#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 0.49 0.00 3.04 0.00 -1.26 -5.04 121.76 118.99 1yuu s ALA 2 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.65 1yuu s ALA 2 Cb 0.00 1.22 0.00 0.00 0.00 0.00 0.00 23.12 24.34 1yuu s ALA 2 CO 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 175.76 175.03 1yuu n ALA 3 N -0.35 0.00 -1.83 0.00 0.00 -1.26 -5.07 120.51 111.99 1yuu n ALA 3 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 1yuu n ALA 3 Cb 0.64 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.06 1yuu n ALA 3 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1yuu s GLU 4 N -1.79 4.19 -0.45 0.00 8.01 -1.26 -4.89 118.70 122.51 1yuu s GLU 4 Ca 0.00 2.45 -0.28 0.00 0.01 0.00 0.00 54.97 57.15 1yuu s GLU 4 Cb 0.00 -3.09 -0.01 0.00 -4.31 0.00 0.00 34.13 26.73 1yuu s GLU 4 CO 0.00 -0.58 1.64 -1.25 0.01 0.00 0.00 175.26 175.09 1yuu s PRO 5 N 0.14 3.24 0.90 0.39 0.04 -1.26 -5.00 135.00 133.46 1yuu s PRO 5 Ca 0.65 0.96 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 1yuu s PRO 5 Cb -0.45 -4.18 0.13 0.00 0.04 0.00 0.00 34.50 30.04 1yuu s PRO 5 CO 0.40 -1.98 1.10 -0.51 0.04 0.00 0.00 177.00 176.05 1yuu s LEU 6 N 6.83 2.47 0.89 -3.56 1.43 -1.26 -5.04 118.68 120.43 1yuu s LEU 6 Ca 0.68 1.78 -0.12 0.00 -1.03 0.00 0.00 54.13 55.43 1yuu s LEU 6 Cb -0.16 -4.20 0.12 0.00 0.03 0.00 0.00 46.19 41.98 1yuu s LEU 6 CO 0.29 -2.78 1.15 0.28 0.23 0.00 0.00 176.35 175.52 1yuu s THR 7 N -2.79 2.00 0.09 5.49 -1.32 -1.26 -4.72 115.64 113.12 1yuu s THR 7 Ca 0.64 0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 60.89 1yuu s THR 7 Cb -0.20 -2.82 -0.14 0.00 -1.51 0.00 0.00 72.50 67.84 1yuu s THR 7 CO 0.58 0.00 1.73 -0.08 -2.21 0.00 0.00 174.62 174.64 1yuu h GLU 8 N -1.39 -0.03 0.31 7.08 4.81 -1.98 0.14 114.58 123.52 1yuu h GLU 8 Ca -0.49 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 1yuu h GLU 8 Cb 1.33 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1yuu h GLU 8 CO 0.63 -0.02 -0.15 -0.07 -0.73 0.00 0.00 179.01 178.67 1yuu h LEU 9 N -0.03 -0.35 -0.42 1.64 3.38 -1.98 0.28 115.31 117.82 1yuu h LEU 9 Ca 0.01 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.00 1yuu h LEU 9 Cb 0.04 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.78 1yuu h LEU 9 CO -0.02 -0.16 -0.38 -0.33 0.09 0.00 0.00 178.44 177.64 1yuu h GLU 10 N -0.52 -0.27 -0.02 1.13 5.08 -1.86 0.14 114.58 118.26 1yuu h GLU 10 Ca -0.04 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1yuu h GLU 10 Cb 0.39 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 1yuu h GLU 10 CO 0.07 -0.18 -0.53 1.49 -1.00 0.00 0.00 179.01 178.85 1yuu h GLU 11 N -0.28 -0.63 -0.97 2.33 4.57 -0.72 0.13 114.58 119.01 1yuu h GLU 11 Ca 0.16 0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.45 1yuu h