#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 0.21 0.00 3.04 0.00 -1.26 -5.09 121.76 118.66 1yuu s ALA 2 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.75 1yuu s ALA 2 Cb 0.00 1.03 0.00 0.00 0.00 0.00 0.00 23.12 24.15 1yuu s ALA 2 CO 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 175.76 174.91 1yuu n ALA 3 N -0.52 0.00 -2.33 0.00 0.00 -1.26 -5.09 120.51 111.32 1yuu n ALA 3 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 1yuu n ALA 3 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 1yuu n ALA 3 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1yuu s GLU 4 N -0.01 4.45 -0.73 0.00 2.56 -1.26 -4.95 118.70 118.75 1yuu s GLU 4 Ca 0.00 1.80 -0.26 0.00 0.00 0.00 0.00 54.97 56.51 1yuu s GLU 4 Cb 0.00 -3.32 -0.02 0.00 2.00 0.00 0.00 34.13 32.79 1yuu s GLU 4 CO 0.00 -0.22 1.77 -1.25 -0.56 0.00 0.00 175.26 175.00 1yuu s PRO 5 N 0.77 2.76 0.86 4.30 0.04 -1.26 -4.98 135.00 137.48 1yuu s PRO 5 Ca 0.58 0.14 -0.13 0.00 0.04 0.00 0.00 61.00 61.63 1yuu s PRO 5 Cb -0.30 -4.59 0.08 0.00 0.04 0.00 0.00 34.50 29.73 1yuu s PRO 5 CO 0.31 -2.77 0.99 1.28 0.04 0.00 0.00 177.00 176.84 1yuu n LEU 6 N 12.31 2.99 -4.82 -3.56 4.77 -1.26 -5.01 117.00 122.42 1yuu n LEU 6 Ca 0.24 0.50 -0.31 0.00 -0.03 0.00 0.00 56.01 56.40 1yuu n LEU 6 Cb 0.50 -1.42 0.05 0.00 -2.33 0.00 0.00 43.42 40.22 1yuu n LEU 6 CO 0.68 -2.29 0.71 0.28 -1.33 0.00 0.00 177.39 175.44 1yuu s THR 7 N -2.29 4.06 0.23 -5.08 -1.32 -1.26 -4.76 115.64 105.22 1yuu s THR 7 Ca 0.68 0.68 -0.07 0.00 -1.21 0.00 0.00 61.69 61.77 1yuu s THR 7 Cb -0.27 -3.43 0.19 0.00 -1.51 0.00 0.00 72.50 67.49 1yuu s THR 7 CO 0.56 -0.86 1.71 -0.08 -2.21 0.00 0.00 174.62 173.74 1yuu h GLU 8 N -0.65 0.30 0.46 7.08 4.81 -1.98 0.73 114.58 125.34 1yuu h GLU 8 Ca -0.44 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.75 1yuu h GLU 8 Cb 1.21 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1yuu h GLU 8 CO 0.57 0.20 -0.22 -0.07 -0.73 0.00 0.00 179.01 178.76 1yuu h LEU 9 N 0.31 -0.53 -0.34 1.64 3.38 -1.98 0.20 115.31 117.99 1yuu h LEU 9 Ca 0.36 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.33 1yuu h LEU 9 Cb 0.56 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.37 1yuu h LEU 9 CO -0.43 -0.21 -0.31 -0.33 0.09 0.00 0.00 178.44 177.25 1yuu h GLU 10 N -0.86 -0.26 0.03 1.13 5.08 -1.85 0.61 114.58 118.46 1yuu h GLU 10 Ca -0.06 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1yuu h GLU 10 Cb 0.57 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 1yuu h GLU 10 CO 0.10 -0.17 -0.53 1.49 -1.00 0.00 0.00 179.01 178.90 1yuu h GLU 11 N -0.27 -0.67 -0.69 2.33 4.57 -0.86 -0.83 114.58 118.16 1yuu h GLU 11 Ca 0.16 0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.44 1yuu h GLU 11 Cb 0.53 0.15 -0.06 0.00 -0.16 0.00 0.00 28.75 29.21 1yuu h GLU 11 CO -0.49 -0.45 0.39 0.66 -1.18 0.00 0.00 179.01 177.94 1yuu h SER 12 N -0.70 0.58 -0.41 1.04 4.64 0.31 0.16 113.55 119.18 1yuu h SER 12 Ca 0.01 0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.28 1yuu h SER 12 Cb 0.73 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 1yuu h SER 12 CO -0.34 0.37 -0.05 0.16 -0.87 0.00 0.00 176.83 176.10 1yuu h ILE 13 N 0.71 1.27 -0.00 0.95 -0.00 -0.69 0.01 117.51 119.75 1yuu h ILE 13 Ca 0.31 -1.10 -0.00 0.00 -0.00 0.00 0.00 64.86 64.07 1yuu h ILE 13 Cb 0.20 1.16 -0.00 0.00 -0.00 0.00 0.00 36.82 38.18 1yuu h ILE 13 CO -0.19 0.37 0.00 -0.08 -0.00 0.00 0.00 178.15 178.26 1yuu h GLU 14 N 0.57 0.01 -0.66 0.16 4.81 -0.32 0.44 114.58 119.59 1yuu h GLU 14 Ca 0.11 -0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.47 1yuu h GLU 14 Cb 0.55 -0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.80 1yuu h GLU 14 CO 0.03 0.06 -0.23 1.15 -0.73 0.00 0.00 179.01 179.29 1yuu h THR 15 N -0.05 0.26 -0.26 0.32 2.02 -0.48 0.19 112.91 114.91 1yuu h THR 15 Ca 0.00 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 66.99 1yuu h THR 15 Cb 0.05 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1yuu h THR 15 CO -0.00 0.00 -0.57 -0.37 0.37 0.00 0.00 175.52 174.95 1yuu h VAL 16 N -0.06 1.28 -0.78 3.16 -1.51 -0.82 -3.00 116.25 114.52 1yuu h VAL 16 Ca 0.30 -1.75 0.09 0.00 -1.23 0.00 0.00 66.70 64.11 1yuu h VAL 16 Cb 0.52 1.70 -0.07 0.00 -2.13 0.00 0.00 31.29 31.31 1yuu h VAL 16 CO -0.70 0.57 0.43 0.58 -1.23 0.00 0.00 177.57 177.21 1yuu h VAL 17 N 0.62 0.89 0.24 7.19 2.07 0.26 0.99 116.25 128.50 1yuu h VAL 17 Ca 0.00 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1yuu h VAL 17 Cb 1.18 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1yuu h VAL 17 CO 0.13 0.13 -0.12 0.00 0.02 0.00 0.00 177.57 177.73 1yuu h THR 18 N 0.72 0.80 -0.05 2.57 1.03 -0.63 0.20 112.91 117.54 1yuu h THR 18 Ca 0.38 -0.20 0.02 0.00 -0.01 0.00 0.00 66.41 66.60 1yuu h THR 18 Cb 0.36 0.92 -0.02 0.00 -1.07 0.00 0.00 68.15 68.33 1yuu h THR 18 CO -0.25 0.04 -0.06 0.74 -0.01 0.00 0.00 175.52 175.98 1yuu h THR 19 N -0.42 0.82 -0.59 0.00 2.02 -1.31 0.65 112.91 114.08 1yuu h THR 19 Ca -0.03 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.24 1yuu h THR 19 Cb 0.32 0.82 -0.11 0.00 -1.74 0.00 0.00 68.15 67.44 1yuu h THR 19 CO 0.05 0.00 -0.40 0.15 0.37 0.00 0.00 175.52 175.70 1yuu h PHE 20 N -0.09 -1.14 0.09 3.16 3.57 -0.78 -1.08 116.94 120.67 1yuu h PHE 20 Ca 0.04 0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1yuu h PHE 20 Cb 0.15 0.59 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1yuu h PHE 20 CO -0.16 -0.41 -0.11 0.35 -2.23 0.00 0.00 178.31 175.75 1yuu h PHE 21 N -0.20 -0.30 -0.92 0.41 3.57 0.25 0.26 116.94 120.01 1yuu h PHE 21 Ca 0.20 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.79 1yuu h PHE 21 Cb 0.56 0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.36 1yuu h PHE 21 CO -0.69 -0.18 0.60 1.79 -2.23 0.00 0.00 178.31 177.60 1yuu h THR 22 N -0.24 1.02 0.22 4.41 1.35 -0.48 0.15 112.91 119.34 1yuu h THR 22 Ca 0.01 -0.34 -0.01 0.00 -0.55 0.00 0.00 66.41 65.52 1yuu h THR 22 Cb 0.25 -0.06 0.00 0.00 -1.73 0.00 0.00 68.15 66.60 1yuu h THR 22 CO -0.05 0.18 -0.10 -0.26 -0.25 0.00 0.00 175.52 175.04 1yuu h PHE 23 N 1.00 -0.27 0.00 4.73 0.04 -0.73 -3.29 116.94 118.42 1yuu h PHE 23 Ca 0.41 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.18 1yuu h PHE 23 Cb 0.29 0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.53 1yuu h PHE 23 CO -0.00 0.02 0.00 0.00 -0.60 0.00 0.00 178.31 177.73 1yuu h ALA 24 N 0.16 1.00 -0.24 2.45 0.00 0.89 0.34 119.26 123.84 1yuu h ALA 24 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1yuu h ALA 24 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1yuu h ALA 24 CO 0.05 0.00 -0.08 -0.09 0.00 0.00 0.00 179.25 179.13 1yuu h ARG 25 N 0.00 0.39 0.00 0.00 9.65 -0.84 -3.31 