0.01 0.03 -0.45 0.15 0.37 0.00 0.00 175.52 175.61 1yuu h PHE 20 N 0.17 -1.26 -0.12 3.16 3.57 -0.59 -2.99 116.94 118.88 1yuu h PHE 20 Ca 0.19 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 1yuu h PHE 20 Cb 0.24 0.49 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1yuu h PHE 20 CO -0.22 -0.60 0.07 0.35 -2.23 0.00 0.00 178.31 175.68 1yuu h PHE 21 N -0.90 0.16 0.00 0.41 3.57 0.04 0.29 116.94 120.51 1yuu h PHE 21 Ca -0.06 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1yuu h PHE 21 Cb 0.78 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.47 1yuu h PHE 21 CO -0.24 0.14 -0.07 0.00 -2.23 0.00 0.00 178.31 175.91 1yuu h THR 22 N 0.12 0.59 0.00 4.41 1.03 -1.12 -2.79 112.91 115.15 1yuu h THR 22 Ca 0.04 -0.31 -0.01 0.00 -0.01 0.00 0.00 66.41 66.13 1yuu h THR 22 Cb 0.03 1.19 -0.00 0.00 -1.07 0.00 0.00 68.15 68.30 1yuu h THR 22 CO -0.01 0.07 -0.16 0.15 -0.01 0.00 0.00 175.52 175.57 1yuu h PHE 23 N 0.00 0.00 -0.64 0.00 3.57 -0.83 -3.39 116.94 115.66 1yuu h PHE 23 Ca -0.00 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.68 1yuu h PHE 23 Cb 0.19 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 1yuu h PHE 23 CO 0.00 0.12 0.88 0.00 -2.23 0.00 0.00 178.31 177.08 1yuu h ALA 24 N -0.91 2.46 -0.09 2.41 0.00 -0.46 0.28 119.26 122.94 1yuu h ALA 24 Ca -0.01 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1yuu h ALA 24 Cb 0.23 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1yuu h ALA 24 CO -0.01 -1.21 0.14 0.07 0.00 0.00 0.00 179.25 178.25 1yuu h ARG 25 N 0.00 0.00 -0.30 0.00 -0.00 -1.68 -3.35 114.38 109.05 1yuu h ARG 25 Ca 0.30 0.00 0.03 0.00 -0.00 0.00 0.00 59.98 60.31 1yuu h ARG 25 Cb 2.07 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 32.00 1yuu h ARG 25 CO -0.00 0.00 -0.18 0.94 -0.00 0.00 0.00 179.97 180.73 1yuu n GLN 26 N -3.54 -0.13 -1.27 0.08 -0.06 0.97 -0.53 117.38 112.90 1yuu n GLN 26 Ca -0.01 1.08 -0.29 0.00 -2.00 0.00 0.00 57.00 55.78 1yuu n GLN 26 Cb 0.24 -1.60 0.14 0.00 -4.06 0.00 0.00 30.24 24.95 1yuu n GLN 26 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1yuu n GLU 27 N -3.65 2.44 0.00 3.69 1.02 -1.26 -5.02 120.64 117.85 1yuu n GLU 27 Ca 0.01 -3.13 0.00 0.00 -0.02 0.00 0.00 57.16 54.02 1yuu n GLU 27 Cb 0.08 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.27 1yuu n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yuu n GLY 28 N -1.05 -0.91 3.23 0.62 0.00 0.31 -4.99 105.19 102.40 1yuu n GLY 28 Ca 0.61 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.21 -1.65 -0.04 1.61 3.00 -1.26 -4.59 116.66 112.53 1yuu n ARG 29 Ca 0.00 1.45 0.01 0.00 -0.01 0.00 0.00 57.85 59.30 1yuu n ARG 29 Cb 0.00 -4.60 0.33 0.00 0.00 0.00 0.00 