#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 -2.17 -1.10 3.04 0.00 -1.26 -5.03 121.76 115.24 1yuu s ALA 2 Ca 0.00 1.86 -0.09 0.00 0.00 0.00 0.00 51.96 53.72 1yuu s ALA 2 Cb 0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 1yuu s ALA 2 CO 0.00 -0.51 0.87 0.00 0.00 0.00 0.00 175.76 176.12 1yuu n ALA 3 N 0.05 -2.44 -2.82 0.00 0.00 -1.26 -4.99 120.51 109.06 1yuu n ALA 3 Ca 0.04 -0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 1yuu n ALA 3 Cb 0.57 -4.85 0.05 0.00 0.00 0.00 0.00 19.45 15.22 1yuu n ALA 3 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1yuu n GLU 4 N -3.64 1.09 0.08 0.00 0.28 -1.26 -4.98 120.64 112.21 1yuu n GLU 4 Ca -0.11 -2.61 0.13 0.00 -0.16 0.00 0.00 57.16 54.41 1yuu n GLU 4 Cb 0.62 -1.00 0.37 0.00 1.43 0.00 0.00 31.44 32.86 1yuu n GLU 4 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1yuu n PRO 5 N -0.02 0.22 -2.35 3.44 -0.04 -1.26 -4.95 135.00 130.05 1yuu n PRO 5 Ca 0.09 0.14 -0.41 0.00 -0.04 0.00 0.00 63.50 63.28 1yuu n PRO 5 Cb 0.76 -1.72 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 1yuu n PRO 5 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1yuu s LEU 6 N -4.18 4.44 0.03 1.53 1.43 -1.26 -4.97 118.68 115.70 1yuu s LEU 6 Ca 0.10 2.26 -0.26 0.00 -1.03 0.00 0.00 54.13 55.20 1yuu s LEU 6 Cb 0.14 -3.61 -0.14 0.00 0.03 0.00 0.00 46.19 42.61 1yuu s LEU 6 CO 0.62 -0.40 1.22 0.00 0.23 0.00 0.00 176.35 178.02 1yuu h THR 7 N 3.77 0.00 0.00 5.49 1.03 -1.92 -3.45 112.91 117.83 1yuu h THR 7 Ca -0.44 -0.15 0.00 0.00 -0.01 0.00 0.00 66.41 65.81 1yuu h THR 7 Cb 1.21 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.29 1yuu h THR 7 CO 0.75 0.00 0.00 1.21 -0.01 0.00 0.00 175.52 177.47 1yuu n GLU 8 N -4.94 0.00 -0.30 0.00 2.13 -1.26 -4.92 120.64 111.35 1yuu n GLU 8 Ca -0.12 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.81 1yuu n GLU 8 Cb 0.37 0.00 0.28 0.00 0.27 0.00 0.00 31.44 32.36 1yuu n GLU 8 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1yuu h LEU 9 N 0.00 0.35 -0.81 4.31 3.38 -2.01 0.65 115.31 121.18 1yuu h LEU 9 Ca 0.00 0.14 0.17 0.00 0.09 0.00 0.00 57.88 58.28 1yuu h LEU 9 Cb 0.00 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 40.75 1yuu h LEU 9 CO 0.00 0.05 0.31 -0.33 0.09 0.00 0.00 178.44 178.56 1yuu h GLU 10 N 0.44 0.38 -0.30 1.13 5.08 -1.92 0.05 114.58 119.44 1yuu h GLU 10 Ca 0.52 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.92 1yuu h GLU 10 Cb 0.94 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.05 1yuu h GLU 10 CO -0.49 0.25 -0.04 0.93 -1.00 0.00 0.00 179.01 178.67 1yuu h GLU 11 N 0.40 0.04 0.35 2.33 4.39 -1.17 0.13 114.58 121.04 1yuu h GLU 11 Ca 0.47 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.15 1yuu h GLU 11 Cb 0.80 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1yuu h GLU 11 CO -0.48 0.03 -0.17 1.03 -1.16 0.00 0.00 179.01 178.27 1yuu h SER 12 N 0.04 -0.40 -0.31 1.42 0.87 -1.07 -0.31 113.55 113.80 1yuu h SER 12 Ca 0.15 -0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 1yuu h SER 12 Cb 0.21 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 1yuu h SER 12 CO -0.28 -0.13 0.09 0.16 -0.53 0.00 0.00 176.83 176.14 1yuu h ILE 13 N -0.66 1.18 0.64 2.23 -0.00 -0.89 -1.94 117.51 118.07 1yuu h ILE 13 Ca -0.05 -0.62 -0.03 0.00 -0.00 0.00 0.00 64.86 64.16 1yuu h ILE 13 Cb 0.47 