114.38 120.26 1yuu h ARG 25 Ca 0.00 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1yuu h ARG 25 Cb 0.21 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 1yuu h ARG 25 CO 0.00 0.48 0.00 1.04 2.80 0.00 0.00 179.97 184.29 1yuu n GLN 26 N -4.27 0.00 -3.10 0.20 3.00 0.11 -4.71 117.38 108.61 1yuu n GLN 26 Ca 0.00 0.61 -0.19 0.00 -0.01 0.00 0.00 57.00 57.42 1yuu n GLN 26 Cb 0.26 -1.08 0.02 0.00 0.00 0.00 0.00 30.24 29.45 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 -1.57 2.60 0.16 -1.09 2.02 -1.26 -5.03 118.70 114.52 1yuu s GLU 27 Ca 0.00 -1.44 -0.18 0.00 0.02 0.00 0.00 54.97 53.37 1yuu s GLU 27 Cb 0.00 -2.66 -0.11 0.00 0.10 0.00 0.00 34.13 31.46 1yuu s GLU 27 CO 0.00 -0.49 0.29 0.41 0.02 0.00 0.00 175.26 175.50 1yuu n GLY 28 N -1.96 -1.30 2.34 -1.39 0.00 -1.26 -4.48 105.19 97.14 1yuu n GLY 28 Ca 0.10 0.18 -0.03 0.00 0.00 0.00 0.00 46.02 46.28 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 0.71 -4.46 -0.68 1.61 3.00 -1.26 -4.60 116.66 110.99 1yuu n ARG 29 Ca 0.11 3.34 -0.09 0.00 -0.01 0.00 0.00 57.85 61.20 1yuu n ARG 29 Cb 0.19 -4.49 -0.11 0.00 0.00 0.00 0.00 32.46 28.05 1yuu n ARG 29 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1yuu n LYS 30 N 1.60 1.40 0.00 5.56 2.85 -1.25 -2.55 118.16 125.78 1yuu n LYS 30 Ca -0.18 -0.72 0.00 0.00 -1.05 0.00 0.00 58.31 56.35 1yuu n LYS 30 Cb 0.28 -1.88 0.00 0.00 -0.65 0.00 0.00 35.03 32.79 1yuu n LYS 30 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1yuu n ASP 31 N 2.75 0.00 -4.71 -5.58 5.75 -1.25 -4.62 116.55 108.90 1yuu n ASP 31 Ca 0.30 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.66 1yuu n ASP 31 Cb 0.59 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.65 1yuu n ASP 31 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1yuu s SER 32 N -0.54 7.28 0.44 -1.12 0.01 -1.06 -4.05 113.70 114.66 1yuu s SER 32 Ca 0.00 1.78 -0.14 0.00 1.31 0.00 0.00 55.95 58.90 1yuu s SER 32 Cb 0.00 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.58 1yuu s SER 32 CO 0.00 -0.32 0.86 -0.76 0.41 0.00 0.00 173.24 173.42 1yuu s LEU 33 N 1.01 3.77 0.39 2.44 2.01 -0.33 -4.65 118.68 123.33 1yuu s LEU 33 Ca 0.54 1.33 0.06 0.00 0.01 0.00 0.00 54.13 56.07 1yuu s LEU 33 Cb -0.24 -4.23 -0.07 0.00 0.01 0.00 0.00 46.19 41.66 1yuu s LEU 33 CO 0.28 -0.46 0.03 -0.44 1.01 0.00 0.00 176.35 176.77 1yuu s SER 34 N -3.02 3.46 0.18 2.29 0.01 -1.26 -0.31 113.70 115.05 1yuu s SER 34 Ca 0.55 -1.40 -0.18 0.00 1.31 0.00 0.00 55.95 56.22 1yuu s SER 34 Cb -0.10 -0.22 0.13 0.00 0.21 0.00 0.00 66.02 66.04 1yuu s SER 34 CO 0.30 -0.54 1.62 1.62 0.41 0.00 0.00 173.24 176.65 1yuu h VAL 35 N 1.83 0.34 0.68 3.43 3.04 -1.99 0.14 116.25 123.71 1yuu h VAL 35 Ca -0.43 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.23 1yuu h VAL 35 Cb 1.25 0.34 0.01 0.00 -2.01 0.00 0.00 31.29 30.87 1yuu h VAL 35 CO 0.77 0.00 -0.33 -1.13 -1.01 0.00 0.00 177.57 175.87 1yuu h ASN 36 N -0.12 -0.77 -0.92 3.17 -1.24 -1.98 0.42 115.58 114.13 1yuu h ASN 36 Ca 0.23 -0.01 0.17 0.00 0.71 0.00 0.00 56.30 57.40 1yuu h ASN 36 Cb 0.48 0.20 -0.17 0.00 0.73 0.00 0.00 38.32 39.56 1yuu h ASN 36 CO -0.56 -0.47 -0.27 1.21 -1.29 0.00 0.00 177.43 176.06 1yuu n GLU 37 N -5.43 -0.12 -0.01 6.67 2.13 -0.85 0.34 120.64 123.37 1yuu n GLU 37 Ca -0.13 1.44 -0.11 0.00 0.66 0.00 0.00 57.16 59.01 1yuu n GLU 37 Cb 0.38 -2.14 -0.06 0.00 0.27 0.00 0.00 31.44 29.89 1yuu n GLU 37 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1yuu h PHE 38 N 0.00 0.12 -0.97 4.31 3.04 -0.51 -2.66 116.94 120.27 1yuu h PHE 38 Ca 0.41 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.37 1yuu h PHE 38 Cb 0.64 -0.04 -0.05 0.00 2.56 0.00 0.00 35.95 39.06 1yuu h PHE 38 CO -0.74 0.16 0.64 -0.22 -2.02 0.00 0.00 178.31 176.14 1yuu h LYS 39 N 0.04 1.27 -0.73 1.11 3.64 0.21 0.91 116.57 123.03 1yuu h LYS 39 Ca 0.03 -0.08 0.11 0.00 -1.27 0.00 0.00 60.65 59.44 1yuu h LYS 39 Cb 0.08 -0.29 -0.08 0.00 -0.41 0.00 0.00 32.23 31.54 1yuu h LYS 39 CO -0.00 0.84 0.34 0.93 -2.27 0.00 0.00 179.45 179.29 1yuu h GLU 40 N 1.31 0.54 -0.03 1.90 4.39 -0.84 0.38 114.58 122.23 1yuu h GLU 40 Ca 0.36 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.02 1yuu h GLU 40 Cb -0.15 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.38 1yuu h GLU 40 CO -0.08 0.36 0.01 1.25 -1.16 0.00 0.00 179.01 179.39 1yuu h LEU 41 N 0.56 0.04 0.12 1.33 6.46 -0.50 0.13 115.31 123.46 1yuu h LEU 41 Ca 0.37 -0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.97 1yuu h LEU 41 Cb 0.45 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1yuu h LEU 41 CO -0.31 0.19 -0.06 -0.37 -0.62 0.00 0.00 178.44 177.27 1yuu h VAL 42 N -0.10 1.06 -0.26 1.05 -1.51 -1.11 -0.17 116.25 115.21 1yuu h VAL 42 Ca 0.01 -0.92 0.06 0.00 -1.23 0.00 0.00 66.70 64.62 1yuu h VAL 42 Cb 0.16 1.62 -0.06 0.00 -2.13 0.00 0.00 31.29 30.87 1yuu h VAL 42 CO -0.00 0.21 -0.16 0.74 -1.23 0.00 0.00 177.57 177.13 1yuu h THR 43 N -0.61 0.54 0.03 7.19 2.02 -0.89 -0.20 112.91 120.99 1yuu h THR 43 Ca -0.02 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 1yuu h THR 43 Cb 0.48 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1yuu h THR 43 CO 0.03 0.00 -0.02 -0.61 0.37 0.00 0.00 175.52 175.29 1yuu h GLN 44 N -0.14 -0.04 0.00 6.66 4.15 -0.75 -3.40 115.11 121.59 1yuu h GLN 44 Ca 0.14 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.35 1yuu h GLN 44 Cb 0.35 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.01 1yuu h GLN 44 CO -0.34 0.54 -1.84 0.94 -1.93 0.00 0.00 178.83 176.20 1yuu n GLN 45 N -4.82 0.65 -3.58 1.69 -0.06 -0.08 -4.72 117.38 106.46 1yuu n GLN 45 Ca -0.09 0.10 -0.40 0.00 -2.00 0.00 0.00 57.00 54.61 1yuu n GLN 45 Cb 0.30 -1.67 -0.08 0.00 -4.06 0.00 0.00 30.24 24.73 1yuu n GLN 45 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1yuu s LEU 46 N -5.53 5.73 0.05 1.69 1.02 -0.10 -4.95 118.68 116.59 1yuu s LEU 46 Ca -0.06 -2.52 -0.18 0.00 0.02 0.00 0.00 54.13 51.38 1yuu s LEU 46 Cb 0.09 -1.98 -0.16 0.00 0.02 0.00 0.00 46.19 44.16 1yuu s LEU 46 CO 0.83 -0.51 1.28 1.55 0.02 0.00 0.00 176.35 179.51 1yuu h PRO 47 N 7.64 0.49 -0.32 1.29 0.13 -1.84 -3.41 132.00 135.98 1yuu h PRO 47 Ca -0.04 -0.34 -0.24 0.00 -0.87 0.00 0.00 66.00 64.51 1yuu h PRO 47 Cb 1.01 0.05 -0.27 0.00 0.13 0.00 0.00 31.00 31.93 1yuu h PRO 47 CO 0.76 0.95 -0.70 1.58 -0.23 0.00 0.00 178.00 180.36 1yuu n HIS 48 N -4.34 -0.63 0.00 1.56 -0.00 -1.26 -4.93 115.22 105.62 1yuu n HIS 48 Ca -0.07 -2.09 0.00 0.00 -0.00 0.00 0.00 57.72 55.56 1yuu n HIS 48 Cb 0.51 0.71 0.00 0.00 -0.00 0.00 0.00 29.99 31.21 1yuu n HIS 48 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1yuu n LEU 49 N -0.78 0.61 -4.57 0.27 7.94 -1.26 -4.74 117.00 114.47 1yuu n LEU 49 Ca -0.02 