#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 -0.36 0.00 3.04 0.00 -1.26 -4.97 120.51 116.96 1yuu n ALA 2 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1yuu n ALA 2 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 -3.20 0.00 -1.90 0.00 0.00 -1.26 -5.13 120.51 109.02 1yuu n ALA 3 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 1yuu n ALA 3 Cb 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.86 4.31 -0.53 0.00 -1.05 -1.26 -4.98 118.70 114.32 1yuu s GLU 4 Ca 0.00 1.07 -0.27 0.00 -0.15 0.00 0.00 54.97 55.62 1yuu s GLU 4 Cb 0.00 -2.52 -0.01 0.00 -0.44 0.00 0.00 34.13 31.16 1yuu s GLU 4 CO 0.00 0.16 1.72 -1.25 0.95 0.00 0.00 175.26 176.84 1yuu s PRO 5 N -2.62 2.98 0.71 -4.83 0.04 -1.26 -4.99 135.00 125.02 1yuu s PRO 5 Ca 0.54 0.75 -0.16 0.00 0.04 0.00 0.00 61.00 62.17 1yuu s PRO 5 Cb -0.13 -4.27 0.03 0.00 0.04 0.00 0.00 34.50 30.16 1yuu s PRO 5 CO 0.18 -2.31 1.24 -0.51 0.04 0.00 0.00 177.00 175.64 1yuu s LEU 6 N 7.73 3.39 1.07 -3.56 1.43 -1.26 -5.01 118.68 122.47 1yuu s LEU 6 Ca 0.66 2.46 -0.15 0.00 -1.03 0.00 0.00 54.13 56.06 1yuu s LEU 6 Cb -0.14 -4.60 0.22 0.00 0.03 0.00 0.00 46.19 41.70 1yuu s LEU 6 CO 0.25 -2.22 1.12 0.28 0.23 0.00 0.00 176.35 176.01 1yuu s THR 7 N -1.79 1.85 0.02 5.49 -1.32 -1.26 -4.71 115.64 113.92 1yuu s THR 7 Ca 0.77 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.98 1yuu s THR 7 Cb -0.32 -2.56 -0.15 0.00 -1.51 0.00 0.00 72.50 67.95 1yuu s THR 7 CO 0.44 0.00 1.15 -0.08 -2.21 0.00 0.00 174.62 173.92 1yuu h GLU 8 N -2.10 -0.94 -0.83 7.08 4.81 -1.99 0.16 114.58 120.77 1yuu h GLU 8 Ca -0.50 0.06 0.09 0.00 -0.13 0.00 0.00 59.36 58.89 1yuu h GLU 8 Cb 1.31 0.21 -0.07 0.00 0.63 0.00 0.00 28.75 30.83 1yuu h GLU 8 CO 0.48 -0.62 0.48 -0.07 -0.73 0.00 0.00 179.01 178.55 1yuu h LEU 9 N -1.24 0.70 -0.04 1.64 4.07 -1.99 0.12 115.31 118.56 1yuu h LEU 9 Ca -0.10 0.05 0.04 0.00 0.08 0.00 0.00 57.88 57.94 1yuu h LEU 9 Cb 0.75 -0.09 -0.05 0.00 1.08 0.00 0.00 40.66 42.35 1yuu h LEU 9 CO 0.16 0.40 -0.28 -0.08 -1.08 0.00 0.00 178.44 177.57 1yuu h GLU 10 N 0.81 -0.38 -0.25 1.13 4.81 -1.92 0.19 114.58 118.97 1yuu h GLU 10 Ca 0.40 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.70 1yuu h GLU 10 Cb 0.35 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 1yuu h GLU 10 CO -0.24 -0.25 -0.06 1.05 -0.73 0.00 0.00 179.01 178.78 1yuu h GLU 11 N -0.39 0.01 -0.21 1.92 -0.00 0.90 -0.08 114.58 116.73 1yuu h GLU 11 Ca 0.07 -0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.41 1yuu h GLU 11 Cb 0.50 -0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.24 1yuu h GLU 11 CO -0.27 0.00 0.02 0.77 -0.00 0.00 0.00 179.01 179.54 1yuu h SER 12 N 0.01 0.34 -0.17 3.06 0.02 -0.74 0.16 113.55 116.22 1yuu h SER 12 Ca 0.12 -0.28 -0.07 0.00 -0.84 0.00 0.00 61.79 60.72 1yuu h SER 12 Cb 0.18 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1yuu h SER 12 CO -0.26 0.53 -0.11 0.16 -1.14 0.00 0.00 176.83 176.02 1yuu h ILE 13 N 0.13 1.23 0.50 3.27 -0.00 -0.47 -1.05 117.51 121.13 1yuu h ILE 13 Ca 0.06 -1.01 -0.02 0.00 -0.00 0.00 0.00 64.86 63.88 1yuu h ILE 13 Cb 0.35 1.11 0.00 0.00 -0.00 0.00 0.00 36.82 38.28 1yuu h ILE 13 CO 0.01 0.33 -0.24 -0.08 -0.00 0.00 0.00 178.15 178.17 1yuu h GLU 14 N 0.49 -0.65 -1.00 0.16 4.22 -0.64 0.03 114.58 117.20 1yuu h GLU 14 