0.79 0.01 0.00 -0.00 0.00 0.00 36.82 38.08 1yuu h ILE 13 CO 0.08 0.23 -0.31 -0.08 -0.00 0.00 0.00 178.15 178.07 1yuu h GLU 14 N 0.55 -0.83 -0.98 0.16 4.22 -0.61 0.04 114.58 117.13 1yuu h GLU 14 Ca 0.13 0.06 0.14 0.00 0.08 0.00 0.00 59.36 59.76 1yuu h GLU 14 Cb 0.21 0.19 -0.09 0.00 0.50 0.00 0.00 28.75 29.57 1yuu h GLU 14 CO -0.00 -0.53 0.62 0.00 -2.18 0.00 0.00 179.01 176.91 1yuu h THR 15 N -0.91 0.86 -0.03 0.32 1.03 -0.44 0.26 112.91 113.99 1yuu h THR 15 Ca -0.09 -0.30 -0.23 0.00 -0.01 0.00 0.00 66.41 65.78 1yuu h THR 15 Cb 0.68 -0.10 0.01 0.00 -1.07 0.00 0.00 68.15 67.67 1yuu h THR 15 CO 0.14 0.16 -0.92 -0.37 -0.01 0.00 0.00 175.52 174.53 1yuu h VAL 16 N 0.88 1.35 -0.19 0.00 -1.51 -1.36 -2.18 116.25 113.24 1yuu h VAL 16 Ca 0.50 -2.28 0.02 0.00 -1.23 0.00 0.00 66.70 63.71 1yuu h VAL 16 Cb 0.62 2.30 -0.02 0.00 -2.13 0.00 0.00 31.29 32.06 1yuu h VAL 16 CO -0.27 0.69 0.07 0.58 -1.23 0.00 0.00 177.57 177.42 1yuu h VAL 17 N 0.33 0.97 -0.85 7.19 2.07 0.14 0.19 116.25 126.28 1yuu h VAL 17 Ca -0.08 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1yuu h VAL 17 Cb 1.55 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 1yuu h VAL 17 CO 0.17 0.03 0.56 0.00 0.02 0.00 0.00 177.57 178.35 1yuu h THR 18 N 0.17 1.19 -0.21 2.57 1.03 -0.78 0.20 112.91 117.08 1yuu h THR 18 Ca 0.08 -0.38 0.04 0.00 -0.01 0.00 0.00 66.41 66.14 1yuu h THR 18 Cb 0.04 -0.02 -0.04 0.00 -1.07 0.00 0.00 68.15 67.06 1yuu h THR 18 CO -0.08 0.20 -0.04 0.74 -0.01 0.00 0.00 175.52 176.34 1yuu h THR 19 N 1.11 0.81 -0.30 0.00 2.02 -0.68 -0.59 112.91 115.28 1yuu h THR 19 Ca 0.32 -0.01 0.07 0.00 0.77 0.00 0.00 66.41 67.56 1yuu h THR 19 Cb -0.07 0.79 -0.08 0.00 -1.74 0.00 0.00 68.15 67.05 1yuu h THR 19 CO -0.08 0.00 -0.23 -0.26 0.37 0.00 0.00 175.52 175.33 1yuu h PHE 20 N 0.02 -0.59 0.46 3.16 -1.00 0.63 0.47 116.94 120.09 1yuu h PHE 20 Ca 0.10 0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.91 1yuu h PHE 20 Cb 0.14 0.31 -0.02 0.00 3.61 0.00 0.00 35.95 39.99 1yuu h PHE 20 CO -0.21 -0.30 -0.43 0.74 -1.61 0.00 0.00 178.31 176.50 1yuu h PHE 21 N -0.20 -1.17 0.00 -0.55 0.04 -0.57 0.21 116.94 114.70 1yuu h PHE 21 Ca 0.16 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.91 1yuu h PHE 21 Cb 0.45 0.45 -0.00 0.00 2.20 0.00 0.00 35.95 39.04 1yuu h PHE 21 CO -0.41 -0.59 -0.11 0.00 -0.60 0.00 0.00 178.31 176.60 1yuu h THR 22 N -0.90 0.51 0.00 -1.55 1.03 -0.88 -3.10 112.91 108.03 1yuu h THR 22 Ca -0.05 -0.52 -0.01 0.00 -0.01 0.00 0.00 66.41 65.82 1yuu h THR 22 Cb 0.78 1.35 -0.00 0.00 -1.07 0.00 0.00 68.15 69.21 1yuu h THR 22 CO -0.04 0.11 -0.06 0.15 -0.01 0.00 0.00 175.52 175.66 1yuu h PHE 23 N 0.00 0.00 0.00 0.00 3.57 -0.57 -3.39 116.94 116.55 1yuu h PHE 23 Ca -0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1yuu h PHE 23 Cb 0.34 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 1yuu h PHE 23 CO 0.00 0.85 -0.02 0.00 -2.23 0.00 0.00 178.31 176.90 1yuu h ALA 24 N -0.20 1.25 0.00 2.41 0.00 -0.50 0.85 119.26 123.07 1yuu h ALA 24 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1yuu h ALA 24 Cb 0.84 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1yuu h ALA 24 CO -0.01 0.03 0.00 0.07 0.00 0.00 0.00 179.25 179.34 1yuu h ARG 25 N 0.00 0.00 -0.63 0.00 -0.00 -1.76 -3.36 114.38 108.63 1yuu h ARG 25 Ca -0.00 0.00 0.06 0.00 -0.00 0.00 0.00 59.98 60.04 1yuu h ARG 25 Cb 0.10 0.00 -0.08 0.00 -0.00 0.00 0.00 29.97 29.99 1yuu h ARG 25 CO 0.00 0.00 -0.45 0.37 -0.00 0.00 0.00 179.97 179.89 1yuu h GLN 26 N 0.00 -0.10 -4.13 0.08 5.75 -1.06 -3.37 115.11 112.28 1yuu h GLN 26 Ca 0.00 0.01 -0.60 0.00 -0.15 0.00 0.00 58.65 57.91 1yuu h GLN 26 Cb 0.45 0.02 -0.39 0.00 1.07 0.00 0.00 27.48 28.63 1yuu h GLN 26 CO 0.00 -0.07 -0.77 -1.21 -2.65 0.00 0.00 178.83 174.14 1yuu s GLU 27 N -4.99 1.30 0.16 1.69 2.02 -1.26 -5.04 118.70 112.58 1yuu s GLU 27 Ca -0.10 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 53.85 1yuu s GLU 27 Cb 0.08 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.82 1yuu s GLU 27 CO 0.48 -0.72 0.00 0.41 0.02 0.00 0.00 175.26 175.45 1yuu n GLY 28 N 4.70 -5.30 2.33 -1.39 0.00 -1.26 -4.63 105.19 99.65 1yuu n GLY 28 Ca -0.08 -0.21 -0.04 0.00 0.00 0.00 0.00 46.02 45.69 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 1.72 -4.03 -0.85 1.61 0.63 -1.26 -4.68 116.66 109.79 1yuu n ARG 29 Ca 0.00 3.08 -0.25 0.00 -0.92 0.00 0.00 57.85 59.75 1yuu n ARG 29 Cb 0.00 -4.32 -0.02 0.00 0.45 0.00 0.00 32.46 28.57 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 1.47 2.42 0.17 -0.14 2.85 -1.26 -2.83 118.16 120.83 1yuu n LYS 30 Ca -0.26 -1.61 0.00 0.00 -1.05 0.00 0.00 58.31 55.39 1yuu n LYS 30 Cb 0.40 -2.52 0.00 0.00 -0.65 0.00 0.00 35.03 32.26 1yuu n LYS 30 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1yuu n ASP 31 N 4.07 -2.66 -4.75 -5.58 2.03 -1.26 -4.77 116.55 103.62 1yuu n ASP 31 Ca 0.51 0.63 -0.40 0.00 0.52 0.00 0.00 54.79 56.06 1yuu n ASP 31 Cb 0.15 2.60 -0.05 0.00 -0.72 0.00 0.00 41.12 43.10 1yuu n ASP 31 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1yuu s SER 32 N -2.30 7.27 0.15 1.67 1.04 -1.13 -4.25 113.70 116.15 1yuu s SER 32 Ca 0.00 1.52 -0.17 0.00 0.48 0.00 0.00 55.95 57.78 1yuu s SER 32 Cb 0.00 -2.49 -0.07 0.00 0.10 0.00 0.00 66.02 63.56 1yuu s SER 32 CO 0.00 0.04 0.60 -0.76 0.98 0.00 0.00 173.24 174.10 1yuu s LEU 33 N -0.25 4.39 0.50 2.42 2.01 -0.28 -4.78 118.68 122.69 1yuu s LEU 33 Ca 0.39 1.20 0.05 0.00 0.01 0.00 0.00 54.13 55.79 1yuu s LEU 33 Cb -0.21 -3.25 0.01 0.00 0.01 0.00 0.00 46.19 42.74 1yuu s LEU 33 CO 0.24 0.13 0.30 -0.44 1.01 0.00 0.00 176.35 177.59 1yuu s SER 34 N -1.55 4.55 0.12 2.29 0.01 -1.26 -0.19 113.70 117.66 1yuu s SER 34 Ca 0.37 -1.22 -0.21 0.00 1.31 0.00 0.00 55.95 56.19 1yuu s SER 34 Cb -0.17 0.14 -0.06 0.00 0.21 0.00 0.00 66.02 66.15 1yuu s SER 34 CO 0.20 -0.90 1.71 1.62 0.41 0.00 0.00 173.24 176.27 1yuu h VAL 35 N 1.01 0.83 0.03 3.43 3.04 -1.99 0.18 116.25 122.78 1yuu h VAL 35 Ca -0.40 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.29 1yuu h VAL 35 Cb 1.29 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 1yuu h VAL 35 CO 0.62 0.00 -0.02 -1.13 -1.01 0.00 0.00 177.57 176.04 1yuu h ASN 36 N -0.03 -0.04 -0.85 3.17 -1.24 -1.99 0.47 115.58 115.08 1yuu h ASN 36 Ca 0.07 -0.24 0.10 0.00 0.71 0.00 0.00 56.30 56.94 1yuu h ASN 36 Cb 0.13 0.01 -0.11 0.00 0.73 0.00 0.00 38.32 39.07 1yuu h ASN 36 CO -0.15 0.22 -0.44 -0.62 -1.29 0.00 0.00 177.43 175.15 1yuu n GLU 37 N -4.99 -0.31 0.09 6.67 1.02 -1.11 -0.59 120.64 121.42 1yuu n GLU 37 Ca -0.08 1.29 -0.13 0.00 -0.02 0.00 0.00 57.16 58.23 1yuu n GLU 37 Cb 0.15 -1.91 -0.06 0.00 -0.02 0.00 0.00 31.44 29.61 