#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 -0.61 0.00 3.04 0.00 -1.26 -4.91 121.76 118.02 1yuu s ALA 2 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1yuu s ALA 2 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1yuu s ALA 2 CO 0.00 -4.22 0.00 0.00 0.00 0.00 0.00 175.76 171.54 1yuu n ALA 3 N -5.27 0.00 -2.63 0.00 0.00 -1.26 -5.11 120.51 106.24 1yuu n ALA 3 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.12 1yuu n ALA 3 Cb 0.57 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.02 4.10 0.62 0.00 -1.05 -1.26 -5.08 118.70 116.01 1yuu s GLU 4 Ca 0.00 0.22 -0.16 0.00 -0.15 0.00 0.00 54.97 54.88 1yuu s GLU 4 Cb 0.00 -3.61 -0.02 0.00 -0.44 0.00 0.00 34.13 30.06 1yuu s GLU 4 CO 0.00 -0.22 1.08 -1.25 0.95 0.00 0.00 175.26 175.82 1yuu s PRO 5 N 1.90 3.11 0.41 -4.83 0.04 -1.26 -5.07 135.00 129.30 1yuu s PRO 5 Ca 0.19 1.31 0.08 0.00 0.04 0.00 0.00 61.00 62.62 1yuu s PRO 5 Cb -0.15 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 1yuu s PRO 5 CO 0.09 -0.99 0.30 -0.51 0.04 0.00 0.00 177.00 175.93 1yuu s LEU 6 N -4.59 3.30 0.69 -3.56 1.43 -1.26 -5.11 118.68 109.58 1yuu s LEU 6 Ca 0.66 -0.85 -0.11 0.00 -1.03 0.00 0.00 54.13 52.80 1yuu s LEU 6 Cb -0.18 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.20 1yuu s LEU 6 CO 0.38 -0.60 1.06 0.28 0.23 0.00 0.00 176.35 177.70 1yuu s THR 7 N -2.51 4.06 0.16 5.49 -1.32 -1.26 -4.66 115.64 115.59 1yuu s THR 7 Ca 0.45 0.67 -0.27 0.00 -1.21 0.00 0.00 61.69 61.33 1yuu s THR 7 Cb -0.01 -3.42 0.00 0.00 -1.51 0.00 0.00 72.50 67.57 1yuu s THR 7 CO 0.26 -0.87 1.57 -0.33 -2.21 0.00 0.00 174.62 173.04 1yuu h GLU 8 N -0.70 -0.29 -0.52 7.08 5.08 -1.99 0.22 114.58 123.46 1yuu h GLU 8 Ca -0.44 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1yuu h GLU 8 Cb 1.21 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 1yuu h GLU 8 CO 0.57 -0.19 0.31 -0.07 -1.00 0.00 0.00 179.01 178.62 1yuu h LEU 9 N -0.30 0.64 -0.05 1.33 3.38 -1.98 0.10 115.31 118.42 1yuu h LEU 9 Ca 0.15 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1yuu h LEU 9 Cb 0.58 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1yuu h LEU 9 CO -0.61 0.52 -0.21 -0.08 0.09 0.00 0.00 178.44 178.15 1yuu h GLU 10 N 0.70 -0.30 0.05 1.13 4.81 -1.67 0.21 114.58 119.52 1yuu h GLU 10 Ca 0.19 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.46 1yuu h GLU 10 Cb 0.01 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.41 1yuu h GLU 10 CO -0.03 -0.20 -0.33 0.93 -0.73 0.00 0.00 179.01 178.64 1yuu h GLU 11 N -0.31 -0.50 -0.22 1.92 4.39 -0.42 -0.07 114.58 119.38 1yuu h GLU 11 Ca 0.08 0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.87 1yuu h GLU 11 Cb 0.41 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.12 1yuu h GLU 11 CO -0.23 -0.33 -0.17 1.03 -1.16 0.00 0.00 179.01 178.15 1yuu h SER 12 N -0.52 -0.54 -0.59 1.42 0.87 -0.44 -0.90 113.55 112.84 1yuu h SER 12 Ca 0.05 0.11 -0.09 0.00 -1.23 0.00 0.00 61.79 60.63 1yuu h SER 12 Cb 0.58 0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.79 1yuu h SER 12 CO -0.24 -0.21 0.05 0.16 -0.53 0.00 0.00 176.83 176.06 1yuu h ILE 13 N -0.16 1.26 0.47 2.23 -0.00 -0.46 -2.90 117.51 117.94 1yuu h ILE 13 Ca 0.13 -1.08 -0.01 0.00 -0.00 0.00 0.00 64.86 63.90 1yuu h ILE 13 Cb 0.36 0.74 -0.02 0.00 -0.00 0.00 0.00 36.82 