GLU 11 Cb 0.57 0.14 -0.07 0.00 -0.16 0.00 0.00 28.75 29.23 1yuu h GLU 11 CO -0.57 -0.42 0.62 0.66 -1.18 0.00 0.00 179.01 178.11 1yuu h SER 12 N -0.65 0.98 -0.31 1.04 4.64 0.30 0.14 113.55 119.68 1yuu h SER 12 Ca 0.01 0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.23 1yuu h SER 12 Cb 0.71 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1yuu h SER 12 CO -0.37 0.62 -0.29 0.16 -0.87 0.00 0.00 176.83 176.08 1yuu h ILE 13 N 1.11 1.29 -0.29 0.95 -0.00 -0.52 -2.69 117.51 117.37 1yuu h ILE 13 Ca 0.42 -1.45 0.02 0.00 -0.00 0.00 0.00 64.86 63.85 1yuu h ILE 13 Cb 0.19 1.52 -0.02 0.00 -0.00 0.00 0.00 36.82 38.51 1yuu h ILE 13 CO -0.18 0.47 0.14 -0.08 -0.00 0.00 0.00 178.15 178.50 1yuu h GLU 14 N 0.51 0.29 -0.83 0.16 4.81 0.50 0.15 114.58 120.17 1yuu h GLU 14 Ca 0.05 -0.02 0.21 0.00 -0.13 0.00 0.00 59.36 59.47 1yuu h GLU 14 Cb 0.86 -0.07 -0.14 0.00 0.63 0.00 0.00 28.75 30.03 1yuu h GLU 14 CO 0.07 0.19 0.14 1.15 -0.73 0.00 0.00 179.01 179.84 1yuu h THR 15 N 0.30 0.33 0.15 0.32 2.02 -0.71 0.22 112.91 115.55 1yuu h THR 15 Ca 0.12 -0.06 -0.28 0.00 0.77 0.00 0.00 66.41 66.96 1yuu h THR 15 Cb 0.04 0.14 0.01 0.00 -1.74 0.00 0.00 68.15 66.60 1yuu h THR 15 CO -0.08 0.03 -1.27 -0.37 0.37 0.00 0.00 175.52 174.19 1yuu h VAL 16 N 0.17 1.46 -0.62 3.16 -1.51 -1.06 -3.06 116.25 114.81 1yuu h VAL 16 Ca 0.49 -2.99 0.03 0.00 -1.23 0.00 0.00 66.70 63.00 1yuu h VAL 16 Cb 0.94 2.95 -0.04 0.00 -2.13 0.00 0.00 31.29 33.01 1yuu h VAL 16 CO -0.65 0.88 0.37 0.58 -1.23 0.00 0.00 177.57 177.52 1yuu h VAL 17 N 0.09 1.06 -0.28 7.19 2.07 0.57 0.17 116.25 127.12 1yuu h VAL 17 Ca -0.15 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1yuu h VAL 17 Cb 2.00 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1yuu h VAL 17 CO 0.22 0.13 0.12 0.00 0.02 0.00 0.00 177.57 178.06 1yuu h THR 18 N 0.73 1.17 -0.08 2.57 1.03 -0.70 0.25 112.91 117.87 1yuu h THR 18 Ca 0.25 -0.52 0.01 0.00 -0.01 0.00 0.00 66.41 66.14 1yuu h THR 18 Cb 0.04 0.98 -0.01 0.00 -1.07 0.00 0.00 68.15 68.09 1yuu h THR 18 CO -0.11 0.18 0.03 0.74 -0.01 0.00 0.00 175.52 176.34 1yuu h THR 19 N 0.31 0.98 -0.59 0.00 2.02 -1.35 -0.13 112.91 114.16 1yuu h THR 19 Ca 0.10 -0.02 0.11 0.00 0.77 0.00 0.00 66.41 67.37 1yuu h THR 19 Cb 0.17 0.90 -0.12 0.00 -1.74 0.00 0.00 68.15 67.37 1yuu h THR 19 CO -0.01 0.01 -0.25 0.15 0.37 0.00 0.00 175.52 175.80 1yuu h PHE 20 N 0.07 -0.63 -0.10 3.16 3.57 -0.56 -0.76 116.94 121.70 1yuu h PHE 20 Ca 0.04 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.62 1yuu h PHE 20 Cb 0.02 0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1yuu h PHE 20 CO -0.10 -0.33 -0.04 0.35 -2.23 0.00 0.00 178.31 175.96 1yuu h PHE 21 N -0.10 -0.08 0.48 0.41 3.57 0.12 0.67 116.94 122.01 1yuu h PHE 21 Ca 0.27 