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 -0.90 -0.85 -0.32 3.57 0.06 -2.46 116.94 116.04 1yuu h PHE 38 Ca 0.19 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.80 1yuu h PHE 38 Cb 0.41 0.39 -0.07 0.00 2.79 0.00 0.00 35.95 39.47 1yuu h PHE 38 CO -0.83 -0.43 0.51 -0.22 -2.23 0.00 0.00 178.31 175.11 1yuu h LYS 39 N -0.52 0.85 -0.80 1.11 3.64 0.11 -0.97 116.57 119.99 1yuu h LYS 39 Ca 0.04 -0.05 0.17 0.00 -1.27 0.00 0.00 60.65 59.54 1yuu h LYS 39 Cb 0.58 -0.19 -0.11 0.00 -0.41 0.00 0.00 32.23 32.10 1yuu h LYS 39 CO -0.23 0.56 0.31 0.93 -2.27 0.00 0.00 179.45 178.75 1yuu h GLU 40 N 0.87 0.39 -0.15 1.90 5.08 -0.37 0.70 114.58 123.01 1yuu h GLU 40 Ca 0.40 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.71 1yuu h GLU 40 Cb 0.30 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1yuu h GLU 40 CO -0.22 0.26 -0.01 1.25 -1.00 0.00 0.00 179.01 179.29 1yuu h LEU 41 N 0.40 0.26 -0.61 1.33 5.85 -0.98 0.18 115.31 121.74 1yuu h LEU 41 Ca 0.46 -0.32 -0.14 0.00 0.84 0.00 0.00 57.88 58.72 1yuu h LEU 41 Cb 0.77 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1yuu h LEU 41 CO -0.46 0.52 -0.64 -0.37 -0.34 0.00 0.00 178.44 177.14 1yuu h VAL 42 N -0.01 1.38 0.04 1.05 -1.51 -1.27 0.30 116.25 116.22 1yuu h VAL 42 Ca 0.04 -2.27 -0.09 0.00 -1.23 0.00 0.00 66.70 63.15 1yuu h VAL 42 Cb 0.39 2.25 0.01 0.00 -2.13 0.00 0.00 31.29 31.81 1yuu h VAL 42 CO 0.01 0.63 -0.38 0.74 -1.23 0.00 0.00 177.57 177.34 1yuu h THR 43 N 0.00 1.59 0.00 7.19 2.02 -0.80 -3.34 112.91 119.57 1yuu h THR 43 Ca -0.01 -2.23 -0.00 0.00 0.77 0.00 0.00 66.41 64.95 1yuu h THR 43 Cb 1.20 3.04 -0.00 0.00 -1.74 0.00 0.00 68.15 70.65 1yuu h THR 43 CO 0.08 0.61 -0.07 -0.61 0.37 0.00 0.00 175.52 175.91 1yuu h GLN 44 N -0.56 0.00 0.03 6.66 4.15 -0.55 -3.42 115.11 121.43 1yuu h GLN 44 Ca -0.06 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 1yuu h GLN 44 Cb 1.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1yuu h GLN 44 CO 0.07 0.00 -0.01 1.96 -1.93 0.00 0.00 178.83 178.92 1yuu h GLN 45 N -1.00 -0.04 -6.29 1.69 7.50 -1.10 -3.44 115.11 112.44 1yuu h GLN 45 Ca -0.00 0.00 -0.58 0.00 0.50 0.00 0.00 58.65 58.57 1yuu h GLN 45 Cb 0.07 0.01 -0.08 0.00 0.05 0.00 0.00 27.48 27.54 1yuu h GLN 45 CO -0.00 0.66 0.76 -0.51 -1.50 0.00 0.00 178.83 178.24 1yuu s LEU 46 N -8.58 3.91 -0.12 1.46 1.02 -1.16 -4.96 118.68 110.24 1yuu s LEU 46 Ca -0.15 0.75 -0.07 0.00 0.02 0.00 0.00 54.13 54.68 1yuu s LEU 46 Cb -0.01 -3.43 -0.04 0.00 0.02 0.00 0.00 46.19 42.73 1yuu s LEU 46 CO 0.58 -0.94 -0.02 1.55 0.02 0.00 0.00 176.35 177.54 1yuu h PRO 47 N 8.45 0.00 0.00 1.29 0.13 -1.85 -3.42 132.00 136.60 1yuu h PRO 47 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1yuu h PRO 47 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1yuu h PRO 47 CO 1.03 0.10 0.00 0.72 -0.23 0.00 0.00 178.00 179.62 1yuu n HIS 48 N -4.68 0.00 0.00 1.56 8.25 -1.26 -4.62 115.22 114.47 1yuu n HIS 48 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1yuu n HIS 48 Cb 0.17 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1yuu n HIS 48 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1yuu n LEU 49 N 0.00 0.00 -0.05 2.41 7.94 -1.26 -4.39 117.00 121.65 1yuu n LEU 49 Ca 0.00 0.56 -0.06 0.00 -1.11 0.00 0.00 56.01 55.39 1yuu n LEU 49 Cb 0.48 -0.06 -0.05 0.00 0.53 0.00 0.00 43.42 