37.90 1yuu h ILE 13 CO -0.32 0.40 -0.42 -0.08 -0.00 0.00 0.00 178.15 177.72 1yuu h GLU 14 N 0.96 -0.86 -0.94 0.16 4.22 -0.33 0.16 114.58 117.95 1yuu h GLU 14 Ca 0.18 0.06 0.11 0.00 0.08 0.00 0.00 59.36 59.79 1yuu h GLU 14 Cb 0.49 0.19 -0.08 0.00 0.50 0.00 0.00 28.75 29.85 1yuu h GLU 14 CO 0.02 -0.57 0.57 0.00 -2.18 0.00 0.00 179.01 176.85 1yuu h THR 15 N -0.89 0.91 -0.06 0.32 1.03 -1.08 0.17 112.91 113.31 1yuu h THR 15 Ca -0.05 -0.32 -0.20 0.00 -0.01 0.00 0.00 66.41 65.84 1yuu h THR 15 Cb 0.77 -0.09 -0.00 0.00 -1.07 0.00 0.00 68.15 67.76 1yuu h THR 15 CO -0.04 0.17 -0.80 -0.37 -0.01 0.00 0.00 175.52 174.47 1yuu h VAL 16 N 0.92 1.38 -0.16 0.00 -1.51 -1.37 -1.82 116.25 113.70 1yuu h VAL 16 Ca 0.47 -2.24 -0.00 0.00 -1.23 0.00 0.00 66.70 63.70 1yuu h VAL 16 Cb 0.45 2.21 -0.01 0.00 -2.13 0.00 0.00 31.29 31.81 1yuu h VAL 16 CO -0.26 0.67 0.10 0.58 -1.23 0.00 0.00 177.57 177.43 1yuu h VAL 17 N 0.28 1.06 -0.67 7.19 2.07 0.18 0.16 116.25 126.51 1yuu h VAL 17 Ca -0.05 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1yuu h VAL 17 Cb 1.40 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 1yuu h VAL 17 CO 0.14 0.06 0.32 0.00 0.02 0.00 0.00 177.57 178.10 1yuu h THR 18 N 0.19 1.23 0.18 2.57 1.03 -0.79 0.16 112.91 117.48 1yuu h THR 18 Ca 0.06 -0.66 0.01 0.00 -0.01 0.00 0.00 66.41 65.80 1yuu h THR 18 Cb 0.01 0.42 -0.02 0.00 -1.07 0.00 0.00 68.15 67.49 1yuu h THR 18 CO -0.01 0.27 -0.19 0.74 -0.01 0.00 0.00 175.52 176.32 1yuu h THR 19 N 0.94 0.57 -0.60 0.00 2.02 -1.04 0.64 112.91 115.44 1yuu h THR 19 Ca 0.23 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.52 1yuu h THR 19 Cb 0.13 0.57 -0.11 0.00 -1.74 0.00 0.00 68.15 67.00 1yuu h THR 19 CO -0.03 0.00 -0.34 0.15 0.37 0.00 0.00 175.52 175.68 1yuu h PHE 20 N -0.41 -0.93 0.02 3.16 3.57 -0.48 -1.69 116.94 120.18 1yuu h PHE 20 Ca 0.00 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1yuu h PHE 20 Cb 0.39 0.50 0.00 0.00 2.79 0.00 0.00 35.95 39.63 1yuu h PHE 20 CO -0.15 -0.38 -0.01 0.35 -2.23 0.00 0.00 178.31 175.89 1yuu h PHE 21 N -0.16 -0.02 -0.06 0.41 3.57 0.01 0.43 116.94 121.12 1yuu h PHE 21 Ca 0.23 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 1yuu h PHE 21 Cb 0.55 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 1yuu h PHE 21 CO -0.64 0.03 -0.16 0.00 -2.23 0.00 0.00 178.31 175.31 1yuu h THR 22 N -0.07 1.15 -0.29 4.41 1.03 -0.67 0.58 112.91 119.05 1yuu h THR 22 Ca -0.00 -0.69 -0.12 0.00 -0.01 0.00 0.00 66.41 65.59 1yuu h THR 22 Cb 0.07 1.29 -0.00 0.00 -1.07 0.00 0.00 68.15 68.43 1yuu h THR 22 CO 0.00 0.21 -0.28 -0.26 -0.01 0.00 0.00 175.52 175.18 1yuu h PHE 23 N 0.09 0.84 0.00 0.00 -1.00 -0.81 -3.33 116.94 112.72 1yuu h PHE 23 Ca 0.02 -0.25 -0.01 0.00 2.81 0.00 0.00 57.97 60.54 1yuu h PHE 23 Cb 0.34 -0.18 -0.00 0.00 3.61 0.00 0.00 35.95 39.73 1yuu h PHE 23 CO 0.00 0.99 -0.05 0.00 -1.61 0.00 0.00 178.31 177.65 1yuu h ALA 24 N 0.71 1.17 0.00 2.45 0.00 0.21 -0.12 119.26 123.68 1yuu h ALA 24 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yuu h ALA 24 Cb 0.85 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1yuu h ALA 24 CO 0.07 0.06 -0.05 0.07 0.00 0.00 0.00 179.25 179.40 1yuu h ARG 25 N 0.00 0.00 -0.38 0.00 -0.00 -1.46 -3.25 114.38 109.28 1yuu h ARG 25 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 