Ca 0.09 0.04 0.18 0.00 0.08 0.00 0.00 59.36 59.76 1yuu h GLU 14 Cb 0.49 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 29.78 1yuu h GLU 14 CO 0.03 -0.43 0.61 0.00 -2.18 0.00 0.00 179.01 177.04 1yuu h THR 15 N -0.69 0.72 -0.06 0.32 1.03 0.16 0.35 112.91 114.75 1yuu h THR 15 Ca -0.07 -0.27 -0.22 0.00 -0.01 0.00 0.00 66.41 65.84 1yuu h THR 15 Cb 0.52 -0.13 0.01 0.00 -1.07 0.00 0.00 68.15 67.49 1yuu h THR 15 CO 0.11 0.14 -0.82 -0.37 -0.01 0.00 0.00 175.52 174.58 1yuu h VAL 16 N 0.78 1.31 -0.28 0.00 -1.51 -1.19 -2.98 116.25 112.38 1yuu h VAL 16 Ca 0.57 -2.08 0.03 0.00 -1.23 0.00 0.00 66.70 64.00 1yuu h VAL 16 Cb 0.86 2.27 -0.03 0.00 -2.13 0.00 0.00 31.29 32.25 1yuu h VAL 16 CO -0.37 0.64 0.09 0.58 -1.23 0.00 0.00 177.57 177.28 1yuu h VAL 17 N 0.32 0.92 -0.71 7.19 2.07 0.16 0.12 116.25 126.32 1yuu h VAL 17 Ca -0.08 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.38 1yuu h VAL 17 Cb 1.47 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1yuu h VAL 17 CO 0.16 0.04 0.46 0.00 0.02 0.00 0.00 177.57 178.25 1yuu h THR 18 N 0.21 1.14 0.42 2.57 1.03 -0.69 0.26 112.91 117.86 1yuu h THR 18 Ca 0.12 -0.31 -0.02 0.00 -0.01 0.00 0.00 66.41 66.19 1yuu h THR 18 Cb 0.10 0.15 -0.00 0.00 -1.07 0.00 0.00 68.15 67.32 1yuu h THR 18 CO -0.13 0.17 -0.24 0.74 -0.01 0.00 0.00 175.52 176.05 1yuu h THR 19 N 0.91 0.51 -0.75 0.00 2.02 -1.29 0.46 112.91 114.77 1yuu h THR 19 Ca 0.27 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.59 1yuu h THR 19 Cb -0.05 0.51 -0.14 0.00 -1.74 0.00 0.00 68.15 66.73 1yuu h THR 19 CO -0.08 0.00 -0.28 0.15 0.37 0.00 0.00 175.52 175.68 1yuu h PHE 20 N -0.62 -0.71 -0.04 3.16 3.04 -0.48 -1.42 116.94 119.87 1yuu h PHE 20 Ca -0.05 0.08 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 1yuu h PHE 20 Cb 0.50 0.42 -0.00 0.00 2.56 0.00 0.00 35.95 39.43 1yuu h PHE 20 CO -0.08 -0.37 0.00 0.35 -2.02 0.00 0.00 178.31 176.20 1yuu h PHE 21 N -0.06 0.08 -0.57 0.41 3.57 0.05 0.35 116.94 120.77 1yuu h PHE 21 Ca 0.32 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.77 1yuu h PHE 21 Cb 0.57 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 1yuu h PHE 21 CO -0.67 0.36 0.20 0.00 -2.23 0.00 0.00 178.31 175.97 1yuu h THR 22 N -0.23 1.21 -0.13 4.41 1.03 -0.71 -1.29 112.91 117.20 1yuu h THR 22 Ca 0.01 -0.70 -0.01 0.00 -0.01 0.00 0.00 66.41 65.69 1yuu h THR 22 Cb 0.33 0.56 -0.01 0.00 -1.07 0.00 0.00 68.15 67.96 1yuu h THR 22 CO 0.00 0.27 0.03 -0.26 -0.01 0.00 0.00 175.52 175.56 1yuu h PHE 23 N 0.83 0.22 -0.88 0.00 0.04 -1.01 -3.26 116.94 112.88 1yuu h PHE 23 Ca 0.19 -0.03 0.18 0.00 2.80 0.00 0.00 57.97 61.12 1yuu h PHE 23 Cb 0.20 -0.06 -0.07 0.00 2.20 0.00 0.00 35.95 38.23 1yuu h PHE 23 CO 0.01 0.36 0.58 0.00 -0.60 0.00 0.00 178.31 178.66 1yuu h ALA 24 N 0.83 2.10 -0.48 2.45 0.00 0.81 0.17 119.26 125.15 1yuu h ALA 24 Ca 0.04 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1yuu h ALA 24 Cb 0.25 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1yuu h ALA 24 CO 0.00 -0.37 0.32 -0.09 0.00 0.00 0.00 179.25 179.11 1yuu h ARG 25 N 0.47 0.55 -0.32 0.00 2.43 -1.39 -3.32 114.38 112.80 1yuu h ARG 25 Ca 0.45 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.63 1yuu h ARG 25 Cb 1.02 -0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 30.38 1yuu h ARG 25 CO -0.18 0.36 -0.47 0.37 -1.51 0.00 0.00 179.97 178.55 1yuu h GLN 26 N 0.56 -0.34 -4.73 0.20 5.75 -0.77 -3.35 115.11 112.43 1yuu h GLN 26 Ca 0.19 0.02 -0.68 0.00 -0.15 0.00 0.00 58.65 58.03 1yuu h GLN 26 Cb 0.07 0.08 -0.24 0.00 1.07 0.00 0.00 27.48 28.46 1yuu h GLN 26 CO -0.05 -0.23 -0.55 -1.21 -2.65 0.00 0.00 178.83 174.14 1yuu s GLU 27 N -5.22 3.16 -0.00 1.69 2.02 -1.26 -4.98 118.70 114.11 1yuu s GLU 27 Ca -0.12 -0.84 -0.00 0.00 0.02 0.00 0.00 54.97 54.03 1yuu s GLU 27 Cb 0.07 -3.58 0.00 0.00 0.10 0.00 0.00 34.13 30.72 1yuu s GLU 27 CO 0.51 -0.50 0.00 0.41 0.02 0.00 0.00 175.26 175.71 1yuu n GLY 28 N 4.97 -0.04 1.63 -1.39 0.00 -1.26 -4.77 105.19 104.32 1yuu n GLY 28 Ca -0.13 0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 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 2.53 -1.80 0.00 1.61 1.74 -1.26 -4.57 116.66 114.91 1yuu n ARG 29 Ca -0.00 1.64 0.00 0.00 -0.77 0.00 0.00 57.85 58.72 1yuu n ARG 29 Cb 0.01 -2.18 0.00 0.00 -1.02 0.00 0.00 32.46 29.27 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 0.64 0.33 0.00 5.56 2.85 -1.25 -1.07 118.16 125.22 1yuu n LYS 30 Ca -0.05 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.06 1yuu n LYS 30 Cb 0.08 -1.14 -0.14 0.00 -0.65 0.00 0.00 35.03 33.18 1yuu n LYS 30 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 1yuu h ASP 31 N 0.59 0.20 -3.36 -5.58 2.03 -1.87 -3.42 116.42 105.00 1yuu h ASP 31 Ca 0.00 -0.41 -0.56 0.00 -0.73 0.00 0.00 57.03 55.33 1yuu h ASP 31 Cb 0.14 -0.07 -0.05 0.00 -0.83 0.00 0.00 39.33 38.53 1yuu h ASP 31 CO 0.00 1.37 0.25 -0.94 -1.03 0.00 0.00 179.24 178.89 1yuu s SER 32 N -6.56 7.11 -0.18 4.15 1.04 -0.23 -3.68 113.70 115.34 1yuu s SER 32 Ca -0.11 1.35 -0.24 0.00 0.48 0.00 0.00 55.95 57.43 1yuu s SER 32 Cb 0.07 -2.47 -0.02 0.00 0.10 0.00 0.00 66.02 63.70 1yuu s SER 32 CO 0.81 -0.23 0.76 -0.76 0.98 0.00 0.00 173.24 174.80 1yuu s LEU 33 N 1.17 4.16 0.51 2.42 2.01 0.25 -4.41 118.68 124.79 1yuu s LEU 33 Ca 0.43 1.05 0.06 0.00 0.01 0.00 0.00 54.13 55.68 1yuu s LEU 33 Cb -0.19 -3.11 0.02 0.00 0.01 0.00 0.00 46.19 42.92 1yuu s LEU 33 CO 0.20 -0.35 0.38 -0.44 1.01 0.00 0.00 176.35 177.15 1yuu s SER 34 N 1.17 4.69 0.05 2.29 0.01 -1.26 -0.31 113.70 120.34 1yuu s SER 34 Ca 0.35 -1.13 -0.24 0.00 1.31 0.00 0.00 55.95 56.24 1yuu s SER 34 Cb -0.16 0.14 -0.16 0.00 0.21 0.00 0.00 66.02 66.04 1yuu s SER 34 CO 0.12 -0.97 1.57 0.58 0.41 0.00 0.00 173.24 174.95 1yuu h VAL 35 N 0.86 1.15 -0.04 3.43 2.07 -1.97 -0.04 116.25 121.71 1yuu h VAL 35 Ca -0.38 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1yuu h VAL 35 Cb 1.29 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1yuu h VAL 35 CO 0.58 0.12 -0.05 -1.13 0.02 0.00 0.00 177.57 177.12 1yuu h ASN 36 N -0.14 0.11 -0.82 0.57 -1.24 -1.99 -2.83 115.58 109.25 1yuu h ASN 36 Ca 0.01 -0.50 0.14 0.00 0.71 0.00 0.00 56.30 56.65 1yuu h ASN 36 Cb 0.19 -0.03 -0.14 0.00 0.73 0.00 0.00 38.32 39.06 1yuu h ASN 36 CO -0.00 0.59 -0.34 -0.33 -1.29 0.00 0.00 177.43 176.06 1yuu h GLU 37 N -0.37 -0.06 -0.11 6.67 5.08 -1.88 0.24 114.58 124.15 1yuu h GLU 37 Ca 0.01 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1yuu h GLU 37 Cb 0.56 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 1yuu h GLU 37 CO 0.01 -0.04 -0.37 0.35 -1.00 0.00 0.00 179.01 177.96 1yuu h PHE 38 N -0.06 -1.03 -0.93 4.33 3.04 -0.94 -1.79 116.94 119.55 1yuu h PHE 38 Ca 0.31 0.04 0.04 0.00 3.98 0.00 0.00 57.97 62.34 1yuu h PHE 38 Cb 0.58 0.47 -0.05 0.00 2.56 0.00 0.00 35.95 39.51 1yuu h PHE 38 CO -0.75 -0.44 0.61 -0.22 -2.02 0.00 0.00 178.31 175.49 1yuu h LYS 39 N -0.46 1.13 -0.95 1.11 3.64 -0.63 -1.33 116.57 119.08 1yuu h LYS 39 Ca 0.08 -0.07 0.13 0.00 -1.27 0.00 0.00 60.65 59.52 1yuu h LYS 39 Cb 0.59 -0.25 -0.08 0.00 -0.41 0.00 0.00 32.23 32.08 1yuu h LYS 39 CO -0.36 0.74 0.61 0.93 -2.27 0.00 0.00 179.45 179.10 1yuu h GLU 40 N 1.16 0.86 0.39 1.90 5.08 0.15 0.46 114.58 124.57 1yuu h GLU 40 Ca 0.37 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1yuu h GLU 40 Cb 0.03 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1yuu h GLU 40 CO -0.12 0.57 -0.19 1.25 -1.00 0.00 0.00 179.01 179.52 1yuu h LEU 41 N 0.88 -0.44 -0.40 1.33 7.12 -0.46 0.12 115.31 123.47 1yuu h LEU 41 Ca 0.47 -0.02 -0.13 0.00 0.13 0.00 0.00 57.88 58.33 1yuu h LEU 41 Cb 0.56 0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.79 1yuu h LEU 41 CO -0.24 -0.27 -0.27 -0.37 -0.13 0.00 0.00 178.44 177.16 1yuu h VAL 42 N -0.58 1.28 0.19 1.05 -1.51 -1.37 0.14 116.25 115.46 1yuu h VAL 42 Ca -0.05 -1.43 -0.01 0.00 -1.23 0.00 0.00 66.70 63.97 1yuu h VAL 42 Cb 0.43 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 1yuu h VAL 42 CO 0.09 0.48 -0.09 0.74 -1.23 0.00 0.00 177.57 177.56 1yuu h THR 43 N 0.71 0.81 0.21 7.19 2.02 -0.89 -2.69 112.91 120.27 1yuu h THR 43 Ca 0.08 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 1yuu h THR 43 Cb 0.85 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1yuu h THR 43 CO 0.07 0.00 -0.10 -0.61 0.37 0.00 0.00 175.52 175.25 1yuu h GLN 44 N -0.26 -0.28 -2.04 6.66 4.15 -0.46 -3.42 115.11 119.47 1yuu h GLN 44 Ca -0.03 0.02 -0.55 0.00 0.77 0.00 0.00 58.65 58.86 1yuu h GLN 44 Cb 0.20 0.06 -0.40 0.00 0.21 0.00 0.00 27.48 27.56 1yuu h GLN 44 CO 0.04 0.01 -1.03 1.04 -1.93 0.00 0.00 178.83 176.97 1yuu n GLN 45 N -4.96 1.10 -2.78 1.69 6.02 0.01 -4.88 117.38 113.59 1yuu n GLN 45 Ca -0.06 -3.51 -0.10 0.00 -0.01 0.00 0.00 57.00 53.32 1yuu n GLN 45 Cb 0.21 -1.47 0.08 0.00 1.02 0.00 0.00 30.24 30.08 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 1.10 -1.52 0.39 1.08 7.94 -1.01 -4.77 117.00 120.20 1yuu n LEU 46 Ca 0.23 -3.81 -0.16 0.00 -1.11 0.00 0.00 56.01 51.17 1yuu n LEU 46 Cb 0.53 0.60 -0.07 0.00 0.53 0.00 0.00 43.42 45.01 1yuu n LEU 46 CO 0.22 2.02 0.45 1.55 -1.11 0.00 0.00 177.39 180.51 1yuu h PRO 47 N 2.71 -0.98 0.00 1.96 0.13 -1.90 -3.37 132.00 130.55 1yuu h PRO 47 Ca -0.13 0.07 -0.09 0.00 -0.87 0.00 0.00 66.00 64.98 1yuu h PRO 47 Cb 1.15 0.22 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 1yuu h PRO 47 CO 0.15 -0.65 -0.53 1.25 -0.23 0.00 0.00 178.00 177.98 1yuu h HIS 48 N -1.16 0.00 -0.46 1.56 2.76 -1.96 -3.28 115.15 112.61 1yuu h HIS 48 Ca -0.10 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.11 1yuu h HIS 48 Cb 0.78 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.68 1yuu h HIS 48 CO 0.02 1.03 -0.27 -0.11 -1.30 0.00 0.00 177.93 177.30 1yuu n LEU 49 N -4.56 -0.49 -2.75 0.26 7.94 -1.26 -1.67 117.00 114.48 1yuu n LEU 49 Ca -0.18 0.95 -0.23 0.00 -1.11 0.00 0.00 56.01 55.45 1yuu n LEU 49 Cb 0.50 -0.17 -0.01 0.00 0.53 0.00 0.00 43.42 44.27 1yuu n LEU 49 CO 0.23 -0.73 0.08 0.18 -1.11 0.00 0.00 177.39 176.04 1yuu n LEU 50 N -4.25 3.65 0.00 -1.96 4.77 -1.26 -4.92 117.00 113.03 1yuu n LEU 50 Ca 0.01 -5.11 0.00 0.00 -0.03 0.00 0.00 56.01 50.88 1yuu n LEU 50 Cb 0.12 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1yuu n LEU 50 CO -0.07 2.18 0.13 2.29 -1.33 0.00 0.00 177.39 180.58 1yuu n LYS 51 N -0.25 0.00 -1.98 3.23 -0.00 -0.67 -2.72 118.16 115.78 1yuu n LYS 51 Ca 0.30 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 58.28 1yuu n LYS 51 Cb 0.60 -1.32 0.03 0.00 -0.00 0.00 0.00 35.03 34.34 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 -0.71 6.33 0.25 -5.58 8.00 -1.26 -4.81 116.55 118.77 1yuu n ASP 52 Ca 0.00 -3.78 0.14 0.00 0.71 0.00 0.00 54.79 51.86 1yuu n ASP 52 Cb 0.00 -0.76 0.73 0.00 -0.02 0.00 0.00 41.12 41.08 1yuu n ASP 52 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1yuu h VAL 53 N 1.99 0.00 -0.89 2.53 -1.51 -1.91 -0.17 116.25 116.30 1yuu h VAL 53 Ca 0.47 0.00 0.24 0.00 -1.23 0.00 0.00 66.70 66.18 1yuu h VAL 53 Cb 0.69 0.60 -0.15 0.00 -2.13 0.00 0.00 31.29 30.30 1yuu h VAL 53 CO 1.19 0.00 0.19 1.23 -1.23 0.00 0.00 177.57 178.95 1yuu h GLY 54 N 0.00 1.34 -3.25 5.19 0.00 -1.90 -0.16 103.07 104.29 1yuu h GLY 54 Ca 0.00 0.01 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 1yuu h GLY 54 CO 0.00 -0.41 0.41 -1.26 0.00 0.00 0.00 176.54 175.28 1yuu n SER 55 N -5.28 3.96 -0.26 0.19 2.88 -0.07 -4.27 113.62 110.75 1yuu n SER 55 Ca 0.22 -3.00 0.05 0.00 -1.33 0.00 0.00 58.87 54.81 1yuu n SER 55 Cb 0.71 -0.75 0.18 0.00 -0.75 0.00 0.00 64.21 63.60 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 1.22 0.40 -1.00 2.46 7.12 -1.20 -1.48 115.31 122.83 1yuu h LEU 56 Ca 0.38 0.09 0.12 0.00 0.13 0.00 0.00 57.88 58.59 1yuu h LEU 56 Cb 1.92 0.03 -0.14 0.00 -0.53 0.00 0.00 40.66 41.95 1yuu h LEU 56 CO 0.70 0.18 -0.50 -0.67 -0.13 0.00 0.00 178.44 178.03 1yuu n ASP 57 N -4.92 -0.87 0.11 1.25 2.03 -1.26 -0.17 116.55 112.71 1yuu n ASP 57 Ca 0.14 1.76 -0.13 0.00 0.52 0.00 0.00 54.79 57.07 1yuu n ASP 57 Cb 0.38 -0.31 -0.07 0.00 -0.72 0.00 0.00 41.12 40.40 1yuu n ASP 57 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1yuu h GLU 58 N 0.00 -0.17 -1.00 -0.67 4.57 -1.63 -0.58 114.58 115.09 1yuu h GLU 58 Ca 0.24 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.51 1yuu h GLU 58 Cb 0.49 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.05 1yuu h GLU 58 CO -0.96 -0.11 0.64 -0.22 -1.18 0.00 0.00 179.01 177.18 1yuu h LYS 59 N -0.19 1.11 0.52 1.92 1.63 -0.77 0.56 116.57 121.35 1yuu h LYS 59 Ca -0.02 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.70 1yuu h LYS 59 Cb 0.14 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 1yuu h LYS 59 CO 0.03 0.74 -0.38 1.98 -3.45 0.00 0.00 179.45 178.36 1yuu h MET 60 N 1.14 -0.84 -0.30 1.90 4.05 -0.01 0.82 114.93 121.69 1yuu h MET 60 Ca 0.44 0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.89 1yuu h MET 60 Cb 0.22 0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.19 1yuu h MET 60 CO -0.18 -0.56 0.08 1.57 0.23 0.00 0.00 176.91 178.05 1yuu h LYS 61 N -0.88 0.43 0.06 0.39 2.10 -0.54 -0.15 116.57 117.99 1yuu h LYS 61 Ca -0.06 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1yuu h LYS 61 Cb 0.74 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 31.98 1yuu h LYS 61 CO 