44.32 1yuu n LEU 49 CO 0.00 -0.06 0.18 -0.07 -1.11 0.00 0.00 177.39 176.33 1yuu h LEU 50 N 0.00 -0.02 -0.61 -1.96 3.38 -1.91 -3.46 115.31 110.72 1yuu h LEU 50 Ca 0.00 -0.40 -0.51 0.00 0.09 0.00 0.00 57.88 57.06 1yuu h LEU 50 Cb 0.00 0.01 -0.31 0.00 0.09 0.00 0.00 40.66 40.44 1yuu h LEU 50 CO 0.00 0.67 -0.73 2.29 0.09 0.00 0.00 178.44 180.76 1yuu n LYS 51 N -4.73 -1.14 -0.31 1.13 -0.00 -1.26 -4.81 118.16 107.05 1yuu n LYS 51 Ca -0.04 0.11 0.07 0.00 -0.00 0.00 0.00 58.31 58.45 1yuu n LYS 51 Cb 0.20 -4.63 0.22 0.00 -0.00 0.00 0.00 35.03 30.82 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 -2.25 3.46 0.28 -5.58 2.03 -1.26 -4.69 116.55 108.54 1yuu n ASP 52 Ca 0.10 -2.25 0.16 0.00 0.52 0.00 0.00 54.79 53.31 1yuu n ASP 52 Cb 0.45 -0.36 0.78 0.00 -0.72 0.00 0.00 41.12 41.27 1yuu n ASP 52 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1yuu h VAL 53 N 2.49 0.30 -0.73 5.18 -1.51 -1.92 0.33 116.25 120.39 1yuu h VAL 53 Ca 0.00 -0.50 0.17 0.00 -1.23 0.00 0.00 66.70 65.15 1yuu h VAL 53 Cb 0.99 1.38 -0.04 0.00 -2.13 0.00 0.00 31.29 31.48 1yuu h VAL 53 CO 0.07 0.07 0.50 1.23 -1.23 0.00 0.00 177.57 178.22 1yuu h GLY 54 N 1.17 0.43 -5.47 5.19 0.00 -2.00 -2.83 103.07 99.56 1yuu h GLY 54 Ca -0.00 -0.10 -0.57 0.00 0.00 0.00 0.00 47.33 46.66 1yuu h GLY 54 CO 0.01 0.02 -0.76 1.44 0.00 0.00 0.00 176.54 177.26 1yuu n SER 55 N -4.43 3.70 0.02 0.19 7.64 0.10 -4.84 113.62 116.00 1yuu n SER 55 Ca 0.14 -3.54 -0.16 0.00 1.01 0.00 0.00 58.87 56.32 1yuu n SER 55 Cb 0.64 -0.58 -0.06 0.00 -1.01 0.00 0.00 64.21 63.20 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 3.03 0.82 -0.21 -3.43 7.12 -1.51 -3.35 115.31 117.78 1yuu h LEU 56 Ca 0.13 -0.58 0.05 0.00 0.13 0.00 0.00 57.88 57.61 1yuu h LEU 56 Cb 0.60 -0.24 -0.05 0.00 -0.53 0.00 0.00 40.66 40.44 1yuu h LEU 56 CO 0.75 1.37 -0.11 -2.24 -0.13 0.00 0.00 178.44 178.09 1yuu h ASP 57 N 0.43 -0.35 -0.88 1.25 2.03 -1.88 0.84 116.42 117.85 1yuu h ASP 57 Ca -0.07 0.09 0.06 0.00 -0.73 0.00 0.00 57.03 56.37 1yuu h ASP 57 Cb 1.49 0.20 -0.06 0.00 -0.83 0.00 0.00 39.33 40.12 1yuu h ASP 57 CO 0.17 -0.14 0.55 1.05 -1.03 0.00 0.00 179.24 179.84 1yuu h GLU 58 N -0.08 0.98 0.76 4.15 4.11 -1.98 0.11 114.58 122.62 1yuu h GLU 58 Ca 0.12 -0.06 -0.03 0.00 0.07 0.00 0.00 59.36 59.45 1yuu h GLU 58 Cb 0.26 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1yuu h GLU 58 CO -0.27 0.65 -0.47 0.87 0.07 0.00 0.00 179.01 179.86 1yuu h LYS 59 N 1.01 -1.11 -0.61 1.06 6.56 -1.38 -0.23 116.57 121.88 1yuu h LYS 59 Ca 0.38 0.08 0.12 0.00 -1.06 0.00 0.00 60.65 60.17 1yuu h LYS 59 Cb 0.17 0.25 -0.12 0.00 -0.57 0.00 0.00 32.23 31.96 1yuu h LYS 59 CO -0.17 -0.74 -0.22 1.98 -2.06 0.00 0.00 179.45 178.24 1yuu h MET 60 N -1.15 -0.07 -0.36 3.15 4.05 -0.29 0.12 114.93 120.38 1yuu h MET 60 Ca -0.10 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.36 1yuu h MET 60 Cb 0.93 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.70 1yuu h MET 60 CO 0.10 -0.04 0.13 0.87 0.23 0.00 0.00 176.91 178.19 1yuu h LYS 61 N -0.07 0.27 -0.98 0.39 1.57 -0.73 0.13 116.57 117.16 1yuu h LYS 61 Ca 0.28 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.06 1yuu h LYS 61 Cb 0.50 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.70 1yuu h LYS 61 CO -0.66 0.18 0.65 0.77 -0.57 0.00 0.00 179.45 179.82 1yuu h SER 62 N 