59.98 60.01 1yuu h ARG 25 Cb 0.23 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 30.15 1yuu h ARG 25 CO 0.01 0.00 -0.23 1.04 -0.00 0.00 0.00 179.97 180.79 1yuu n GLN 26 N -2.40 -0.17 -4.46 0.08 3.00 -0.06 -4.71 117.38 108.67 1yuu n GLN 26 Ca 0.05 1.18 -0.28 0.00 -0.01 0.00 0.00 57.00 57.94 1yuu n GLN 26 Cb 0.45 -1.75 -0.08 0.00 0.00 0.00 0.00 30.24 28.85 1yuu n GLN 26 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1yuu s GLU 27 N -3.97 2.12 0.00 -1.09 2.02 -1.26 -5.04 118.70 111.47 1yuu s GLU 27 Ca -0.05 -2.10 0.00 0.00 0.02 0.00 0.00 54.97 52.85 1yuu s GLU 27 Cb 0.04 -1.75 0.00 0.00 0.10 0.00 0.00 34.13 32.52 1yuu s GLU 27 CO 0.24 -0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.74 1yuu n GLY 28 N -1.18 0.00 2.26 -1.39 0.00 -1.26 -4.34 105.19 99.28 1yuu n GLY 28 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.32 -0.00 1.61 1.74 -1.26 -4.61 116.66 109.82 1yuu n ARG 29 Ca 0.00 3.24 0.00 0.00 -0.77 0.00 0.00 57.85 60.32 1yuu n ARG 29 Cb 0.00 -4.28 0.00 0.00 -1.02 0.00 0.00 32.46 27.16 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 1.54 0.00 0.06 5.56 -0.00 -1.23 -2.83 118.16 121.27 1yuu n LYS 30 Ca -0.13 -0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.11 1yuu n LYS 30 Cb 0.20 -1.54 0.00 0.00 -0.00 0.00 0.00 35.03 33.69 1yuu n LYS 30 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1yuu n ASP 31 N 3.24 -0.61 -4.54 -5.58 8.00 -1.26 -4.84 116.55 110.97 1yuu n ASP 31 Ca 0.00 0.22 -0.25 0.00 0.71 0.00 0.00 54.79 55.47 1yuu n ASP 31 Cb 0.00 0.75 -0.10 0.00 -0.02 0.00 0.00 41.12 41.75 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 -3.78 3.80 0.42 -2.24 1.04 -1.13 -4.32 113.70 107.48 1yuu s SER 32 Ca 0.00 -1.07 0.07 0.00 0.48 0.00 0.00 55.95 55.44 1yuu s SER 32 Cb 0.00 -0.39 -0.05 0.00 0.10 0.00 0.00 66.02 65.68 1yuu s SER 32 CO 0.00 -0.10 0.21 -0.76 0.98 0.00 0.00 173.24 173.57 1yuu s LEU 33 N -3.59 3.14 0.37 2.42 1.02 -0.59 -4.73 118.68 116.73 1yuu s LEU 33 Ca 0.32 -1.04 -0.08 0.00 0.02 0.00 0.00 54.13 53.35 1yuu s LEU 33 Cb -0.01 -1.51 0.03 0.00 0.02 0.00 0.00 46.19 44.71 1yuu s LEU 33 CO 0.17 -0.57 0.64 -0.55 0.02 0.00 0.00 176.35 176.05 1yuu s SER 34 N -3.94 0.55 0.10 2.29 0.15 -1.26 -0.31 113.70 111.27 1yuu s SER 34 Ca 0.42 -1.37 -0.19 0.00 0.70 0.00 0.00 55.95 55.51 1yuu s SER 34 Cb 0.03 0.77 -0.04 0.00 -1.71 0.00 0.00 66.02 65.06 1yuu s SER 34 CO 0.23 -1.52 1.20 0.52 1.20 0.00 0.00 173.24 174.87 1yuu n VAL 35 N -0.57 -0.42 0.23 4.45 0.31 -1.26 -0.05 118.33 121.02 1yuu n VAL 35 Ca -0.04 1.86 -0.14 0.00 -0.01 0.00 0.00 64.34 66.02 1yuu n VAL 35 Cb 0.61 -2.34 -0.08 0.00 -0.91 0.00 0.00 33.84 31.12 1yuu n VAL 35 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1yuu h ASN 36 N 0.00 -0.50 -0.94 4.52 -1.24 -1.98 0.12 115.58 115.55 1yuu h ASN 36 Ca 0.10 -0.10 0.27 0.00 0.71 0.00 0.00 56.30 57.28 1yuu h ASN 36 Cb 0.25 0.13 -0.18 0.00 0.73 0.00 0.00 38.32 39.26 1yuu h ASN 36 CO -0.58 -0.15 0.07 -0.62 -1.29 0.00 0.00 177.43 174.86 1yuu n GLU 37 N -5.23 -0.07 0.25 6.67 1.02 -0.97 -0.78 120.64 121.54 1yuu n GLU 37 Ca -0.10 1.40 -0.13 0.00 -0.02 0.00 0.00 57.16 58.31 1yuu n GLU 37 Cb 0.30 -2.25 -0.07 0.00 -0.02 0.00 0.00 31.44 29.40 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 -0.64 -1.01 -0.32 3.57 -0.24 -3.30 