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 1yuu h PHE 21 Cb 0.51 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1yuu h PHE 21 CO -0.57 -0.06 -0.44 1.79 -2.23 0.00 0.00 178.31 176.80 1yuu h THR 22 N -0.02 0.12 0.00 4.41 1.35 -0.79 0.53 112.91 118.51 1yuu h THR 22 Ca 0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.90 1yuu h THR 22 Cb 0.10 0.12 -0.00 0.00 -1.73 0.00 0.00 68.15 66.63 1yuu h THR 22 CO -0.11 0.00 -0.05 -0.26 -0.25 0.00 0.00 175.52 174.85 1yuu h PHE 23 N -0.92 0.00 0.00 4.73 0.04 -0.70 0.24 116.94 120.33 1yuu h PHE 23 Ca -0.05 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.58 1yuu h PHE 23 Cb 0.80 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.93 1yuu h PHE 23 CO -0.22 0.05 -0.69 0.00 -0.60 0.00 0.00 178.31 176.85 1yuu h ALA 24 N 1.95 0.58 0.00 2.45 0.00 0.72 -3.33 119.26 121.63 1yuu h ALA 24 Ca -0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 54.91 54.17 1yuu h ALA 24 Cb 0.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1yuu h ALA 24 CO 0.01 0.83 -0.61 -0.09 0.00 0.00 0.00 179.25 179.39 1yuu h ARG 25 N 0.00 0.00 -0.90 0.00 2.43 0.12 -3.04 114.38 113.00 1yuu h ARG 25 Ca -0.01 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.24 1yuu h ARG 25 Cb 1.51 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.96 1yuu h ARG 25 CO 0.08 0.56 -0.53 0.94 -1.51 0.00 0.00 179.97 179.52 1yuu n GLN 26 N -3.23 -0.39 -4.51 0.20 -0.06 -0.97 -4.62 117.38 103.80 1yuu n GLN 26 Ca 0.01 1.41 -0.26 0.00 -2.00 0.00 0.00 57.00 56.16 1yuu n GLN 26 Cb 0.77 -2.08 -0.10 0.00 -4.06 0.00 0.00 30.24 24.77 1yuu n GLN 26 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1yuu s GLU 27 N -5.33 1.95 0.00 3.69 2.02 -1.26 -5.04 118.70 114.73 1yuu s GLU 27 Ca -0.11 -1.97 0.00 0.00 0.02 0.00 0.00 54.97 52.91 1yuu s GLU 27 Cb 0.10 -1.74 0.00 0.00 0.10 0.00 0.00 34.13 32.59 1yuu s GLU 27 CO 0.56 0.04 0.00 0.41 0.02 0.00 0.00 175.26 176.28 1yuu n GLY 28 N -0.93 0.00 2.16 -1.39 0.00 -1.26 -4.50 105.19 99.27 1yuu n GLY 28 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 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 0.05 -3.39 -0.42 1.61 1.74 -1.26 -4.50 116.66 110.49 1yuu n ARG 29 Ca 0.00 2.66 -0.24 0.00 -0.77 0.00 0.00 57.85 59.50 1yuu n ARG 29 Cb 0.00 -3.74 -0.05 0.00 -1.02 0.00 0.00 32.46 27.65 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 1.23 0.48 0.00 5.56 2.85 -1.15 -1.11 118.16 126.03 1yuu n LYS 30 Ca -0.21 -0.98 0.00 0.00 -1.05 0.00 0.00 58.31 56.08 1yuu n LYS 30 Cb 0.32 -2.35 0.00 0.00 -0.65 0.00 0.00 35.03 32.35 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 6.57 0.00 -4.07 -5.58 2.03 -1.26 -4.87 116.55 109.37 1yuu n ASP 31 Ca 0.29 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.45 1yuu n ASP 31 Cb 0.21 