0.00 -0.36 0.00 -1.11 0.00 0.00 56.01 54.52 1yuu n LEU 49 Cb 0.84 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.76 1yuu n LEU 49 CO 0.01 0.00 1.63 -0.76 -1.11 0.00 0.00 177.39 177.16 1yuu s LEU 50 N -2.30 3.45 0.34 -1.96 1.43 -1.26 -4.97 118.68 113.40 1yuu s LEU 50 Ca 0.00 -1.71 -0.25 0.00 -1.03 0.00 0.00 54.13 51.15 1yuu s LEU 50 Cb 0.00 -2.58 -0.15 0.00 0.03 0.00 0.00 46.19 43.50 1yuu s LEU 50 CO 0.00 -1.99 0.52 2.29 0.23 0.00 0.00 176.35 177.40 1yuu n LYS 51 N 8.57 0.43 -3.11 1.70 -0.00 -1.26 -2.92 118.16 121.58 1yuu n LYS 51 Ca 0.43 0.16 -0.15 0.00 -0.00 0.00 0.00 58.31 58.74 1yuu n LYS 51 Cb 0.48 -1.33 0.05 0.00 -0.00 0.00 0.00 35.03 34.22 1yuu n LYS 51 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1yuu n ASP 52 N 1.66 -4.71 0.01 -5.58 8.00 -1.26 -4.91 116.55 109.76 1yuu n ASP 52 Ca 0.13 -0.31 0.23 0.00 0.71 0.00 0.00 54.79 55.54 1yuu n ASP 52 Cb 0.35 -3.35 0.68 0.00 -0.02 0.00 0.00 41.12 38.78 1yuu n ASP 52 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1yuu h VAL 53 N -1.56 0.27 -0.85 2.53 3.04 -1.94 0.17 116.25 117.92 1yuu h VAL 53 Ca -0.35 0.00 0.21 0.00 -1.01 0.00 0.00 66.70 65.54 1yuu h VAL 53 Cb 1.23 0.49 -0.13 0.00 -2.01 0.00 0.00 31.29 30.88 1yuu h VAL 53 CO 0.35 0.00 0.29 1.23 -1.01 0.00 0.00 177.57 178.43 1yuu h GLY 54 N 0.00 1.34 -3.85 3.17 0.00 -1.90 -1.93 103.07 99.90 1yuu h GLY 54 Ca 0.27 -0.09 -0.08 0.00 0.00 0.00 0.00 47.33 47.43 1yuu h GLY 54 CO -0.00 -0.28 -0.09 -1.26 0.00 0.00 0.00 176.54 174.91 1yuu n SER 55 N -5.13 3.87 0.01 0.19 2.88 0.58 -4.37 113.62 111.65 1yuu n SER 55 Ca 0.20 -2.14 -0.13 0.00 -1.33 0.00 0.00 58.87 55.47 1yuu n SER 55 Cb 0.61 -0.95 -0.09 0.00 -0.75 0.00 0.00 64.21 63.03 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 4.42 0.01 -1.19 2.46 7.12 -1.56 -3.33 115.31 123.24 1yuu h LEU 56 Ca 0.08 -0.30 0.18 0.00 0.13 0.00 0.00 57.88 57.97 1yuu h LEU 56 Cb 0.95 -0.00 -0.09 0.00 -0.53 0.00 0.00 40.66 40.99 1yuu h LEU 56 CO 0.17 0.31 0.61 0.44 -0.13 0.00 0.00 178.44 179.84 1yuu h ASP 57 N -0.29 0.68 0.06 1.25 5.19 -1.88 0.63 116.42 122.06 1yuu h ASP 57 Ca 0.00 0.07 0.02 0.00 -0.62 0.00 0.00 57.03 56.50 1yuu h ASP 57 Cb 0.30 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.72 1yuu h ASP 57 CO 0.00 0.27 -0.23 -0.08 -3.12 0.00 0.00 179.24 176.09 1yuu h GLU 58 N 0.68 -0.38 -0.41 3.56 4.81 -1.93 -0.72 114.58 120.18 1yuu h GLU 58 Ca 0.52 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.79 1yuu h GLU 58 Cb 0.92 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 1yuu h GLU 58 CO -0.29 -0.25 0.26 0.87 -0.73 0.00 0.00 179.01 178.87 1yuu h LYS 59 N -0.39 0.51 -0.69 1.92 6.56 -0.02 -0.01 116.57 124.45 1yuu h LYS 59 Ca 0.04 -0.03 0.13 0.00 -1.06 0.00 0.00 60.65 59.73 1yuu h LYS 59 Cb 0.44 -0.11 -0.13 0.00 -0.57 0.00 0.00 32.23 31.86 1yuu h LYS 59 CO -0.16 0.34 -0.29 1.98 -2.06 0.00 0.00 179.45 179.25 1yuu h MET 60 N 0.52 -0.09 -0.44 3.15 4.05 -0.22 0.16 114.93 122.07 1yuu h MET 60 Ca 0.16 0.01 -0.14 0.00 -0.28 0.00 0.00 59.70 59.44 1yuu h MET 60 Cb -0.02 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 1yuu h MET 60 CO -0.06 -0.06 -0.28 0.87 0.23 0.00 0.00 176.91 177.61 1yuu h LYS 61 N -0.09 0.97 -0.13 0.39 1.57 -0.84 0.14 116.57 118.58 1yuu h LYS 61 Ca 0.29 -0.45 0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1yuu h LYS 61 Cb 0.56 