116.94 115.01 1yuu h PHE 38 Ca 0.60 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 62.21 1yuu h PHE 38 Cb 1.28 0.21 -0.09 0.00 2.79 0.00 0.00 35.95 40.14 1yuu h PHE 38 CO -0.43 -0.32 0.63 -0.22 -2.23 0.00 0.00 178.31 175.74 1yuu h LYS 39 N -1.06 0.94 -0.99 1.11 3.64 0.11 0.98 116.57 121.30 1yuu h LYS 39 Ca -0.07 -0.06 0.25 0.00 -1.27 0.00 0.00 60.65 59.51 1yuu h LYS 39 Cb 0.60 -0.21 -0.13 0.00 -0.41 0.00 0.00 32.23 32.08 1yuu h LYS 39 CO 0.12 0.62 0.56 0.93 -2.27 0.00 0.00 179.45 179.41 1yuu h GLU 40 N 0.97 0.49 -0.25 1.90 5.08 -1.04 0.20 114.58 121.93 1yuu h GLU 40 Ca 0.51 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.80 1yuu h GLU 40 Cb 0.54 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1yuu h GLU 40 CO -0.28 0.33 -0.00 1.25 -1.00 0.00 0.00 179.01 179.31 1yuu h LEU 41 N 0.51 0.43 0.22 1.33 5.85 -0.88 0.13 115.31 122.90 1yuu h LEU 41 Ca 0.65 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 1yuu h LEU 41 Cb 1.28 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1yuu h LEU 41 CO -0.51 0.64 -0.10 -0.37 -0.34 0.00 0.00 178.44 177.76 1yuu h VAL 42 N 0.22 0.85 -0.42 1.05 -1.51 -1.32 0.20 116.25 115.32 1yuu h VAL 42 Ca 0.07 -0.76 0.08 0.00 -1.23 0.00 0.00 66.70 64.86 1yuu h VAL 42 Cb 0.42 1.27 -0.07 0.00 -2.13 0.00 0.00 31.29 30.77 1yuu h VAL 42 CO 0.01 0.16 -0.01 0.74 -1.23 0.00 0.00 177.57 177.24 1yuu h THR 43 N -0.70 0.67 0.00 7.19 2.02 -1.00 -0.78 112.91 120.32 1yuu h THR 43 Ca -0.03 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1yuu h THR 43 Cb 0.48 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1yuu h THR 43 CO 0.05 0.02 -0.04 -0.61 0.37 0.00 0.00 175.52 175.31 1yuu h GLN 44 N 0.10 0.00 -0.35 6.66 4.15 -0.75 -3.41 115.11 121.50 1yuu h GLN 44 Ca 0.21 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.63 1yuu h GLN 44 Cb 0.30 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.99 1yuu h GLN 44 CO -0.35 0.71 0.00 1.04 -1.93 0.00 0.00 178.83 178.30 1yuu n GLN 45 N -4.65 2.30 -3.51 1.69 1.13 0.70 -4.71 117.38 110.33 1yuu n GLN 45 Ca -0.08 -2.05 -0.28 0.00 -1.94 0.00 0.00 57.00 52.66 1yuu n GLN 45 Cb 0.35 -1.38 -0.11 0.00 0.11 0.00 0.00 30.24 29.21 1yuu n GLN 45 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1yuu s LEU 46 N -1.14 1.85 0.41 1.08 2.96 -0.30 -4.95 118.68 118.60 1yuu s LEU 46 Ca 0.30 -2.86 0.15 0.00 -0.22 0.00 0.00 54.13 51.49 1yuu s LEU 46 Cb 0.17 -0.64 0.90 0.00 0.50 0.00 0.00 46.19 47.11 1yuu s LEU 46 CO 0.23 -0.21 1.91 1.55 -1.32 0.00 0.00 176.35 178.50 1yuu h PRO 47 N 6.12 0.00 0.00 0.98 0.13 -1.84 -3.43 132.00 133.96 1yuu h PRO 47 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1yuu h PRO 47 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1yuu h PRO 47 CO 0.40 0.28 0.00 1.58 -0.23 0.00 0.00 178.00 180.03 1yuu n HIS 48 N -4.09 0.00 0.00 1.56 -0.00 -1.26 -4.92 115.22 106.50 1yuu n HIS 48 Ca -0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.16 1yuu n HIS 48 Cb 0.34 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.21 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 0.00 0.00 0.13 0.27 7.94 -1.26 -0.40 117.00 123.68 1yuu n LEU 49 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 1yuu n LEU 49 Cb 0.00 0.00 0.14 0.00 0.53 0.00 0.00 43.42 44.09 1yuu n LEU 49 CO 0.00 0.00 0.46 -0.07 -1.11 0.00 0.00 177.39 176.67 1yuu h LEU 50 N 0.00 0.00 0.00 -1.96 3.38 -1.97 -3.49 115.31 111.27 1yuu h LEU 50 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1yuu h LEU 50 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1yuu h LEU 50 CO 0.00 0.65 -0.08 2.29 0.09 0.00 0.00 178.44 181.39 1yuu n LYS 51 N -3.70 -0.45 -4.18 1.13 0.00 0.47 -4.83 118.16 106.60 1yuu n LYS 51 Ca -0.01 0.30 -0.34 0.00 -0.00 0.00 0.00 58.31 58.26 1yuu n LYS 51 Cb 0.65 -0.55 -0.03 0.00 -0.00 0.00 0.00 35.03 35.10 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 -3.82 -2.49 0.00 -5.58 8.00 -1.26 -4.78 116.55 106.63 1yuu n ASP 52 Ca 0.00 -1.03 0.01 0.00 0.71 0.00 0.00 54.79 54.49 1yuu n ASP 52 Cb 0.10 -2.75 0.07 0.00 -0.02 0.00 0.00 41.12 38.52 1yuu n ASP 52 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1yuu n VAL 53 N -4.39 0.00 0.00 2.53 3.14 -1.26 -2.75 118.33 115.60 1yuu n VAL 53 Ca -0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 1yuu n VAL 53 Cb 0.54 -0.85 0.00 0.00 -1.06 0.00 0.00 33.84 32.47 1yuu n VAL 53 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1yuu n GLY 54 N -0.74 -2.72 2.50 7.55 0.00 -1.26 -3.66 105.19 106.86 1yuu n GLY 54 Ca 0.02 0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.37 6.93 0.14 1.61 2.88 -1.11 -4.52 113.62 117.18 1yuu n SER 55 Ca 0.00 -2.76 -0.00 0.00 -1.33 0.00 0.00 58.87 54.78 1yuu n SER 55 Cb 0.00 -1.56 0.18 0.00 -0.75 0.00 0.00 64.21 62.08 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 7.81 0.00 -0.87 2.46 7.12 -1.81 -3.27 115.31 126.75 1yuu h LEU 56 Ca 0.73 0.00 0.15 0.00 0.13 0.00 0.00 57.88 58.89 1yuu h LEU 56 Cb 0.42 0.00 -0.15 0.00 -0.53 0.00 0.00 40.66 40.40 1yuu h LEU 56 CO 1.77 0.59 -0.33 -2.24 -0.13 0.00 0.00 178.44 178.11 1yuu h ASP 57 N 0.00 -1.19 -0.50 1.25 2.03 -1.92 0.22 116.42 116.30 1yuu h ASP 57 Ca -0.01 0.28 0.10 0.00 -0.73 0.00 0.00 57.03 56.67 1yuu h ASP 57 Cb 1.12 0.65 -0.10 0.00 -0.83 0.00 0.00 39.33 40.17 1yuu h ASP 57 CO 0.08 -0.29 -0.17 -0.08 -1.03 0.00 0.00 179.24 177.75 1yuu h GLU 58 N -0.04 -0.05 -0.16 4.15 4.81 -1.96 0.13 114.58 121.46 1yuu h GLU 58 Ca 0.34 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.56 1yuu h GLU 58 Cb 0.60 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1yuu h GLU 58 CO -0.90 -0.03 0.02 0.87 -0.73 0.00 0.00 179.01 178.24 1yuu h LYS 59 N -0.05 0.28 -0.77 1.92 6.56 -1.00 0.21 116.57 123.71 1yuu h LYS 59 Ca 0.24 -0.08 0.13 0.00 -1.06 0.00 0.00 60.65 59.89 1yuu h LYS 59 Cb 0.42 -0.03 -0.09 0.00 -0.57 0.00 0.00 32.23 31.96 1yuu h LYS 59 CO -0.54 0.46 0.36 1.98 -2.06 0.00 0.00 179.45 179.64 1yuu h MET 60 N 0.05 0.52 -0.30 3.15 4.05 -0.11 0.21 114.93 122.50 1yuu h MET 60 Ca 0.05 -0.03 -0.16 0.00 -0.28 0.00 0.00 59.70 59.28 1yuu h MET 60 Cb 0.32 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 1yuu h MET 60 CO 0.00 0.34 -0.44 -0.22 0.23 0.00 0.00 176.91 176.83 1yuu h LYS 61 N 0.54 0.78 -0.54 0.39 1.63 -0.40 0.26 116.57 119.22 1yuu h LYS 61 Ca 0.42 -0.43 0.03 0.00 -0.85 0.00 0.00 60.65 59.82 1yuu h LYS 61 Cb 0.58 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.20 1yuu h LYS 61 CO -0.36 1.06 0.36 0.77 -3.45 0.00 0.00 179.45 177.83 1yuu h SER 62 N 0.62 0.54 0.00 4.20 0.02 0.82 -2.64 113.55 117.12 1yuu h SER 62 Ca 0.04 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1yuu