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.49 1yuu n ASP 31 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1yuu s SER 32 N -0.15 1.00 -0.24 1.67 0.15 -0.26 -3.76 113.70 112.12 1yuu s SER 32 Ca 0.00 -0.51 -0.25 0.00 0.70 0.00 0.00 55.95 55.89 1yuu s SER 32 Cb 0.00 0.00 -0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1yuu s SER 32 CO 0.00 -0.14 0.87 -0.76 1.20 0.00 0.00 173.24 174.41 1yuu s LEU 33 N -1.42 4.09 0.72 3.45 2.01 0.08 -4.62 118.68 122.98 1yuu s LEU 33 Ca -0.07 1.10 -0.08 0.00 0.01 0.00 0.00 54.13 55.10 1yuu s LEU 33 Cb -0.09 -3.26 0.06 0.00 0.01 0.00 0.00 46.19 42.91 1yuu s LEU 33 CO 0.01 -0.54 1.04 -0.44 1.01 0.00 0.00 176.35 177.42 1yuu s SER 34 N 1.31 4.82 0.12 2.29 0.01 -1.26 -1.07 113.70 119.92 1yuu s SER 34 Ca 0.37 0.54 -0.15 0.00 1.31 0.00 0.00 55.95 58.01 1yuu s SER 34 Cb -0.15 -1.18 -0.02 0.00 0.21 0.00 0.00 66.02 64.87 1yuu s SER 34 CO 0.07 -1.61 1.57 1.62 0.41 0.00 0.00 173.24 175.29 1yuu h VAL 35 N -0.65 1.26 0.11 3.43 3.04 -1.98 0.51 116.25 121.96 1yuu h VAL 35 Ca -0.45 -1.00 -0.01 0.00 -1.01 0.00 0.00 66.70 64.23 1yuu h VAL 35 Cb 1.31 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.73 1yuu h VAL 35 CO 0.61 0.34 -0.05 -1.13 -1.01 0.00 0.00 177.57 176.33 1yuu h ASN 36 N 0.52 -0.13 -0.90 3.17 -1.24 -1.98 0.83 115.58 115.85 1yuu h ASN 36 Ca 0.11 -0.19 0.14 0.00 0.71 0.00 0.00 56.30 57.06 1yuu h ASN 36 Cb 0.47 0.03 -0.14 0.00 0.73 0.00 0.00 38.32 39.41 1yuu h ASN 36 CO 0.02 0.12 -0.36 -0.62 -1.29 0.00 0.00 177.43 175.31 1yuu n GLU 37 N -5.05 -0.22 0.14 6.67 1.02 -1.19 -0.34 120.64 121.67 1yuu n GLU 37 Ca -0.08 1.38 -0.14 0.00 -0.02 0.00 0.00 57.16 58.30 1yuu n GLU 37 Cb 0.17 -2.05 -0.08 0.00 -0.02 0.00 0.00 31.44 29.47 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 -0.25 -0.98 -0.32 3.04 -0.29 -2.55 116.94 115.59 1yuu h PHE 38 Ca 0.31 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.36 1yuu h PHE 38 Cb 0.53 0.08 -0.08 0.00 2.56 0.00 0.00 35.95 39.05 1yuu h PHE 38 CO -0.79 -0.15 0.63 -0.22 -2.02 0.00 0.00 178.31 175.76 1yuu h LYS 39 N -0.28 0.98 -1.00 1.11 3.64 0.12 0.10 116.57 121.25 1yuu h LYS 39 Ca -0.03 -0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.40 1yuu h LYS 39 Cb 0.21 -0.22 -0.08 0.00 -0.41 0.00 0.00 32.23 31.73 1yuu h LYS 39 CO 0.04 0.65 0.63 0.93 -2.27 0.00 0.00 179.45 179.44 1yuu h GLU 40 N 1.01 1.01 0.10 1.90 5.08 -0.39 0.12 114.58 123.42 1yuu h GLU 40 Ca 0.47 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1yuu h GLU 40 Cb 0.41 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1yuu h GLU 40 CO -0.23 0.67 -0.05 1.25 -1.00 0.00 0.00 179.01 179.65 1yuu h LEU 41 N 1.04 -0.12 -0.52 1.33 7.12 -0.40 0.23 115.31 124.00 1yuu h LEU 41 Ca 0.47 -0.12 -0.14 0.00 0.13 0.00 0.00 57.88 58.22 1yuu h LEU 41 Cb 0.39 