32.46 28.19 1yuu n ARG 29 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 1yuu h LYS 30 N 0.76 0.62 -0.46 5.56 2.10 -1.87 -0.55 116.57 122.72 1yuu h LYS 30 Ca -0.20 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 1yuu h LYS 30 Cb 1.13 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 1yuu h LYS 30 CO 0.29 0.50 0.00 -0.25 -2.00 0.00 0.00 179.45 177.99 1yuu n ASP 31 N -4.38 1.26 -4.23 7.07 9.92 -1.26 -4.29 116.55 120.64 1yuu n ASP 31 Ca 0.03 -2.08 -0.24 0.00 -0.53 0.00 0.00 54.79 51.97 1yuu n ASP 31 Cb 0.14 -0.28 -0.14 0.00 -0.64 0.00 0.00 41.12 40.20 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 -0.65 2.32 -0.24 -2.24 1.04 -0.22 -0.39 113.70 113.33 1yuu s SER 32 Ca 0.10 -0.52 -0.09 0.00 0.48 0.00 0.00 55.95 55.92 1yuu s SER 32 Cb 0.06 -0.18 -0.04 0.00 0.10 0.00 0.00 66.02 65.96 1yuu s SER 32 CO 0.05 0.13 0.12 -0.76 0.98 0.00 0.00 173.24 173.76 1yuu s LEU 33 N -1.23 3.81 0.89 2.42 1.43 -0.04 -4.68 118.68 121.29 1yuu s LEU 33 Ca 0.06 -0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.02 1yuu s LEU 33 Cb -0.09 -2.02 0.18 0.00 0.03 0.00 0.00 46.19 44.29 1yuu s LEU 33 CO 0.02 0.03 1.23 -0.55 0.23 0.00 0.00 176.35 177.31 1yuu s SER 34 N 1.24 3.49 0.13 2.29 0.15 -1.26 -0.35 113.70 119.40 1yuu s SER 34 Ca 0.06 0.10 -0.32 0.00 0.70 0.00 0.00 55.95 56.49 1yuu s SER 34 Cb -0.14 -0.25 -0.09 0.00 -1.71 0.00 0.00 66.02 63.83 1yuu s SER 34 CO 0.05 -2.47 1.55 0.58 1.20 0.00 0.00 173.24 174.15 1yuu h VAL 35 N -1.32 0.02 0.76 4.45 2.07 -2.00 0.24 116.25 120.48 1yuu h VAL 35 Ca -0.42 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 1yuu h VAL 35 Cb 1.25 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1yuu h VAL 35 CO 0.39 0.00 -0.46 -1.13 0.02 0.00 0.00 177.57 176.39 1yuu h ASN 36 N -0.41 -1.16 -0.96 0.57 -1.24 -1.96 0.15 115.58 110.58 1yuu h ASN 36 Ca 0.08 0.06 0.24 0.00 0.71 0.00 0.00 56.30 57.39 1yuu h ASN 36 Cb 0.61 0.33 -0.18 0.00 0.73 0.00 0.00 38.32 39.81 1yuu h ASN 36 CO -0.57 -0.71 -0.08 -0.62 -1.29 0.00 0.00 177.43 174.15 1yuu n GLU 37 N -5.60 -0.08 0.39 6.67 1.02 -1.11 -0.61 120.64 121.32 1yuu n GLU 37 Ca -0.14 1.46 -0.19 0.00 -0.02 0.00 0.00 57.16 58.27 1yuu n GLU 37 Cb 0.48 -2.26 -0.09 0.00 -0.02 0.00 0.00 31.44 29.54 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 -1.06 -0.82 -0.32 3.04 0.16 -2.97 116.94 114.97 1yuu h PHE 38 Ca 0.53 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.46 1yuu h PHE 38 Cb 1.00 0.37 -0.04 0.00 2.56 0.00 0.00 35.95 39.84 1yuu h PHE 38 CO -0.59 -0.62 0.48 -0.22 -2.02 0.00 0.00 178.31 175.34 1yuu h LYS 39 N -1.04 1.12 -0.91 1.11 3.64 0.11 0.68 116.57 121.27 1yuu h LYS 39 Ca -0.09 -0.11 0.21 0.00 -1.27 0.00 0.00 