h SER 62 Cb 1.01 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1yuu h SER 62 CO 0.10 0.38 0.00 0.18 -1.14 0.00 0.00 176.83 176.34 1yuu n LEU 63 N -4.47 1.16 -4.58 5.07 4.77 0.59 -4.42 117.00 115.13 1yuu n LEU 63 Ca 0.06 0.35 -0.40 0.00 -0.03 0.00 0.00 56.01 56.00 1yuu n LEU 63 Cb 0.13 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1yuu n LEU 63 CO 0.35 -0.09 1.86 -0.62 -1.33 0.00 0.00 177.39 177.57 1yuu s ASP 64 N -1.69 6.41 0.56 -1.43 2.15 0.87 -4.67 116.67 118.86 1yuu s ASP 64 Ca 0.00 -2.26 0.37 0.00 0.43 0.00 0.00 52.55 51.09 1yuu s ASP 64 Cb 0.00 -2.58 1.77 0.00 -0.30 0.00 0.00 42.92 41.81 1yuu s ASP 64 CO 0.00 -1.62 2.10 -0.37 -0.17 0.00 0.00 175.17 175.11 1yuu h VAL 65 N 5.72 0.00 0.45 1.11 -1.51 -1.68 -3.36 116.25 116.98 1yuu h VAL 65 Ca 0.39 -0.24 -0.02 0.00 -1.23 0.00 0.00 66.70 65.60 1yuu h VAL 65 Cb 0.89 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 1yuu h VAL 65 CO 1.40 0.00 -0.22 0.78 -1.23 0.00 0.00 177.57 178.31 1yuu h ASN 66 N 0.00 -0.51 0.00 4.19 -0.26 -1.88 -3.49 115.58 113.64 1yuu h ASN 66 Ca 0.00 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.68 1yuu h ASN 66 Cb 0.25 0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.64 1yuu h ASN 66 CO 0.00 -0.09 0.00 1.67 -1.06 0.00 0.00 177.43 177.95 1yuu n GLN 67 N -5.19 0.00 -1.68 0.81 -0.06 -1.26 -5.06 117.38 104.94 1yuu n GLN 67 Ca -0.09 0.00 -0.37 0.00 -2.00 0.00 0.00 57.00 54.54 1yuu n GLN 67 Cb 0.28 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.43 1yuu n GLN 67 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 1yuu s ASP 68 N -0.42 4.63 0.00 1.69 -4.77 -1.26 -4.78 116.67 111.76 1yuu s ASP 68 Ca 0.00 0.89 0.00 0.00 -3.30 0.00 0.00 52.55 50.14 1yuu s ASP 68 Cb 0.00 -2.51 0.00 0.00 -1.09 0.00 0.00 42.92 39.32 1yuu s ASP 68 CO 0.00 -2.77 1.53 -1.20 0.70 0.00 0.00 175.17 173.43 1yuu n SER 69 N 15.17 4.21 -4.10 2.11 7.64 -1.26 -4.55 113.62 132.83 1yuu n SER 69 Ca 0.33 -2.17 -0.32 0.00 1.01 0.00 0.00 58.87 57.72 1yuu n SER 69 Cb 0.54 -0.84 -0.16 0.00 -1.01 0.00 0.00 64.21 62.74 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 0.09 2.80 -0.59 1.43 8.01 -1.26 -4.43 118.70 124.75 1yuu s GLU 70 Ca 0.00 -0.76 -0.20 0.00 0.01 0.00 0.00 54.97 54.02 1yuu s GLU 70 Cb 0.00 -2.41 0.09 0.00 -4.31 0.00 0.00 34.13 27.50 1yuu s GLU 70 CO 0.00 -0.18 0.74 -0.51 0.01 0.00 0.00 175.26 175.33 1yuu s LEU 71 N 1.24 5.08 0.88 1.80 2.01 0.57 -4.94 118.68 125.32 1yuu s LEU 71 Ca 0.02 -1.22 -0.10 0.00 0.01 0.00 0.00 54.13 52.84 1yuu s LEU 71 Cb -0.13 -2.37 0.12 0.00 0.01 0.00 0.00 46.19 43.82 1yuu s LEU 71 CO -0.10 -1.14 1.13 -0.54 1.01 0.00 0.00 176.35 176.71 1yuu s LYS 72 N 2.97 1.34 0.16 1.70 3.01 -1.26 -1.55 119.74 126.11 1yuu s LYS 72 Ca 0.15 1.45 -0.31 0.00 -1.01 0.00 0.00 55.97 56.24 1yuu s LYS 72 Cb -0.22 -1.77 -0.07 0.00 -1.01 0.00 0.00 37.83 34.76 1yuu s LYS 72 CO 0.08 -2.37 1.54 0.74 0.51 0.00 0.00 175.35 175.85 1yuu h PHE 73 N -1.68 -1.88 0.00 3.18 0.04 -1.97 0.16 116.94 114.79 1yuu h PHE 73 Ca -0.43 0.13 -0.05 0.00 2.80 0.00 0.00 57.97 60.41 1yuu h PHE 73 Cb 1.26 0.95 -0.01 0.00 2.20 0.00 0.00 35.95 40.35 1yuu h PHE 73 CO 0.52 -0.38 -0.26 -0.97 -0.60 0.00 0.00 178.31 176.62 1yuu h ASN 74 N -0.03 0.00 0.59 2.17 -1.24 -1.97 -0.18 115.58 114.92 1yuu h