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1yuu h LYS 61 CO -0.74 1.12 0.09 1.03 -0.57 0.00 0.00 179.45 180.38 1yuu h SER 62 N 0.82 0.00 0.07 0.86 0.87 0.11 -2.82 113.55 113.47 1yuu h SER 62 Ca 0.09 -0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.38 1yuu h SER 62 Cb 0.87 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.81 1yuu h SER 62 CO 0.08 0.00 -1.47 -0.07 -0.53 0.00 0.00 176.83 174.84 1yuu h LEU 63 N 0.00 0.24 -5.37 2.23 4.07 -0.55 -3.40 115.31 112.53 1yuu h LEU 63 Ca 0.06 -0.76 -0.53 0.00 0.08 0.00 0.00 57.88 56.73 1yuu h LEU 63 Cb 0.24 -0.08 0.02 0.00 1.08 0.00 0.00 40.66 41.93 1yuu h LEU 63 CO -0.00 1.62 3.12 -0.67 -1.08 0.00 0.00 178.44 181.43 1yuu n ASP 64 N -4.02 6.24 -0.04 -0.43 2.03 0.45 -4.71 116.55 116.08 1yuu n ASP 64 Ca -0.29 -2.47 0.07 0.00 0.52 0.00 0.00 54.79 52.61 1yuu n ASP 64 Cb 0.85 -1.32 0.44 0.00 -0.72 0.00 0.00 41.12 40.37 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 3.37 1.03 -0.00 5.18 -1.51 -1.79 0.14 116.25 122.67 1yuu h VAL 65 Ca 0.65 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.94 1yuu h VAL 65 Cb 0.27 0.46 0.00 0.00 -2.13 0.00 0.00 31.29 29.89 1yuu h VAL 65 CO 1.64 0.10 -0.12 -0.46 -1.23 0.00 0.00 177.57 177.50 1yuu n ASN 66 N -4.47 0.18 -3.48 4.19 6.94 -1.26 -4.99 115.26 112.37 1yuu n ASN 66 Ca 0.06 0.07 -0.18 0.00 -0.02 0.00 0.00 54.58 54.51 1yuu n ASN 66 Cb 0.17 -0.25 0.02 0.00 -2.36 0.00 0.00 39.78 37.36 1yuu n ASN 66 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 1yuu n GLN 67 N -1.37 -1.39 0.00 -3.83 -0.06 0.50 -4.96 117.38 106.27 1yuu n GLN 67 Ca 0.09 0.93 0.04 0.00 -2.00 0.00 0.00 57.00 56.06 1yuu n GLN 67 Cb 0.31 -4.20 -0.00 0.00 -4.06 0.00 0.00 30.24 22.29 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 -2.36 1.01 -0.76 1.69 5.68 -1.26 -5.00 116.55 115.56 1yuu n ASP 68 Ca -0.13 -1.01 -0.10 0.00 -0.50 0.00 0.00 54.79 53.06 1yuu n ASP 68 Cb 0.59 0.50 -0.04 0.00 -1.14 0.00 0.00 41.12 41.03 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 -5.40 -4.22 -1.12 7.64 -1.26 -4.97 113.62 103.94 1yuu n SER 69 Ca 0.03 0.24 -0.36 0.00 1.01 0.00 0.00 58.87 59.79 1yuu n SER 69 Cb 0.16 -3.77 -0.13 0.00 -1.01 0.00 0.00 64.21 59.46 1yuu n SER 69 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1yuu s GLU 70 N -2.72 2.51 -1.26 1.43 2.02 -1.26 -4.35 118.70 115.07 1yuu s GLU 70 Ca 0.00 -1.24 -0.12 0.00 0.02 0.00 0.00 54.97 53.63 1yuu s GLU 70 Cb 0.00 -3.33 0.16 0.00 0.10 0.00 0.00 34.13 31.05 1yuu s GLU 70 CO 0.00 -0.66 1.71 1.28 0.02 0.00 0.00 175.26 177.61 1yuu n LEU 71 N 4.72 5.96 -4.78 1.80 7.99 0.58 -4.92 117.00 128.35 1yuu n LEU 71 Ca -0.12 -4.49 -0.31 0.00 -0.01 0.00 0.00 56.01 51.07 1yuu n LEU 71 Cb 0.44 -1.57 0.08 0.00 -0.11 0.00 0.00 43.42 42.27 1yuu n LEU 71 CO 0.29 1.01 0.70 -1.59 -1.51 0.00 0.00 177.39 176.30 1yuu s LYS 72 N 1.29 2.38 0.18 3.23 0.00 -1.26 -1.18 119.74 124.37 1yuu s LYS 72 Ca 0.42 1.14 -0.19 0.00 0.00 0.00 0.00 55.97 57.34 1yuu s LYS 72 Cb 0.04 -1.91 0.13 0.00 0.00 0.00 0.00 37.83 36.09 1yuu s LYS 72 CO 0.00 -1.55 1.36 1.97 0.00 0.00 0.00 175.35 177.14 1yuu n PHE 73 N -3.44 -0.10 -0.21 1.78 -1.74 -1.26 -0.52 117.46 111.97 1yuu n PHE 73 Ca 0.09 1.09 -0.09 0.00 -0.56 0.00 0.00 57.45 57.98 1yuu n PHE 73 Cb 0.53 -0.75 0.02 0.00 1.52 0.00 0.00 39.48 40.81 1yuu n PHE 73 CO 0.00 0.00 0.00 -0.97 -0.56 