0.28 1.11 -0.02 0.86 0.02 1.00 -2.80 113.55 113.99 1yuu h SER 62 Ca 0.16 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1yuu h SER 62 Cb 0.13 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 1yuu h SER 62 CO -0.16 0.79 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.22 1yuu h LEU 63 N 1.30 0.06 -5.39 5.07 4.07 -0.35 -3.35 115.31 116.72 1yuu h LEU 63 Ca 0.37 -0.49 -0.59 0.00 0.08 0.00 0.00 57.88 57.25 1yuu h LEU 63 Cb -0.11 -0.02 0.02 0.00 1.08 0.00 0.00 40.66 41.63 1yuu h LEU 63 CO -0.09 0.54 3.29 -0.67 -1.08 0.00 0.00 178.44 180.43 1yuu n ASP 64 N -4.81 6.50 0.04 -0.43 2.03 0.41 -4.69 116.55 115.60 1yuu n ASP 64 Ca -0.08 -2.55 0.14 0.00 0.52 0.00 0.00 54.79 52.82 1yuu n ASP 64 Cb 0.27 -1.41 0.61 0.00 -0.72 0.00 0.00 41.12 39.86 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 3.39 0.87 -0.01 5.18 -1.51 -1.71 0.17 116.25 122.63 1yuu h VAL 65 Ca 0.69 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 66.11 1yuu h VAL 65 Cb 0.33 0.70 0.00 0.00 -2.13 0.00 0.00 31.29 30.19 1yuu h VAL 65 CO 1.72 0.03 -0.13 -0.46 -1.23 0.00 0.00 177.57 177.50 1yuu n ASN 66 N -4.45 1.06 -3.40 4.19 0.23 -1.26 -5.00 115.26 106.63 1yuu n ASN 66 Ca 0.06 -1.06 -0.18 0.00 -0.53 0.00 0.00 54.58 52.88 1yuu n ASN 66 Cb 0.38 0.05 0.04 0.00 -2.08 0.00 0.00 39.78 38.17 1yuu n ASN 66 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1yuu n GLN 67 N -0.43 -1.61 0.00 -3.83 6.02 0.61 -4.94 117.38 113.20 1yuu n GLN 67 Ca 0.15 0.88 0.00 0.00 -0.01 0.00 0.00 57.00 58.02 1yuu n GLN 67 Cb 0.33 -4.93 0.00 0.00 1.02 0.00 0.00 30.24 26.66 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 -2.63 0.39 -0.34 1.08 5.68 -1.26 -5.02 116.55 114.46 1yuu n ASP 68 Ca -0.08 -0.87 -0.04 0.00 -0.50 0.00 0.00 54.79 53.30 1yuu n ASP 68 Cb 0.59 0.09 -0.02 0.00 -1.14 0.00 0.00 41.12 40.63 1yuu n ASP 68 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1yuu n SER 69 N -0.09 -5.26 -4.17 -1.12 3.41 -1.26 -4.97 113.62 100.17 1yuu n SER 69 Ca 0.00 0.11 -0.36 0.00 -0.26 0.00 0.00 58.87 58.36 1yuu n SER 69 Cb 0.11 -3.14 -0.13 0.00 -0.26 0.00 0.00 64.21 60.79 1yuu n SER 69 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1yuu s GLU 70 N -2.06 2.30 -1.24 4.33 2.02 -1.26 -4.23 118.70 118.57 1yuu s GLU 70 Ca 0.00 -1.45 -0.18 0.00 0.02 0.00 0.00 54.97 53.36 1yuu s GLU 70 Cb 0.00 -3.36 0.08 0.00 0.10 0.00 0.00 34.13 30.94 1yuu s GLU 70 CO 0.00 -0.78 1.65 -0.51 0.02 0.00 0.00 175.26 175.64 1yuu s LEU 71 N 1.24 3.93 0.84 1.80 2.01 0.73 -4.88 118.68 124.34 1yuu s LEU 71 Ca 0.00 -2.34 -0.11 0.00 0.01 0.00 0.00 54.13 51.70 1yuu s LEU 71 Cb -0.21 -2.56 0.10 0.00 0.01 0.00 0.00 46.19 43.53 1yuu s LEU 71 CO -0.02 -1.18 1.10 -0.75 1.01 0.00 0.00 176.35 176.52 1yuu s LYS 72 N 4.05 1.70 0.22 1.70 2.20 -1.26 -1.12 119.74 127.23 1yuu s LYS 72 Ca 0.51 1.19 -0.15 0.00 -0.36 0.00 0.00 55.97 57.16 1yuu s LYS 72 Cb 0.03 -1.83 0.25 0.00 -1.51 0.00 0.00 37.83 34.77 1yuu s LYS 72 CO 0.04 -2.04 1.45 0.34 -0.36 0.00 0.00 175.35 174.78 1yuu n PHE 73 N -3.79 0.07 -0.24 4.03 7.35 -1.26 0.18 117.46 123.79 1yuu n PHE 73 Ca 0.09 1.15 -0.08 0.00 -0.76 0.00 0.00 57.45 57.85 1yuu n PHE 73 Cb 0.53 -0.87 0.04 0.00 0.35 0.00 0.00 39.48 39.53 1yuu n PHE 73 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 1yuu h ASN 74 N 0.00 1.06 0.23 -2.13 -1.24 -1.97 0.80 