60.65 59.38 1yuu h LYS 39 Cb 0.83 -0.23 -0.07 0.00 -0.41 0.00 0.00 32.23 32.35 1yuu h LYS 39 CO 0.12 0.79 0.60 0.93 -2.27 0.00 0.00 179.45 179.63 1yuu h GLU 40 N 1.13 0.40 -0.30 1.90 5.08 -0.82 -1.18 114.58 120.80 1yuu h GLU 40 Ca 0.29 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.53 1yuu h GLU 40 Cb -0.02 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1yuu h GLU 40 CO -0.05 0.26 -0.19 1.25 -1.00 0.00 0.00 179.01 179.28 1yuu h LEU 41 N 0.41 0.69 -0.46 1.33 7.12 -0.70 0.21 115.31 123.91 1yuu h LEU 41 Ca 0.48 -0.43 -0.06 0.00 0.13 0.00 0.00 57.88 58.00 1yuu h LEU 41 Cb 1.18 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 41.11 1yuu h LEU 41 CO -0.18 0.97 0.05 -0.37 -0.13 0.00 0.00 178.44 178.77 1yuu h VAL 42 N 0.41 1.25 -0.17 1.05 -1.51 -1.12 -0.23 116.25 115.92 1yuu h VAL 42 Ca 0.06 -0.96 0.03 0.00 -1.23 0.00 0.00 66.70 64.59 1yuu h VAL 42 Cb 0.73 0.98 -0.02 0.00 -2.13 0.00 0.00 31.29 30.84 1yuu h VAL 42 CO 0.05 0.34 0.02 0.74 -1.23 0.00 0.00 177.57 177.49 1yuu h THR 43 N 0.64 0.90 0.49 7.19 2.02 -1.24 -3.01 112.91 119.90 1yuu h THR 43 Ca 0.14 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 1yuu h THR 43 Cb 0.43 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1yuu h THR 43 CO 0.01 0.01 -0.23 -0.61 0.37 0.00 0.00 175.52 175.08 1yuu h GLN 44 N 0.08 -0.63 -0.82 6.66 4.15 0.21 -3.42 115.11 121.35 1yuu h GLN 44 Ca 0.08 0.04 -0.35 0.00 0.77 0.00 0.00 58.65 59.20 1yuu h GLN 44 Cb 0.09 0.14 -0.23 0.00 0.21 0.00 0.00 27.48 27.68 1yuu h GLN 44 CO -0.12 -0.33 -0.72 1.04 -1.93 0.00 0.00 178.83 176.77 1yuu n GLN 45 N -5.27 0.72 -1.31 1.69 6.02 -0.17 -4.98 117.38 114.07 1yuu n GLN 45 Ca -0.11 -2.31 -0.05 0.00 -0.01 0.00 0.00 57.00 54.53 1yuu n GLN 45 Cb 0.31 -1.39 -0.03 0.00 1.02 0.00 0.00 30.24 30.15 1yuu n GLN 45 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1yuu n LEU 46 N 1.67 -0.69 0.23 1.08 7.94 -1.14 -4.88 117.00 121.22 1yuu n LEU 46 Ca 0.14 -2.17 -0.09 0.00 -1.11 0.00 0.00 56.01 52.79 1yuu n LEU 46 Cb 0.59 0.02 -0.04 0.00 0.53 0.00 0.00 43.42 44.52 1yuu n LEU 46 CO 0.09 1.36 0.44 1.55 -1.11 0.00 0.00 177.39 179.72 1yuu h PRO 47 N 0.33 -0.56 -1.71 1.96 0.13 -1.92 -3.34 132.00 126.90 1yuu h PRO 47 Ca -0.49 0.04 -0.26 0.00 -0.87 0.00 0.00 66.00 64.41 1yuu h PRO 47 Cb 1.47 0.13 -0.11 0.00 0.13 0.00 0.00 31.00 32.62 1yuu h PRO 47 CO -0.21 -0.37 0.28 1.58 -0.23 0.00 0.00 178.00 179.05 1yuu n HIS 48 N -3.78 1.13 0.00 1.56 -0.00 -1.26 -4.20 115.22 108.67 1yuu n HIS 48 Ca -0.07 -1.73 0.00 0.00 0.46 0.00 0.00 57.72 56.38 1yuu n HIS 48 Cb 0.23 -0.94 0.00 0.00 -0.12 0.00 0.00 29.99 29.16 1yuu n HIS 48 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 1yuu