0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.54 1yuu h LEU 41 CO -0.24 0.05 -0.32 -0.37 -0.13 0.00 0.00 178.44 177.43 1yuu h VAL 42 N -0.28 1.28 -0.59 1.05 -1.51 -1.17 -1.28 116.25 113.75 1yuu h VAL 42 Ca -0.01 -1.48 -0.03 0.00 -1.23 0.00 0.00 66.70 63.94 1yuu h VAL 42 Cb 0.23 1.32 -0.03 0.00 -2.13 0.00 0.00 31.29 30.69 1yuu h VAL 42 CO 0.02 0.49 0.24 0.74 -1.23 0.00 0.00 177.57 177.84 1yuu h THR 43 N 0.72 1.23 0.00 7.19 2.02 -0.68 -3.36 112.91 120.03 1yuu h THR 43 Ca 0.07 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 1yuu h THR 43 Cb 0.88 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1yuu h THR 43 CO 0.08 0.27 -0.00 -0.61 0.37 0.00 0.00 175.52 175.63 1yuu h GLN 44 N 0.81 -0.00 0.00 6.66 4.15 -0.20 -3.46 115.11 123.06 1yuu h GLN 44 Ca 0.20 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.62 1yuu h GLN 44 Cb 0.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.89 1yuu h GLN 44 CO -0.02 0.61 0.00 1.04 -1.93 0.00 0.00 178.83 178.53 1yuu n GLN 45 N -4.68 0.00 -3.89 1.69 6.02 -0.51 -4.91 117.38 111.11 1yuu n GLN 45 Ca -0.06 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.70 1yuu n GLN 45 Cb 0.30 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.56 1yuu n GLN 45 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1yuu n LEU 46 N 0.00 -0.06 -0.10 1.08 7.99 -1.26 -4.85 117.00 119.79 1yuu n LEU 46 Ca 0.00 -0.64 -0.13 0.00 -0.01 0.00 0.00 56.01 55.23 1yuu n LEU 46 Cb 0.00 -0.77 -0.04 0.00 -0.11 0.00 0.00 43.42 42.51 1yuu n LEU 46 CO 0.00 0.40 0.60 1.55 -1.51 0.00 0.00 177.39 178.43 1yuu h PRO 47 N 0.28 0.72 0.00 3.23 0.13 -1.91 -3.41 132.00 131.05 1yuu h PRO 47 Ca -0.35 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 1yuu h PRO 47 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1yuu h PRO 47 CO 0.26 0.97 -0.85 1.58 -0.23 0.00 0.00 178.00 179.73 1yuu n HIS 48 N -4.27 0.00 0.00 1.56 -0.00 -1.26 -4.85 115.22 106.39 1yuu n HIS 48 Ca -0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.15 1yuu n HIS 48 Cb 0.45 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.32 1yuu n HIS 48 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1yuu n LEU 49 N -1.31 0.00 -3.95 0.27 4.32 -1.26 -4.55 117.00 110.52 1yuu n LEU 49 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.56 1yuu n LEU 49 Cb 0.03 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 1yuu n LEU 49 CO 0.00 0.00 1.92 0.18 -1.22 0.00 0.00 177.39 178.27 1yuu n LEU 50 N 0.00 6.44 -4.58 2.23 4.77 -1.26 -4.96 117.00 119.64 1yuu n LEU 50 Ca 0.00 -4.58 -0.34 0.00 -0.03 0.00 0.00 56.01 51.06 1yuu n LEU 50 Cb 0.00 -1.51 0.11 0.00 -2.33 0.00 0.00 43.42 39.69 1yuu n LEU 50 CO 0.00 1.25 0.41 1.17 -1.33 0.00 0.00 177.39 178.89 1yuu n LYS 51 N 4.32 0.13 -3.25 3.23 4.81 -1.26 -3.51 