ASN 74 Ca 0.15 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.13 1yuu h ASN 74 Cb 0.42 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.48 1yuu h ASN 74 CO -0.91 0.26 -0.28 -0.33 -1.29 0.00 0.00 177.43 174.88 1yuu h GLU 75 N 0.00 -0.76 -0.76 6.67 5.08 -1.20 -3.30 114.58 120.31 1yuu h GLU 75 Ca -0.00 0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.49 1yuu h GLU 75 Cb 0.66 0.17 -0.07 0.00 0.50 0.00 0.00 28.75 30.01 1yuu h GLU 75 CO 0.03 -0.49 0.42 -0.92 -1.00 0.00 0.00 179.01 177.06 1yuu h TYR 76 N -1.19 0.77 -1.28 4.33 3.20 -0.61 -0.11 116.97 122.09 1yuu h TYR 76 Ca -0.08 0.03 0.46 0.00 3.14 0.00 0.00 58.73 62.28 1yuu h TYR 76 Cb 0.62 -0.23 -0.15 0.00 1.54 0.00 0.00 36.73 38.51 1yuu h TYR 76 CO 0.00 0.32 0.79 1.87 -1.64 0.00 0.00 178.16 179.50 1yuu n TRP 77 N -4.78 0.84 -0.34 -3.82 -0.00 -0.10 -0.51 117.44 108.73 1yuu n TRP 77 Ca 0.12 0.85 0.11 0.00 -0.00 0.00 0.00 57.50 58.58 1yuu n TRP 77 Cb 0.25 -1.28 0.22 0.00 -0.00 0.00 0.00 31.31 30.51 1yuu n TRP 77 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1yuu n ARG 78 N -4.88 -0.08 -0.33 5.87 1.74 -0.05 -0.38 116.66 118.54 1yuu n ARG 78 Ca 0.40 1.48 0.14 0.00 -0.77 0.00 0.00 57.85 59.11 1yuu n ARG 78 Cb 1.50 -2.30 0.36 0.00 -1.02 0.00 0.00 32.46 31.00 1yuu n ARG 78 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1yuu h LEU 79 N 0.00 0.71 -1.14 0.55 5.85 -1.00 0.16 115.31 120.45 1yuu h LEU 79 Ca 0.54 0.08 -0.08 0.00 0.84 0.00 0.00 57.88 59.26 1yuu h LEU 79 Cb 1.01 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1yuu h LEU 79 CO -0.95 0.26 -0.30 0.40 -0.34 0.00 0.00 178.44 177.52 1yuu h ILE 80 N 0.70 1.26 -0.15 4.05 2.04 -0.88 0.69 117.51 125.22 1yuu h ILE 80 Ca 0.55 -1.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.14 1yuu h ILE 80 Cb 0.95 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1yuu h ILE 80 CO -0.33 0.37 -0.14 1.23 0.00 0.00 0.00 178.15 179.28 1yuu h GLY 81 N 1.03 0.40 0.92 5.37 0.00 -0.70 -0.06 103.07 110.03 1yuu h GLY 81 Ca 0.03 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 1yuu h GLY 81 CO 0.05 0.36 -0.32 0.83 0.00 0.00 0.00 176.54 177.46 1yuu h GLU 82 N 0.00 -0.87 -0.92 4.80 4.39 -0.87 0.32 114.58 121.43 1yuu h GLU 82 Ca 0.03 0.06 0.08 0.00 0.34 0.00 0.00 59.36 59.87 1yuu h GLU 82 Cb 0.66 0.20 -0.11 0.00 -0.10 0.00 0.00 28.75 29.40 1yuu h GLU 82 CO 0.04 -0.55 -0.54 1.28 -1.16 0.00 0.00 179.01 178.07 1yuu n LEU 83 N -5.44 -0.97 0.25 1.33 4.32 0.20 0.21 117.00 116.89 1yuu n LEU 83 Ca -0.13 1.64 0.09 0.00 -0.02 0.00 0.00 56.01 57.58 1yuu n LEU 83 Cb 0.37 -0.21 0.65 0.00 -1.62 0.00 0.00 43.42 42.61 1yuu n LEU 83 CO 0.36 -1.33 0.99 0.00 -1.22 0.00 0.00 177.39 176.19 1yuu h ALA 84 N 0.46 1.65 0.00 -1.18 0.00 -0.71 -3.16 119.26 116.31 1yuu h ALA 84 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1yuu h ALA 84 Cb 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1yuu h ALA 84 CO -0.86 0.13 -0.06 -0.22 0.00 0.00 0.00 179.25 178.24 1yuu h LYS 85 N 0.00 0.00 -0.99 0.00 3.64 0.33 -3.40 116.57 116.14 1yuu h LYS 85 Ca -0.00 0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.59 1yuu h LYS 85 Cb 0.20 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 31.83 1yuu h LYS 85 CO 0.01 0.00 -0.21 0.39 -2.27 0.00 0.00 179.45 177.37 1yuu n GLU 86 N -4.10 -0.09 -0.29 