0.02 0.40 -0.05 1.03 -2.00 0.00 0.00 179.45 178.84 1yuu h SER 62 N 0.43 -0.13 0.01 7.07 0.87 -0.63 -3.23 113.55 117.94 1yuu h SER 62 Ca 0.10 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1yuu h SER 62 Cb 0.15 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1yuu h SER 62 CO -0.01 -0.08 -0.00 -0.07 -0.53 0.00 0.00 176.83 176.14 1yuu h LEU 63 N -0.12 -0.01 -6.28 2.23 4.07 0.19 -3.37 115.31 112.02 1yuu h LEU 63 Ca -0.00 -0.19 -0.71 0.00 0.08 0.00 0.00 57.88 57.07 1yuu h LEU 63 Cb 0.11 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.81 1yuu h LEU 63 CO -0.01 0.18 2.99 -0.67 -1.08 0.00 0.00 178.44 179.86 1yuu n ASP 64 N -5.00 4.04 -0.34 -0.43 2.03 -0.17 -4.79 116.55 111.89 1yuu n ASP 64 Ca -0.08 -2.85 0.15 0.00 0.52 0.00 0.00 54.79 52.53 1yuu n ASP 64 Cb 0.12 -1.67 0.35 0.00 -0.72 0.00 0.00 41.12 39.20 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 4.23 0.60 -0.00 5.18 -1.51 -1.77 0.39 116.25 123.37 1yuu h VAL 65 Ca 0.55 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.80 1yuu h VAL 65 Cb 0.67 -0.09 0.00 0.00 -2.13 0.00 0.00 31.29 29.75 1yuu h VAL 65 CO 1.82 0.11 -0.11 -0.46 -1.23 0.00 0.00 177.57 177.71 1yuu n ASN 66 N -4.86 0.16 -3.60 4.19 0.23 -1.26 -4.96 115.26 105.16 1yuu n ASN 66 Ca 0.25 0.12 -0.20 0.00 -0.53 0.00 0.00 54.58 54.22 1yuu n ASN 66 Cb 0.67 -0.27 0.05 0.00 -2.08 0.00 0.00 39.78 38.15 1yuu n ASN 66 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 1yuu n GLN 67 N -1.39 -5.33 -0.00 -3.83 -0.06 0.14 -4.91 117.38 102.00 1yuu n GLN 67 Ca 0.09 0.70 0.10 0.00 -2.00 0.00 0.00 57.00 55.88 1yuu n GLN 67 Cb 0.32 -5.39 -0.13 0.00 -4.06 0.00 0.00 30.24 20.97 1yuu n GLN 67 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 1yuu n ASP 68 N -3.08 0.77 -0.45 1.69 5.68 -1.26 -4.99 116.55 114.91 1yuu n ASP 68 Ca -0.29 -0.74 -0.06 0.00 -0.50 0.00 0.00 54.79 53.20 1yuu n ASP 68 Cb 0.67 1.24 -0.03 0.00 -1.14 0.00 0.00 41.12 41.87 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 -1.67 -4.00 -4.17 -1.12 7.64 -1.26 -5.00 113.62 104.03 1yuu n SER 69 Ca 0.02 0.15 -0.34 0.00 1.01 0.00 0.00 58.87 59.70 1yuu n SER 69 Cb 0.38 -2.02 -0.14 0.00 -1.01 0.00 0.00 64.21 61.41 1yuu n SER 69 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1yuu s GLU 70 N -2.18 2.64 -1.01 1.43 2.12 -1.26 -4.60 118.70 115.85 1yuu s GLU 70 Ca 0.00 -1.10 -0.21 0.00 0.36 0.00 0.00 54.97 54.02 1yuu s GLU 70 Cb 0.00 -3.00 0.09 0.00 0.26 0.00 0.00 34.13 31.47 1yuu s GLU 70 CO 0.00 -0.47 1.35 -0.51 -0.54 0.00 0.00 175.26 175.08 1yuu s LEU 71 N 1.27 4.14 0.64 2.70 2.01 0.58 -4.94 118.68 125.08 1yuu s LEU 71 Ca -0.02 -1.78 -0.13 0.00 0.01 0.00 0.00 54.13 52.21 1yuu s LEU 71 Cb -0.18 -2.50 -0.02 0.00 0.01 0.00 0.00 46.19 43.50 1yuu s LEU 71 CO -0.04 -1.30 1.05 -0.75 1.01 0.00 0.00 176.35 176.32 1yuu s LYS 72 N 3.98 3.22 0.13 1.70 2.20 -1.26 -0.58 119.74 129.12 1yuu s LYS 72 Ca 0.41 1.00 -0.26 0.00 -0.36 0.00 0.00 55.97 56.76 1yuu s LYS 72 Cb -0.02 -2.03 -0.06 0.00 -1.51 0.00 0.00 37.83 34.22 1yuu s LYS 72 CO -0.08 -0.88 1.38 0.34 -0.36 0.00 0.00 175.35 175.75 1yuu n PHE 73 N -2.64 -0.37 0.21 4.03 -0.00 -1.24 0.16 117.46 117.61 1yuu n PHE 73 Ca 0.08 1.04 0.07 0.00 -0.00 0.00 0.00 57.45 58.63 1yuu n PHE 73 Cb 0.53 -0.56 0.45 0.00 -0.00 0.00 0.00 39.48 39.90 1yuu n PHE 73 