118.16 122.62 1yuu n LYS 51 Ca 0.40 0.11 -0.10 0.00 -0.87 0.00 0.00 58.31 57.85 1yuu n LYS 51 Cb 0.37 -2.16 0.02 0.00 0.02 0.00 0.00 35.03 33.29 1yuu n LYS 51 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1yuu n ASP 52 N -2.07 -6.93 0.00 3.14 2.03 -1.26 -4.93 116.55 106.53 1yuu n ASP 52 Ca 0.11 -0.44 0.06 0.00 0.52 0.00 0.00 54.79 55.04 1yuu n ASP 52 Cb 0.51 -4.73 0.34 0.00 -0.72 0.00 0.00 41.12 36.53 1yuu n ASP 52 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1yuu n VAL 53 N -2.54 0.39 0.03 5.18 0.24 -1.23 -3.32 118.33 117.08 1yuu n VAL 53 Ca -0.06 0.10 -0.08 0.00 -2.04 0.00 0.00 64.34 62.25 1yuu n VAL 53 Cb 0.56 -0.89 -0.06 0.00 -1.47 0.00 0.00 33.84 31.98 1yuu n VAL 53 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1yuu h GLY 54 N 2.05 -0.19 -4.50 7.63 0.00 -1.92 -3.30 103.07 102.83 1yuu h GLY 54 Ca 0.00 0.07 -0.20 0.00 0.00 0.00 0.00 47.33 47.20 1yuu h GLY 54 CO 0.00 -0.07 0.52 -1.26 0.00 0.00 0.00 176.54 175.73 1yuu n SER 55 N -4.88 4.21 -0.04 0.19 2.88 -1.21 -4.22 113.62 110.54 1yuu n SER 55 Ca -0.06 -2.23 -0.14 0.00 -1.33 0.00 0.00 58.87 55.10 1yuu n SER 55 Cb 0.23 -1.05 -0.08 0.00 -0.75 0.00 0.00 64.21 62.55 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 5.83 0.43 -1.19 2.46 7.12 -1.73 -3.35 115.31 124.88 1yuu h LEU 56 Ca 0.23 -0.59 0.06 0.00 0.13 0.00 0.00 57.88 57.71 1yuu h LEU 56 Cb 0.89 -0.13 -0.05 0.00 -0.53 0.00 0.00 40.66 40.84 1yuu h LEU 56 CO 0.57 0.94 0.56 0.44 -0.13 0.00 0.00 178.44 180.82 1yuu h ASP 57 N -0.06 0.87 0.07 1.25 5.19 -1.91 0.55 116.42 122.38 1yuu h ASP 57 Ca -0.00 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.43 1yuu h ASP 57 Cb 0.89 -0.19 -0.04 0.00 0.18 0.00 0.00 39.33 40.17 1yuu h ASP 57 CO 0.06 0.57 -0.30 -0.08 -3.12 0.00 0.00 179.24 176.37 1yuu h GLU 58 N 0.99 -0.47 -0.07 3.56 4.81 -1.93 -0.78 114.58 120.69 1yuu h GLU 58 Ca 0.36 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.65 1yuu h GLU 58 Cb 0.17 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1yuu h GLU 58 CO -0.13 -0.31 -0.11 0.87 -0.73 0.00 0.00 179.01 178.60 1yuu h LYS 59 N -0.49 -0.15 -0.52 1.92 6.56 -0.19 -1.54 116.57 122.17 1yuu h LYS 59 Ca 0.04 0.01 0.10 0.00 -1.06 0.00 0.00 60.65 59.74 1yuu h LYS 59 Cb 0.54 0.03 -0.11 0.00 -0.57 0.00 0.00 32.23 32.13 1yuu h LYS 59 CO -0.21 -0.10 -0.31 1.98 -2.06 0.00 0.00 179.45 178.75 1yuu h MET 60 N -0.15 -0.17 -0.03 3.15 1.85 -0.50 0.45 114.93 119.53 1yuu h MET 60 Ca 0.06 0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.17 1yuu h MET 60 Cb 0.24 0.04 -0.00 0.00 0.43 0.00 0.00 31.60 32.31 1yuu h MET 60 CO -0.16 -0.11 0.03 0.87 -0.40 0.00 0.00 176.91 177.13 1yuu h LYS 61 N -0.18 0.00 0.03 0.39 1.57 -0.66 0.86 116.57 118.59 1yuu h LYS 61 Ca 0.22 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.95 