n LEU 49 N 0.78 0.00 -4.19 0.27 7.94 -1.26 -4.97 117.00 115.57 1yuu n LEU 49 Ca 0.26 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.73 1yuu n LEU 49 Cb 0.58 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.53 1yuu n LEU 49 CO 0.28 0.00 1.77 0.18 -1.11 0.00 0.00 177.39 178.51 1yuu n LEU 50 N -0.75 5.88 -4.41 -1.96 4.77 -1.25 -4.98 117.00 114.30 1yuu n LEU 50 Ca 0.00 -4.46 -0.44 0.00 -0.03 0.00 0.00 56.01 51.08 1yuu n LEU 50 Cb 0.00 -1.58 -0.01 0.00 -2.33 0.00 0.00 43.42 39.50 1yuu n LEU 50 CO 0.00 0.96 -0.03 2.29 -1.33 0.00 0.00 177.39 179.27 1yuu n LYS 51 N 5.23 0.33 -2.48 3.23 0.00 -1.26 -3.62 118.16 119.59 1yuu n LYS 51 Ca 0.40 0.12 -0.05 0.00 -0.00 0.00 0.00 58.31 58.78 1yuu n LYS 51 Cb 0.40 -1.26 0.01 0.00 -0.00 0.00 0.00 35.03 34.18 1yuu n LYS 51 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1yuu n ASP 52 N 1.77 -6.40 -0.48 -5.58 2.03 -1.26 -4.98 116.55 101.66 1yuu n ASP 52 Ca 0.13 0.50 0.11 0.00 0.52 0.00 0.00 54.79 56.05 1yuu n ASP 52 Cb 0.34 -4.24 0.42 0.00 -0.72 0.00 0.00 41.12 36.93 1yuu n ASP 52 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1yuu n VAL 53 N -0.22 0.16 -0.09 5.18 0.24 -1.24 -4.04 118.33 118.32 1yuu n VAL 53 Ca 0.07 -0.29 -0.11 0.00 -2.04 0.00 0.00 64.34 61.97 1yuu n VAL 53 Cb 0.29 0.30 -0.04 0.00 -1.47 0.00 0.00 33.84 32.92 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 1.10 -0.74 1.68 7.63 0.00 -1.26 -4.19 105.19 109.41 1yuu n GLY 54 Ca 0.16 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 1yuu n GLY 54 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yuu n SER 55 N -4.50 3.47 -0.39 1.61 2.88 -1.26 -4.47 113.62 110.96 1yuu n SER 55 Ca -0.18 -2.88 0.35 0.00 -1.33 0.00 0.00 58.87 54.83 1yuu n SER 55 Cb 0.47 -0.69 0.62 0.00 -0.75 0.00 0.00 64.21 63.86 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 1.03 0.28 -0.98 2.46 7.12 -1.73 0.54 115.31 124.04 1yuu h LEU 56 Ca 0.35 0.21 0.33 0.00 0.13 0.00 0.00 57.88 58.90 1yuu h LEU 56 Cb 2.00 0.21 -0.16 0.00 -0.53 0.00 0.00 40.66 42.18 1yuu h LEU 56 CO 0.61 -0.33 0.41 0.44 -0.13 0.00 0.00 178.44 179.43 1yuu h ASP 57 N 0.03 0.18 0.21 1.25 5.19 -1.92 0.37 116.42 121.74 1yuu h ASP 57 Ca 0.85 0.23 0.01 0.00 -0.62 0.00 0.00 57.03 57.50 1yuu h ASP 57 Cb 2.45 0.27 -0.02 0.00 0.18 0.00 0.00 39.33 42.20 1yuu h ASP 57 CO -0.62 -0.28 -0.26 -0.08 -3.12 0.00 0.00 179.24 174.87 1yuu h GLU 58 N 0.14 -0.50 0.26 3.56 4.81 -1.27 0.05 114.58 121.62 1yuu h GLU 58 Ca 0.72 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.98 1yuu h GLU 58 Cb 1.70 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 31.19 1yuu h GLU 58 CO -0.73 -0.34 -0.20 0.87 -0.73 0.00 0.00 179.01 177.88 1yuu h