115.58 112.33 1yuu h ASN 74 Ca 0.34 -0.26 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 1yuu h ASN 74 Cb 0.57 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 39.35 1yuu h ASN 74 CO -0.93 1.04 -0.11 -0.33 -1.29 0.00 0.00 177.43 175.82 1yuu h GLU 75 N 1.03 -0.29 -0.66 6.67 5.08 -0.59 -2.96 114.58 122.86 1yuu h GLU 75 Ca 0.21 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.71 1yuu h GLU 75 Cb 0.43 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.66 1yuu h GLU 75 CO 0.01 -0.06 0.22 -0.92 -1.00 0.00 0.00 179.01 177.26 1yuu h TYR 76 N -0.49 0.37 -0.99 4.33 3.20 -0.67 0.45 116.97 123.16 1yuu h TYR 76 Ca -0.03 0.03 0.30 0.00 3.14 0.00 0.00 58.73 62.18 1yuu h TYR 76 Cb 0.37 -0.06 -0.18 0.00 1.54 0.00 0.00 36.73 38.40 1yuu h TYR 76 CO -0.01 0.04 0.14 2.35 -1.64 0.00 0.00 178.16 179.04 1yuu h TRP 77 N 0.37 0.14 -0.97 -3.82 7.01 -0.67 -0.68 115.95 117.34 1yuu h TRP 77 Ca 0.35 0.06 0.27 0.00 2.11 0.00 0.00 58.89 61.69 1yuu h TRP 77 Cb 0.51 0.10 -0.18 0.00 -2.10 0.00 0.00 29.16 27.49 1yuu h TRP 77 CO -0.20 -0.44 0.04 0.54 -2.79 0.00 0.00 178.44 175.59 1yuu n ARG 78 N -5.44 -0.08 -0.20 2.65 5.12 0.15 0.35 116.66 119.21 1yuu n ARG 78 Ca 0.26 1.45 -0.02 0.00 -1.93 0.00 0.00 57.85 57.61 1yuu n ARG 78 Cb 0.87 -2.31 0.08 0.00 -1.16 0.00 0.00 32.46 29.95 1yuu n ARG 78 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1yuu h LEU 79 N 0.00 0.40 -0.38 0.55 5.85 -1.29 0.16 115.31 120.60 1yuu h LEU 79 Ca 0.60 0.04 -0.14 0.00 0.84 0.00 0.00 57.88 59.21 1yuu h LEU 79 Cb 1.25 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1yuu h LEU 79 CO -0.90 0.26 -0.32 0.40 -0.34 0.00 0.00 178.44 177.53 1yuu h ILE 80 N 0.54 1.28 -0.60 4.05 2.04 -0.23 0.69 117.51 125.28 1yuu h ILE 80 Ca 0.27 -1.49 0.08 0.00 1.00 0.00 0.00 64.86 64.72 1yuu h ILE 80 Cb 0.21 1.38 -0.10 0.00 -0.74 0.00 0.00 36.82 37.57 1yuu h ILE 80 CO -0.20 0.50 -0.49 1.23 0.00 0.00 0.00 178.15 179.18 1yuu h GLY 81 N 0.70 -0.66 0.67 5.37 0.00 0.28 -2.63 103.07 106.80 1yuu h GLY 81 Ca 0.07 0.64 -0.00 0.00 0.00 0.00 0.00 47.33 48.04 1yuu h GLY 81 CO 0.08 -0.12 -0.03 0.83 0.00 0.00 0.00 176.54 177.30 1yuu h GLU 82 N -0.24 -0.09 -0.86 4.80 4.39 -0.54 -3.25 114.58 118.78 1yuu h GLU 82 Ca 0.15 0.01 0.14 0.00 0.34 0.00 0.00 59.36 59.99 1yuu h GLU 82 Cb 0.56 0.02 -0.14 0.00 -0.10 0.00 0.00 28.75 29.08 1yuu h GLU 82 CO -0.70 0.24 -0.33 -0.11 -1.16 0.00 0.00 179.01 176.95 1yuu n LEU 83 N -4.98 -0.55 -0.11 1.33 7.94 0.22 0.36 117.00 121.22 1yuu n LEU 83 Ca -0.08 1.50 0.12 0.00 -1.11 0.00 0.00 56.01 56.44 1yuu n LEU 83 Cb 0.20 -0.35 0.49 0.00 0.53 0.00 0.00 43.42 44.28 1yuu n LEU 83 CO 0.33 -1.36 1.19 0.00 -1.11 0.00 0.00 177.39 176.44 1yuu h ALA 84 N 1.22 2.01 0.04 1.96 0.00 -1.54 -0.95 119.26 122.01 1yuu h ALA 84 Ca 0.31 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 1yuu h ALA 84 Cb 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1yuu h ALA 84 CO -0.86 -0.15 -0.48 -0.22 0.00 0.00 0.00 179.25 177.54 1yuu h LYS 85 N 0.44 0.09 0.00 0.00 3.64 -0.22 -3.39 116.57 117.13 1yuu h LYS 85 Ca 0.30 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1yuu h LYS 85 Cb 0.58 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1yuu h LYS 85 CO -0.09 1.07 -0.01 0.93 -2.27 0.00 0.00 179.45 179.09 1yuu h GLU 86 N -0.79 0.00 -0.84 1.90 4.39 0.45 