0.00 0.00 176.76 175.23 1yuu h ASN 74 N 0.00 1.04 0.02 5.98 -0.00 -1.95 0.13 115.58 120.79 1yuu h ASN 74 Ca 0.25 -0.30 -0.17 0.00 -0.00 0.00 0.00 56.30 56.09 1yuu h ASN 74 Cb 0.47 -0.28 0.01 0.00 -0.00 0.00 0.00 38.32 38.53 1yuu h ASN 74 CO -0.86 1.09 -0.66 1.05 -0.00 0.00 0.00 177.43 178.04 1yuu h GLU 75 N 0.96 0.41 -0.77 6.67 4.11 -1.13 -3.01 114.58 121.83 1yuu h GLU 75 Ca 0.17 -0.47 0.15 0.00 0.07 0.00 0.00 59.36 59.28 1yuu h GLU 75 Cb 0.55 0.14 -0.15 0.00 0.50 0.00 0.00 28.75 29.79 1yuu h GLU 75 CO 0.03 1.14 -0.20 -0.92 0.07 0.00 0.00 179.01 179.13 1yuu h TYR 76 N -0.11 -0.43 -1.27 2.06 3.20 -0.90 0.07 116.97 119.59 1yuu h TYR 76 Ca -0.09 0.07 0.37 0.00 3.14 0.00 0.00 58.73 62.22 1yuu h TYR 76 Cb 1.39 0.31 -0.07 0.00 1.54 0.00 0.00 36.73 39.90 1yuu h TYR 76 CO 0.15 -0.33 0.88 2.35 -1.64 0.00 0.00 178.16 179.57 1yuu h TRP 77 N -0.01 0.22 -0.93 -3.82 2.91 -0.60 0.29 115.95 114.01 1yuu h TRP 77 Ca 0.37 0.01 0.21 0.00 1.13 0.00 0.00 58.89 60.60 1yuu h TRP 77 Cb 0.56 -0.06 -0.18 0.00 -0.51 0.00 0.00 29.16 28.98 1yuu h TRP 77 CO -0.62 -0.01 -0.17 0.54 -1.03 0.00 0.00 178.44 177.15 1yuu n ARG 78 N -4.32 -0.08 -0.25 2.65 5.12 0.01 -0.31 116.66 119.48 1yuu n ARG 78 Ca 0.29 1.44 0.06 0.00 -1.93 0.00 0.00 57.85 57.72 1yuu n ARG 78 Cb 1.29 -2.19 0.18 0.00 -1.16 0.00 0.00 32.46 30.58 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 -0.06 -1.55 0.55 5.85 -1.11 -0.28 115.31 118.71 1yuu h LEU 79 Ca 0.48 0.16 -0.03 0.00 0.84 0.00 0.00 57.88 59.33 1yuu h LEU 79 Cb 0.81 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1yuu h LEU 79 CO -0.94 -0.08 -0.06 0.40 -0.34 0.00 0.00 178.44 177.42 1yuu h ILE 80 N 0.23 1.14 -0.22 4.05 2.04 -0.84 0.27 117.51 124.17 1yuu h ILE 80 Ca 0.42 -0.56 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 1yuu h ILE 80 Cb 0.74 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1yuu h ILE 80 CO -0.55 0.18 -0.08 1.23 0.00 0.00 0.00 178.15 178.93 1yuu h GLY 81 N 0.58 0.47 0.59 5.37 0.00 -1.08 -0.76 103.07 108.24 1yuu h GLY 81 Ca 0.05 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1yuu h GLY 81 CO 0.01 0.38 -0.03 0.83 0.00 0.00 0.00 176.54 177.72 1yuu h GLU 82 N 0.15 0.09 -0.88 4.80 4.39 -0.59 0.21 114.58 122.75 1yuu h GLU 82 Ca 0.05 -0.05 0.09 0.00 0.34 0.00 0.00 59.36 59.79 1yuu h GLU 82 Cb 0.56 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.09 1yuu h GLU 82 CO 0.03 0.53 -0.55 -0.07 -1.16 0.00 0.00 179.01 177.79 1yuu h LEU 83 N -0.34 -2.00 -1.93 1.33 3.38 -0.56 0.49 115.31 115.68 1yuu h LEU 83 Ca 0.01 0.31 0.10 0.00 0.09 0.00 0.00 57.88 58.39 1yuu h LEU 83 Cb 0.51 0.89 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 1yuu h LEU 83 CO 0.01 -0.27 0.29 0.00 0.09 0.00 0.00 178.44 178.56 1yuu h ALA 84 N 0.52 2.28 0.35 1.53 0.00 -0.64 0.15 119.26 123.45 1yuu h ALA 84 Ca 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1yuu h ALA 84 Cb 0.