LYS 59 N -0.52 -0.45 -0.66 1.92 6.56 -0.50 -0.75 116.57 122.16 1yuu h LYS 59 Ca 0.01 0.03 0.12 0.00 -1.06 0.00 0.00 60.65 59.75 1yuu h LYS 59 Cb 0.51 0.10 -0.13 0.00 -0.57 0.00 0.00 32.23 32.14 1yuu h LYS 59 CO -0.09 -0.30 -0.26 1.98 -2.06 0.00 0.00 179.45 178.72 1yuu h MET 60 N -0.47 -0.08 0.00 3.15 1.85 -0.78 0.36 114.93 118.96 1yuu h MET 60 Ca -0.01 0.01 -0.05 0.00 -0.61 0.00 0.00 59.70 59.03 1yuu h MET 60 Cb 0.42 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.46 1yuu h MET 60 CO -0.02 -0.05 -0.22 0.87 -0.40 0.00 0.00 176.91 177.09 1yuu h LYS 61 N -0.08 0.00 -0.10 0.39 1.57 -0.58 -0.26 116.57 117.51 1yuu h LYS 61 Ca 0.29 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 1yuu h LYS 61 Cb 0.54 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 1yuu h LYS 61 CO -0.71 0.22 -0.03 1.03 -0.57 0.00 0.00 179.45 179.39 1yuu h SER 62 N 0.00 0.19 -0.24 0.86 0.87 0.11 -3.25 113.55 112.09 1yuu h SER 62 Ca -0.00 -0.39 0.03 0.00 -1.23 0.00 0.00 61.79 60.19 1yuu h SER 62 Cb 0.40 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 1yuu h SER 62 CO 0.03 0.54 0.08 -0.07 -0.53 0.00 0.00 176.83 176.88 1yuu h LEU 63 N -0.15 0.09 -7.99 2.23 4.07 -0.29 -3.36 115.31 109.90 1yuu h LEU 63 Ca 0.02 0.03 -0.39 0.00 0.08 0.00 0.00 57.88 57.62 1yuu h LEU 63 Cb 0.46 0.02 -0.05 0.00 1.08 0.00 0.00 40.66 42.17 1yuu h LEU 63 CO 0.01 0.08 1.23 -0.62 -1.08 0.00 0.00 178.44 178.07 1yuu s ASP 64 N -5.32 5.39 0.40 -0.43 2.15 -0.15 -4.80 116.67 113.91 1yuu s ASP 64 Ca -0.13 -1.68 0.20 0.00 0.43 0.00 0.00 52.55 51.37 1yuu s ASP 64 Cb 0.10 -2.58 1.14 0.00 -0.30 0.00 0.00 42.92 41.28 1yuu s ASP 64 CO 0.69 -2.68 1.74 -0.37 -0.17 0.00 0.00 175.17 174.39 1yuu h VAL 65 N 6.22 0.46 -0.03 1.11 -1.51 -1.81 0.21 116.25 120.90 1yuu h VAL 65 Ca 0.24 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.59 1yuu h VAL 65 Cb 0.94 0.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.17 1yuu h VAL 65 CO 1.27 0.06 -0.01 -0.46 -1.23 0.00 0.00 177.57 177.20 1yuu n ASN 66 N -4.66 2.76 -3.95 4.19 6.94 -1.26 -5.01 115.26 114.27 1yuu n ASN 66 Ca 0.27 -1.91 -0.39 0.00 -0.02 0.00 0.00 54.58 52.53 1yuu n ASN 66 Cb 0.96 0.01 0.02 0.00 -2.36 0.00 0.00 39.78 38.41 1yuu n ASN 66 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1yuu n GLN 67 N 1.15 -0.83 0.00 -3.83 6.02 0.74 -4.91 117.38 115.72 1yuu n GLN 67 Ca 0.15 0.23 0.11 0.00 -0.01 0.00 0.00 57.00 57.47 1yuu n GLN 67 Cb 0.56 -3.27 0.02 0.00 1.02 0.00 0.00 30.24 28.57 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 -2.44 2.29 -1.31 1.08 5.68 -1.26 -4.97 116.55 115.63 1yuu n ASP 68 Ca -0.13 -1.65 -0.16 0.00 -0.50 0.00 0.00 54.79 52.36 1yuu n ASP 68 Cb 0.59 0.35 -0.06 