1.90 -0.58 0.13 -0.03 120.64 117.58 1yuu n GLU 86 Ca -0.01 1.54 0.19 0.00 -0.42 0.00 0.00 57.16 58.46 1yuu n GLU 86 Cb 0.03 -2.32 0.36 0.00 -0.57 0.00 0.00 31.44 28.94 1yuu n GLU 86 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1yuu n ILE 87 N -5.60 -0.36 -3.01 -3.67 3.06 -1.20 -2.12 119.36 106.47 1yuu n ILE 87 Ca 0.17 1.82 -0.17 0.00 -2.50 0.00 0.00 62.75 62.07 1yuu n ILE 87 Cb 0.54 -2.78 -0.01 0.00 0.54 0.00 0.00 39.64 37.92 1yuu n ILE 87 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 1yuu n ARG 88 N -5.11 0.81 -1.73 9.51 0.00 0.48 -5.14 116.66 115.48 1yuu n ARG 88 Ca 0.26 -2.65 -0.31 0.00 -0.00 0.00 0.00 57.85 55.14 1yuu n ARG 88 Cb 0.85 -1.35 0.03 0.00 0.00 0.00 0.00 32.46 32.00 1yuu n ARG 88 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1yuu s LYS 89 N -0.64 3.12 -0.12 -0.14 2.20 0.95 -4.96 119.74 120.15 1yuu s LYS 89 Ca 0.33 1.00 -0.21 0.00 -0.36 0.00 0.00 55.97 56.73 1yuu s LYS 89 Cb 0.23 -2.01 -0.18 0.00 -1.51 0.00 0.00 37.83 34.35 1yuu s LYS 89 CO -0.14 -0.96 0.60 -0.22 -0.36 0.00 0.00 175.35 174.27 1yuu h LYS 90 N -0.36 -0.02 0.00 4.03 3.64 -1.93 -3.33 116.57 118.61 1yuu h LYS 90 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1yuu h LYS 90 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1yuu h LYS 90 CO 0.57 0.66 0.00 1.17 -2.27 0.00 0.00 179.45 179.58 1yuu n LYS 91 N -4.69 0.31 -1.26 1.90 4.81 -1.26 -3.57 118.16 114.40 1yuu n LYS 91 Ca -0.07 0.09 -0.42 0.00 -0.87 0.00 0.00 58.31 57.03 1yuu n LYS 91 Cb 0.33 -1.50 -0.04 0.00 0.02 0.00 0.00 35.03 33.84 1yuu n LYS 91 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1yuu n ASP 92 N -1.27 2.89 0.00 3.14 2.03 -1.25 -4.54 116.55 117.54 1yuu n ASP 92 Ca 0.10 -2.70 0.00 0.00 0.52 0.00 0.00 54.79 52.71 1yuu n ASP 92 Cb 0.16 -1.23 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 1yuu n ASP 92 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1yuu n LEU 93 N 7.08 0.91 -3.80 -2.67 7.94 -1.23 -4.87 117.00 120.36 1yuu n LEU 93 Ca 0.50 0.09 -0.15 0.00 -1.11 0.00 0.00 56.01 55.34 1yuu n LEU 93 Cb 0.39 -0.18 -0.16 0.00 0.53 0.00 0.00 43.42 44.00 1yuu n LEU 93 CO 1.00 -0.18 -0.36 -1.59 -1.11 0.00 0.00 177.39 175.15 1yuu s LYS 94 N -0.37 0.04 0.24 1.96 -2.85 -1.26 -4.87 119.74 112.63 1yuu s LYS 94 Ca 0.00 0.14 0.00 0.00 -1.00 0.00 0.00 55.97 55.11 1yuu s LYS 94 Cb 0.00 -0.27 0.00 0.00 -2.06 0.00 0.00 37.83 35.50 1yuu s LYS 94 CO 0.00 -0.14 0.00 1.51 0.10 0.00 0.00 175.35 176.82 1yuu n ILE 95 N 4.03 0.00 -1.85 3.79 3.06 0.12 -5.04 119.36 123.47 1yuu n ILE 95 Ca -0.26 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 59.99 1yuu n ILE 95 Cb 0.51 -0.49 0.00 0.00 0.54 0.00 0.00 39.64 40.20 1yuu n ILE 95 CO 0.00 0.00 0.00 -2.11 -2.50 0.00 0.00 176.55 171.94 1yuu n ARG 96 N -3.28 0.00 -2.66 9.51 -4.01 -1.26 -4.97 116.66 109.99 1yuu n ARG 96 Ca 0.00 0.00 -0.03 0.00 -1.04 0.00 0.00 57.85 56.78 1yuu n ARG 96 Cb 0.00 0.00 0.11 0.00 -3.04 0.00 0.00 32.46 29.53 1yuu n ARG 96 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 1yuu n LYS 97 N 0.00 0.09 -0.47 2.89 4.76 -1.26 -5.27 118.16 118.90 1yuu n LYS 97 Ca 0.00 -0.62 0.00 0.00 -2.87 0.00 0.00 58.31 54.82 1yuu n LYS 97 Cb 0.45 -0.08 0.00 0.00 -1.84 0.00 0.00 35.03 33.56 1yuu n LYS 97 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66