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1yuu h ALA 84 CO -0.88 -0.39 -0.17 -0.22 0.00 0.00 0.00 179.25 177.60 1yuu h LYS 85 N 0.08 -0.45 -0.59 0.00 1.63 0.26 -3.33 116.57 114.18 1yuu h LYS 85 Ca 0.19 0.03 0.12 0.00 -0.85 0.00 0.00 60.65 60.14 1yuu h LYS 85 Cb 0.66 0.10 -0.10 0.00 -0.60 0.00 0.00 32.23 32.30 1yuu h LYS 85 CO -0.02 -0.15 0.02 0.93 -3.45 0.00 0.00 179.45 176.78 1yuu h GLU 86 N -1.00 0.13 0.00 1.90 4.39 0.10 0.42 114.58 120.53 1yuu h GLU 86 Ca -0.05 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1yuu h GLU 86 Cb 0.50 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1yuu h GLU 86 CO 0.08 0.09 -0.01 0.97 -1.16 0.00 0.00 179.01 178.98 1yuu h ILE 87 N 0.14 0.13 0.00 3.13 2.10 -1.18 -0.41 117.51 121.42 1yuu h ILE 87 Ca 0.31 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 66.14 1yuu h ILE 87 Cb 0.48 1.09 0.00 0.00 -1.09 0.00 0.00 36.82 37.30 1yuu h ILE 87 CO -0.49 0.01 -0.81 -1.14 -1.08 0.00 0.00 178.15 174.65 1yuu n ARG 88 N -3.25 0.49 0.00 2.19 0.63 0.74 -4.50 116.66 112.96 1yuu n ARG 88 Ca -0.02 0.31 0.02 0.00 -0.92 0.00 0.00 57.85 57.24 1yuu n ARG 88 Cb 0.11 -1.48 0.15 0.00 0.45 0.00 0.00 32.46 31.69 1yuu n ARG 88 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1yuu n LYS 89 N -4.43 0.54 -0.07 -0.14 2.85 0.11 -4.50 118.16 112.52 1yuu n LYS 89 Ca -0.11 0.00 0.25 0.00 -1.05 0.00 0.00 58.31 57.40 1yuu n LYS 89 Cb 0.42 -1.14 0.71 0.00 -0.65 0.00 0.00 35.03 34.37 1yuu n LYS 89 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1yuu h LYS 90 N 0.00 0.00 0.00 -1.58 3.64 -1.27 -3.36 116.57 114.00 1yuu h LYS 90 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1yuu h LYS 90 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1yuu h LYS 90 CO 0.00 0.00 0.00 1.17 -2.27 0.00 0.00 179.45 178.35 1yuu n LYS 91 N -3.88 0.00 -3.31 1.90 4.81 -1.26 -5.08 118.16 111.33 1yuu n LYS 91 Ca 0.14 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.58 1yuu n LYS 91 Cb 0.89 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.94 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 -0.99 -0.06 0.00 3.14 2.03 -1.26 -4.70 116.55 114.71 1yuu n ASP 92 Ca 0.00 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1yuu n ASP 92 Cb 0.00 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 1yuu n ASP 92 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yuu n LEU 93 N -0.83 0.88 -4.58 -2.67 -0.00 -1.26 -4.75 117.00 103.80 1yuu n LEU 93 Ca -0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.81 1yuu n LEU 93 Cb 0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.34 1yuu n LEU 93 CO 0.01 0.04 1.26 -0.54 -0.00 0.00 0.00 177.39 178.17 1yuu s LYS 94 N -1.75 1.75 0.65 1.47 1.02 -1.26 -4.90 119.74 116.73 1yuu s LYS 94 Ca 0.00 -0.63 -0.17 0.00 0.02 0.00 0.00 55.97 55.19 1yuu s LYS 94 Cb 0.00 -5.07 -0.08 0.00 -0.52 0.00 0.00 37.83 32.16 1yuu s LYS 94 CO 0.00 -4.77 0.34 1.51 -0.92 0.00 0.00 175.35 171.51 1yuu n ILE 95 N 8.51 1.56 -4.23 2.17 0.13 -1.26 -4.89 119.36 121.35 1yuu n ILE 95 Ca 0.43 -0.45 0.00 0.00 -1.10 0.00 0.00 62.75 61.62 1yuu n ILE 95 Cb 0.46 -0.56 0.00 0.00 -0.84 0.00 0.00 39.64 38.71 1yuu n ILE 95 CO 0.00 0.00 0.00 -2.11 2.80 0.00 0.00 176.55 177.24 1yuu n ARG 96 N 0.05 0.00 -2.66 9.51 1.85 -1.26 -4.89 116.66 119.25 1yuu n ARG 96 Ca 0.10 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.90 1yuu n ARG 96 Cb 0.49 0.00 0.08 0.00 -1.05 0.00 0.00 32.46 31.98 1yuu n ARG 96 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1yuu n LYS 97 N -0.04 0.09 -0.67 2.89 4.81 -1.26 -4.98 118.16 118.99 1yuu n LYS 97 Ca 0.00 -0.64 0.00 0.00 -0.87 0.00 0.00 58.31 56.80 1yuu n LYS 97 Cb 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 35.03 34.89 1yuu n LYS 97 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20