0.00 -1.14 0.00 0.00 41.12 40.86 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 0.35 -4.84 -3.80 -1.12 7.64 -1.26 -4.97 113.62 105.62 1yuu n SER 69 Ca 0.10 0.31 -0.30 0.00 1.01 0.00 0.00 58.87 59.99 1yuu n SER 69 Cb 0.50 -3.76 -0.15 0.00 -1.01 0.00 0.00 64.21 59.79 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 -3.60 0.89 -1.06 1.43 0.41 -1.26 -4.24 118.70 111.28 1yuu s GLU 70 Ca 0.00 -1.21 -0.21 0.00 -0.41 0.00 0.00 54.97 53.13 1yuu s GLU 70 Cb 0.00 -2.25 0.07 0.00 -1.78 0.00 0.00 34.13 30.17 1yuu s GLU 70 CO 0.00 -0.96 1.45 -0.51 -0.49 0.00 0.00 175.26 174.75 1yuu s LEU 71 N 1.47 3.82 0.79 1.80 2.01 0.53 -4.91 118.68 124.20 1yuu s LEU 71 Ca 0.09 -1.73 -0.15 0.00 0.01 0.00 0.00 54.13 52.35 1yuu s LEU 71 Cb -0.18 -2.54 0.01 0.00 0.01 0.00 0.00 46.19 43.49 1yuu s LEU 71 CO -0.21 -1.37 0.72 1.17 1.01 0.00 0.00 176.35 177.67 1yuu n LYS 72 N 8.39 0.16 -0.34 1.70 4.81 -1.26 -0.86 118.16 130.76 1yuu n LYS 72 Ca 0.34 0.11 -0.03 0.00 -0.87 0.00 0.00 58.31 57.86 1yuu n LYS 72 Cb 0.50 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.52 1yuu n LYS 72 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1yuu n PHE 73 N -2.89 -0.09 0.34 5.64 -0.00 0.48 0.24 117.46 121.18 1yuu n PHE 73 Ca 0.10 1.06 0.14 0.00 -0.00 0.00 0.00 57.45 58.75 1yuu n PHE 73 Cb 0.51 -0.75 0.39 0.00 -0.00 0.00 0.00 39.48 39.63 1yuu n PHE 73 CO 0.00 0.00 0.00 -2.95 -0.00 0.00 0.00 176.76 173.81 1yuu h ASN 74 N 0.00 0.00 0.32 -2.13 -1.07 -1.88 0.18 115.58 110.99 1yuu h ASN 74 Ca 0.25 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.61 1yuu h ASN 74 Cb 0.47 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.72 1yuu h ASN 74 CO -0.84 0.00 -0.15 -0.33 0.07 0.00 0.00 177.43 176.18 1yuu h GLU 75 N 0.00 -0.41 -0.88 4.14 5.08 -0.52 -3.35 114.58 118.64 1yuu h GLU 75 Ca 0.00 0.03 0.21 0.00 -1.00 0.00 0.00 59.36 58.60 1yuu h GLU 75 Cb 0.74 0.09 -0.16 0.00 0.50 0.00 0.00 28.75 29.93 1yuu h GLU 75 CO 0.00 -0.27 -0.04 -0.92 -1.00 0.00 0.00 179.01 176.78 1yuu h TYR 76 N -1.11 -0.15 -0.99 4.33 3.20 -0.66 -0.51 116.97 121.09 1yuu h TYR 76 Ca -0.04 0.07 0.39 0.00 3.14 0.00 0.00 58.73 62.28 1yuu h TYR 76 Cb 0.32 0.21 -0.18 0.00 1.54 0.00 0.00 36.73 38.62 1yuu h TYR 76 CO 0.00 -0.35 0.44 1.87 -1.64 0.00 0.00 178.16 178.49 1yuu n TRP 77 N -5.45 1.07 -0.35 -3.82 -0.00 0.04 -0.66 117.44 108.26 1yuu n TRP 77 Ca 0.17 1.17 0.24 0.00 -0.00 0.00 0.00 57.50 59.08 1yuu n TRP 77 Cb 0.57 -1.51 0.49 0.00 -0.00 0.00 0.00 31.31 30.86 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 0.36 -0.47 5.87 -0.00 -1.25 -0.49 114.38 118.41 1yuu h ARG 78 Ca 0.80 -0.02 0.08 0.00 -0.50 0.00 0.00 59.98 60.34 1yuu h ARG 78 Cb 2.05 -0.08 -0.07 0.00 0.00 0.00 0.00 29.97 31.87 1yuu h ARG 78 CO -0.79 0.24 0.05 1.25 0.00 0.00 0.00 179.97 180.72 1yuu h LEU 79 N 0.37 -0.09 -2.00 3.04 5.85 -1.10 0.33 115.31 121.71 1yuu h LEU 79 Ca 0.69 0.10 0.02 0.00 0.84 0.00 0.00 57.88 59.53 1yuu h LEU 79 Cb 1.66 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.84 1yuu h LEU 79 CO -0.46 -0.01 0.06 0.40 -0.34 0.00 0.00 178.44 178.09 1yuu h ILE 80 N 0.17 0.96 0.05 4.05 2.04 -1.27 0.18 117.51 123.69 1yuu h ILE 80 Ca 0.23 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.09 1yuu h ILE 80 Cb 0.33 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1yuu h ILE 80 CO -0.34 0.00 -0.03 1.23 0.00 0.00 0.00 178.15 179.01 1yuu h GLY 81 N 0.00 -0.07 2.00 5.37 0.00 -0.39 0.42 103.07 110.39 1yuu h GLY 81 Ca 0.04 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 1yuu h GLY 81 CO -0.00 -0.03 -0.15 0.83 0.00 0.00 0.00 176.54 177.19 1yuu h GLU 82 N -0.43 0.00 0.25 4.80 4.39 0.57 0.34 114.58 124.51 1yuu h GLU 82 Ca -0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1yuu h GLU 82 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1yuu h GLU 82 CO 0.01 0.15 -0.12 -0.07 -1.16 0.00 0.00 179.01 177.82 1yuu h LEU 83 N 0.00 -0.29 -2.09 1.33 3.38 -0.39 0.47 115.31 117.72 1yuu h LEU 83 Ca -0.00 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.82 1yuu h LEU 83 Cb 0.51 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1yuu h LEU 83 CO 0.02 0.11 0.21 0.00 0.09 0.00 0.00 178.44 178.87 1yuu h ALA 84 N -0.15 2.11 0.00 1.53 0.00 0.11 0.12 119.26 122.98 1yuu h ALA 84 Ca -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1yuu h ALA 84 Cb 0.49 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1yuu h ALA 84 CO 0.06 -0.34 -0.00 -0.22 0.00 0.00 0.00 179.25 178.75 1yuu h LYS 85 N 0.00 -0.00 -0.53 0.00 3.64 -0.39 -3.38 116.57 115.91 1yuu h LYS 85 Ca 0.12 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.55 1yuu h LYS 85 Cb 0.54 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.30 1yuu h LYS 85 CO -0.00 0.73 -0.31 -0.85 -2.27 0.00 0.00 179.45 176.74 1yuu n GLU 86 N -4.66 -0.23 -0.03 1.90 0.28 0.16 0.07 120.64 118.13 1yuu n GLU 86 Ca -0.07 0.86 0.14 0.00 -0.16 0.00 0.00 57.16 57.92 1yuu n GLU 86 Cb 0.35 -1.26 0.56 0.00 1.43 0.00 0.00 31.44 32.52 1yuu n GLU 86 CO 0.00 0.00 0.00 0.97 -0.16 0.00 0.00 177.13 177.94 1yuu h ILE 87 N 0.00 0.86 0.00 3.84 2.10 -1.02 0.19 117.51 123.49 1yuu h ILE 87 Ca 0.08 -0.09 -0.08 0.00 1.08 0.00 0.00 64.86 65.86 1yuu h ILE 87 Cb 0.22 0.58 -0.01 0.00 -1.09 0.00 0.00 36.82 36.52 1yuu h ILE 87 CO -0.50 0.05 -0.82 -1.14 -1.08 0.00 0.00 178.15 174.66 1yuu n ARG 88 N -4.45 0.49 -0.36 2.19 0.00 -0.26 -4.46 116.66 