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 176.76 175.79 1yuu h ASN 74 N 0.00 0.00 0.57 -2.13 -1.24 -1.94 0.88 115.58 111.72 1yuu h ASN 74 Ca 0.13 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.12 1yuu h ASN 74 Cb 0.34 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.40 1yuu h ASN 74 CO -0.78 0.30 -0.27 -0.33 -1.29 0.00 0.00 177.43 175.06 1yuu h GLU 75 N 0.00 -0.73 -0.93 6.67 5.08 -0.63 -3.32 114.58 120.71 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 0.69 0.17 -0.07 0.00 0.50 0.00 0.00 28.75 30.04 1yuu h GLU 75 CO 0.04 -0.48 0.60 -0.92 -1.00 0.00 0.00 179.01 177.25 1yuu h TYR 76 N -1.19 1.05 -0.91 4.33 3.20 -0.49 -0.17 116.97 122.80 1yuu h TYR 76 Ca -0.08 0.03 0.28 0.00 3.14 0.00 0.00 58.73 62.10 1yuu h TYR 76 Cb 0.60 -0.34 -0.17 0.00 1.54 0.00 0.00 36.73 38.36 1yuu h TYR 76 CO 0.00 0.50 0.12 1.87 -1.64 0.00 0.00 178.16 179.01 1yuu n TRP 77 N -4.53 0.68 -0.32 -3.82 -0.00 0.29 -0.58 117.44 109.16 1yuu n TRP 77 Ca 0.15 1.09 0.18 0.00 -0.00 0.00 0.00 57.50 58.92 1yuu n TRP 77 Cb 0.27 -1.25 0.34 0.00 -0.00 0.00 0.00 31.31 30.67 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 -5.28 -0.07 0.07 5.87 1.74 -0.08 0.74 116.66 119.66 1yuu n ARG 78 Ca 0.24 1.36 -0.13 0.00 -0.77 0.00 0.00 57.85 58.55 1yuu n ARG 78 Cb 0.80 -2.23 -0.07 0.00 -1.02 0.00 0.00 32.46 29.94 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 -1.20 -1.11 0.55 5.85 -1.07 0.36 115.31 118.69 1yuu h LEU 79 Ca 0.62 0.14 0.02 0.00 0.84 0.00 0.00 57.88 59.50 1yuu h LEU 79 Cb 1.39 0.47 -0.05 0.00 0.37 0.00 0.00 40.66 42.84 1yuu h LEU 79 CO -0.83 -0.45 0.60 0.40 -0.34 0.00 0.00 178.44 177.82 1yuu h ILE 80 N -0.58 1.20 -0.10 4.05 1.08 0.19 0.65 117.51 124.00 1yuu h ILE 80 Ca 0.04 -0.41 0.04 0.00 -0.39 0.00 0.00 64.86 64.14 1yuu h ILE 80 Cb 0.64 -0.10 -0.06 0.00 -3.07 0.00 0.00 36.82 34.23 1yuu h ILE 80 CO -0.29 0.22 -0.41 1.23 -0.69 0.00 0.00 178.15 178.21 1yuu h GLY 81 N 1.19 -0.69 0.83 5.37 0.00 0.38 -3.11 103.07 107.04 1yuu h GLY 81 Ca 0.35 0.50 -0.00 0.00 0.00 0.00 0.00 47.33 48.18 1yuu h GLY 81 CO -0.09 -0.23 0.01 0.83 0.00 0.00 0.00 176.54 177.06 1yuu h GLU 82 N -0.50 0.04 -0.84 4.80 5.08 0.14 -3.25 114.58 120.04 1yuu h GLU 82 Ca 0.07 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.56 1yuu h GLU 82 Cb 0.62 -0.01 -0.15 0.00 0.50 0.00 0.00 28.75 29.72 1yuu h GLU 82 CO -0.37 0.20 -0.35 -0.07 -1.00 0.00 0.00 179.01 177.42 1yuu h LEU 83 N -0.13 -1.26 -1.49 1.33 3.38 -0.88 0.53 115.31 116.80 1yuu h LEU 83 Ca 0.01 0.28 0.14 0.00 0.09 0.00 0.00 57.88 58.40 1yuu h LEU 83 Cb 0.18 0.67 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 1yuu h LEU 83 CO -0.00 -0.29 0.52 0.00 0.09 0.00 0.00 178.44 178.76 1yuu h ALA 84 N 1.32 2.02 0.01 1.53 0.00 -1.64 0.04 119.26 122.54 1yuu h ALA 84 Ca 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1yuu h ALA 84 Cb 0.59 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1yuu h ALA 84 CO -0.87 -0.23 -0.01 -0.22 0.00 0.00 0.00 179.25 177.92 1yuu h LYS 85 N 0.51 -0.02 -0.07 0.00 3.64 -0.22 -3.38 116.57 117.04 1yuu h LYS 85 Ca 0.39 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.76 1yuu h LYS 85 Cb 0.79 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1yuu h LYS 85 CO -0.14 0.76 -0.00 0.93 -2.27 0.00 0.00 179.45 178.72 1yuu h GLU 86 N -0.90 0.10 -0.99 1.90 4.39 0.38 0.31 114.58 119.76 1yuu h GLU 86 Ca -0.00 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.77 1yuu h GLU 86 Cb 0.79 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.35 1yuu h GLU 86 CO 0.00 0.11 0.63 0.97 -1.16 0.00 0.00 179.01 179.57 1yuu h ILE 87 N 0.10 1.04 0.14 3.13 2.10 -1.20 -2.84 117.51 119.98 1yuu h ILE 87 Ca 0.02 -0.38 -0.01 0.00 1.08 0.00 0.00 64.86 65.58 1yuu h ILE 87 Cb 0.08 -0.17 0.00 0.00 -1.09 0.00 0.00 36.82 35.64 1yuu h ILE 87 CO 0.00 0.20 -0.07 -0.09 -1.08 0.00 0.00 178.15 177.12 1yuu h ARG 88 N 1.11 -0.19 -1.93 2.19 1.12 -0.70 -3.35 114.38 112.63 1yuu h ARG 88 Ca 0.44 0.01 -0.29 0.00 -1.11 0.00 0.00 59.98 59.03 1yuu h ARG 88 Cb 0.25 0.04 -0.11 0.00 -0.01 0.00 0.00 29.97 30.14 1yuu h ARG 88 CO -0.20 0.21 0.05 1.17 -3.11 0.00 0.00 179.97 178.09 1yuu n LYS 89 N -4.88 1.99 -0.34 0.20 4.81 0.49 -4.82 118.16 115.60 1yuu n LYS 89 Ca -0.07 -1.43 -0.07 0.00 -0.87 0.00 0.00 58.31 55.88 1yuu n LYS 89 Cb 0.24 -1.87 -0.03 0.00 0.02 0.00 0.00 35.03 33.39 1yuu n LYS 89 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1yuu h LYS 90 N 2.53 -0.07 -0.24 1.64 1.79 -1.65 -3.22 116.57 117.34 1yuu h LYS 90 Ca 0.25 0.01 -0.26 0.00 -2.18 0.00 0.00 60.65 58.47 1yuu h LYS 90 Cb 1.09 0.02 -0.19 0.00 -1.58 0.00 0.00 32.23 31.56 1yuu h LYS 90 CO 0.50 -0.05 -0.53 1.63 -1.08 0.00 0.00 179.45 179.93 1yuu n LYS 91 N -5.38 1.12 -1.07 3.15 5.02 -1.26 -4.98 118.16 114.76 1yuu n LYS 91 Ca 0.05 -2.12 -0.32 0.00 -2.02 0.00 0.00 58.31 53.90 1yuu n LYS 91 Cb 0.34 -0.60 -0.02 0.00 -0.02 0.00 0.00 35.03 34.73 1yuu n LYS 91 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1yuu n ASP 92 N -0.18 6.30 -0.69 4.39 9.92 -1.22 -3.28 116.55 131.80 1yuu n ASP 92 Ca 0.03 -2.48 -0.03 0.00 -0.53 0.00 0.00 54.79 51.77 1yuu n ASP 92 Cb 0.79 -1.33 -0.03 0.00 -0.64 0.00 0.00 41.12 39.90 1yuu n ASP 92 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yuu n LEU 93 N 4.29 -0.47 0.00 0.64 -0.00 -1.26 -5.10 117.00 115.09 1yuu n LEU 93 Ca 0.60 -1.25 0.00 0.00 -0.00 0.00 0.00 56.01 55.36 1yuu n LEU 93 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.63 1yuu n LEU 93 CO 0.80 1.12 0.00 2.29 -0.00 0.00 0.00 177.39 181.61 1yuu n LYS 94 N 0.00 -1.18 0.00 1.47 2.85 -1.20 -5.14 118.16 114.96 1yuu n LYS 94 Ca -0.13 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.13 1yuu n LYS 94 Cb 0.52 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.90 1yuu n LYS 94 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 177.40 178.86 1yuu n ILE 95 N 1.25 0.00 0.02 0.58 3.06 -1.26 -4.66 119.36 118.35 1yuu n ILE 95 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1yuu n ILE 95 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1yuu n ILE 95 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1yuu n ARG 96 N 14.00 0.00 -2.55 9.51 1.74 -1.26 -5.01 116.66 133.08 1yuu n ARG 96 Ca 0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 1yuu n ARG 96 Cb 0.00 -0.12 -0.00 0.00 -1.02 0.00 0.00 32.46 31.31 1yuu n ARG 96 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1yuu n LYS 97 N -2.79 0.25 0.00 5.56 5.02 -1.26 -5.10 118.16 119.84 1yuu n LYS 97 Ca 0.00 -0.71 0.00 0.00 -2.02 0.00 0.00 58.31 55.58 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 1.17 -0.52 0.00 0.00 177.40 178.05