0.70 114.58 120.39 1yuu h GLU 86 Ca -0.11 0.00 0.22 0.00 0.34 0.00 0.00 59.36 59.81 1yuu h GLU 86 Cb 1.26 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.75 1yuu h GLU 86 CO 0.01 0.01 -0.03 1.51 -1.16 0.00 0.00 179.01 179.35 1yuu n ILE 87 N -4.02 -0.35 -0.08 3.13 0.13 -0.45 -1.33 119.36 116.39 1yuu n ILE 87 Ca -0.03 1.86 -0.15 0.00 -1.10 0.00 0.00 62.75 63.33 1yuu n ILE 87 Cb 0.09 -2.69 -0.11 0.00 -0.84 0.00 0.00 39.64 36.10 1yuu n ILE 87 CO 0.00 0.00 0.00 0.08 2.80 0.00 0.00 176.55 179.43 1yuu h ARG 88 N 0.00 0.00 -5.57 9.51 -0.00 -1.16 -3.45 114.38 113.70 1yuu h ARG 88 Ca 0.49 0.00 -0.62 0.00 -0.00 0.00 0.00 59.98 59.85 1yuu h ARG 88 Cb 0.96 0.00 -0.14 0.00 -0.00 0.00 0.00 29.97 30.79 1yuu h ARG 88 CO -0.81 0.85 0.55 0.21 -0.00 0.00 0.00 179.97 180.78 1yuu s LYS 89 N -2.22 3.17 -0.09 0.08 2.20 -0.44 -4.92 119.74 117.52 1yuu s LYS 89 Ca -0.21 -0.66 -0.00 0.00 -0.36 0.00 0.00 55.97 54.73 1yuu s LYS 89 Cb 0.01 -4.18 -0.00 0.00 -1.51 0.00 0.00 37.83 32.15 1yuu s LYS 89 CO 0.56 -1.73 -0.01 0.87 -0.36 0.00 0.00 175.35 174.69 1yuu h LYS 90 N 9.51 0.00 -0.19 4.03 6.56 -1.88 -3.38 116.57 131.22 1yuu h LYS 90 Ca -0.28 0.00 0.14 0.00 -1.06 0.00 0.00 60.65 59.45 1yuu h LYS 90 Cb 1.07 0.00 -0.17 0.00 -0.57 0.00 0.00 32.23 32.56 1yuu h LYS 90 CO 1.16 0.00 -0.09 0.21 -2.06 0.00 0.00 179.45 178.66 1yuu s LYS 91 N -1.54 0.15 -1.16 3.15 2.47 -1.26 -4.93 119.74 116.62 1yuu s LYS 91 Ca -0.01 -0.04 -0.24 0.00 -1.56 0.00 0.00 55.97 54.12 1yuu s LYS 91 Cb 0.00 0.02 -0.14 0.00 -1.46 0.00 0.00 37.83 36.26 1yuu s LYS 91 CO 0.01 -0.23 1.99 0.34 0.16 0.00 0.00 175.35 177.62 1yuu s ASP 92 N 2.03 4.49 0.00 1.43 -1.08 -1.26 -0.50 116.67 121.77 1yuu s ASP 92 Ca 0.15 -1.47 0.00 0.00 -0.52 0.00 0.00 52.55 50.72 1yuu s ASP 92 Cb 0.03 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 1yuu s ASP 92 CO -0.16 -3.66 0.00 -0.11 0.52 0.00 0.00 175.17 171.76 1yuu n LEU 93 N 16.18 0.00 -4.77 -1.34 7.94 -1.26 -5.11 117.00 128.64 1yuu n LEU 93 Ca 0.44 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.94 1yuu n LEU 93 Cb 0.47 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.40 1yuu n LEU 93 CO 0.65 0.00 0.90 -0.54 -1.11 0.00 0.00 177.39 177.29 1yuu s LYS 94 N 0.00 4.13 0.00 1.96 3.01 0.34 -4.69 119.74 124.49 1yuu s LYS 94 Ca 0.00 2.01 0.00 0.00 -1.01 0.00 0.00 55.97 56.97 1yuu s LYS 94 Cb 0.00 -2.82 0.00 0.00 -1.01 0.00 0.00 37.83 34.00 1yuu s LYS 94 CO 0.00 -0.31 0.00 -0.89 0.51 0.00 0.00 175.35 174.66 1yuu n ILE 95 N 0.32 0.00 0.13 2.17 5.41 -1.26 -4.50 119.36 121.63 1yuu n ILE 95 Ca 0.03 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.80 1yuu n ILE 95 Cb 0.45 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.34 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 3.36 0.00 0.38 1.74 -1.26 -4.90 116.66 115.98 1yuu n ARG 96 Ca 0.00 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1yuu n ARG 96 Cb 0.00 -0.88 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 1yuu n ARG 96 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1yuu n LYS 97 N -1.33 0.00 0.00 5.56 0.00 -1.26 -5.29 118.16 115.84 1yuu n LYS 97 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 58.31 58.44 1yuu n LYS 97 Cb 0.09 0.00 0.19 0.00 0.00 0.00 0.00 35.03 35.32 1yuu n LYS 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57