109.81 1yuu n ARG 88 Ca 0.08 0.50 0.30 0.00 -0.00 0.00 0.00 57.85 58.74 1yuu n ARG 88 Cb 0.41 -1.68 0.61 0.00 0.00 0.00 0.00 32.46 31.80 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 -1.00 0.21 -0.78 -0.14 3.64 -0.12 -3.45 116.57 114.93 1yuu h LYS 89 Ca -0.11 -0.01 0.23 0.00 -1.27 0.00 0.00 60.65 59.48 1yuu h LYS 89 Cb 0.79 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 1yuu h LYS 89 CO -0.07 0.14 0.67 1.17 -2.27 0.00 0.00 179.45 179.09 1yuu n LYS 90 N -4.51 0.00 -1.28 1.90 4.81 0.65 -0.57 118.16 119.17 1yuu n LYS 90 Ca 0.29 0.53 -0.01 0.00 -0.87 0.00 0.00 58.31 58.24 1yuu n LYS 90 Cb 1.13 -1.26 0.01 0.00 0.02 0.00 0.00 35.03 34.92 1yuu n LYS 90 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1yuu n LYS 91 N -2.64 0.20 -2.08 1.64 4.81 -1.26 -5.00 118.16 113.83 1yuu n LYS 91 Ca 0.18 -0.30 -0.36 0.00 -0.87 0.00 0.00 58.31 56.95 1yuu n LYS 91 Cb 0.91 0.29 -0.04 0.00 0.02 0.00 0.00 35.03 36.21 1yuu n LYS 91 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1yuu n ASP 92 N -0.23 3.68 0.00 3.14 8.00 0.26 -3.77 116.55 127.63 1yuu n ASP 92 Ca -0.06 -2.78 0.00 0.00 0.71 0.00 0.00 54.79 52.66 1yuu n ASP 92 Cb 0.50 -1.65 0.00 0.00 -0.02 0.00 0.00 41.12 39.95 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 10.76 0.00 -3.83 0.64 -0.00 -1.26 -5.10 117.00 118.20 1yuu n LEU 93 Ca 0.48 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 56.39 1yuu n LEU 93 Cb 0.45 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.88 1yuu n LEU 93 CO 0.78 0.00 0.50 -1.59 -0.00 0.00 0.00 177.39 177.08 1yuu s LYS 94 N -1.00 2.18 0.04 1.47 -2.85 -1.25 -5.01 119.74 113.32 1yuu s LYS 94 Ca 0.00 -1.42 0.00 0.00 -1.00 0.00 0.00 55.97 53.55 1yuu s LYS 94 Cb 0.00 0.61 0.00 0.00 -2.06 0.00 0.00 37.83 36.38 1yuu s LYS 94 CO 0.00 -1.01 0.00 -0.89 0.10 0.00 0.00 175.35 173.55 1yuu n ILE 95 N -0.53 0.00 0.00 3.79 5.41 -1.26 -4.77 119.36 122.00 1yuu n ILE 95 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.68 1yuu n ILE 95 Cb 0.60 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.53 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 0.00 -1.63 -3.15 0.38 5.12 -1.26 -5.16 116.66 110.96 1yuu n ARG 96 Ca 0.00 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 55.98 1yuu n ARG 96 Cb 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.28 1yuu n ARG 96 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1yuu s LYS 97 N -1.96 0.07 0.00 5.56 2.20 -1.26 -4.86 119.74 119.48 1yuu s LYS 97 Ca 0.00 0.11 0.00 0.00 -0.36 0.00 0.00 55.97 55.72 1yuu s LYS 97 Cb 0.00 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.38 1yuu s LYS 97 CO 0.00 -0.08 0.00 1.17 -0.36 0.00 0.00 175.35 176.08