1yuu h LYS 61 Cb 0.53 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.85 1yuu h LYS 61 CO -0.62 0.00 -0.21 0.77 -0.57 0.00 0.00 179.45 178.82 1yuu h SER 62 N 0.00 0.12 -0.10 0.86 0.02 0.75 -3.37 113.55 111.83 1yuu h SER 62 Ca 0.01 -0.98 -0.00 0.00 -0.84 0.00 0.00 61.79 59.98 1yuu h SER 62 Cb 0.07 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 1yuu h SER 62 CO -0.00 1.09 0.05 -0.07 -1.14 0.00 0.00 176.83 176.76 1yuu h LEU 63 N -0.83 0.13 -6.79 5.07 4.07 -0.36 -3.29 115.31 113.32 1yuu h LEU 63 Ca -0.04 -0.11 -0.62 0.00 0.08 0.00 0.00 57.88 57.19 1yuu h LEU 63 Cb 1.15 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.85 1yuu h LEU 63 CO 0.04 0.21 2.31 -0.67 -1.08 0.00 0.00 178.44 179.25 1yuu n ASP 64 N -4.95 3.32 -0.26 -0.43 2.03 0.27 -4.77 116.55 111.76 1yuu n ASP 64 Ca -0.05 -2.76 0.32 0.00 0.52 0.00 0.00 54.79 52.81 1yuu n ASP 64 Cb 0.09 -1.46 0.73 0.00 -0.72 0.00 0.00 41.12 39.75 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 4.78 0.48 0.00 5.18 -1.51 -1.76 0.33 116.25 123.74 1yuu h VAL 65 Ca 0.43 -0.01 -0.03 0.00 -1.23 0.00 0.00 66.70 65.86 1yuu h VAL 65 Cb 0.73 0.45 -0.01 0.00 -2.13 0.00 0.00 31.29 30.34 1yuu h VAL 65 CO 1.75 0.00 -0.83 -0.55 -1.23 0.00 0.00 177.57 176.72 1yuu h ASN 66 N 0.02 0.00 -5.98 4.19 7.08 -1.89 -3.49 115.58 115.52 1yuu h ASN 66 Ca 0.50 0.00 -0.39 0.00 -3.08 0.00 0.00 56.30 53.33 1yuu h ASN 66 Cb 1.98 0.00 0.08 0.00 -2.08 0.00 0.00 38.32 38.30 1yuu h ASN 66 CO -0.02 0.12 -0.83 0.00 -2.08 0.00 0.00 177.43 174.63 1yuu n GLN 67 N -2.83 -4.94 0.05 4.14 6.02 0.12 -4.92 117.38 115.01 1yuu n GLN 67 Ca -0.01 0.67 0.11 0.00 -0.01 0.00 0.00 57.00 57.76 1yuu n GLN 67 Cb 0.60 -5.29 -0.04 0.00 1.02 0.00 0.00 30.24 26.54 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 -3.06 0.54 -0.56 1.08 5.68 -1.26 -5.00 116.55 113.97 1yuu n ASP 68 Ca -0.28 0.05 -0.07 0.00 -0.50 0.00 0.00 54.79 53.99 1yuu n ASP 68 Cb 0.67 0.98 -0.03 0.00 -1.14 0.00 0.00 41.12 41.60 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 -2.31 -4.28 -4.29 -1.12 7.64 -1.26 -4.99 113.62 103.01 1yuu n SER 69 Ca -0.00 0.18 -0.39 0.00 1.01 0.00 0.00 58.87 59.66 1yuu n SER 69 Cb 0.51 -2.42 -0.11 0.00 -1.01 0.00 0.00 64.21 61.19 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 -2.33 2.65 -0.81 1.43 2.02 -1.26 -4.61 118.70 115.80 1yuu s GLU 70 Ca 0.00 -1.28 -0.24 0.00 0.02 0.00 0.00 54.97 53.46 1yuu s GLU 70 Cb 0.00 -3.66 0.05 0.00 0.10 0.00 0.00 34.13 30.62 1yuu s GLU 70 CO 0.00 -0.80 1.24 -0.51 0.02 0.00 0.00 175.26 175.21 1yuu s LEU 71 N 1.44 3.67 0.91 1.80 2.01 -0.23 -4.93 118.68 123.36 1yuu s LEU 71 Ca 0.01 -0.95 -0.11 0.00 0.01 0.00 0.00 54.13 53.10 1yuu s LEU 71 Cb -0.21 -2.52 0.14 0.00 0.01 0.00 0.00 46.19 43.61 1yuu s LEU 71 CO 0.03 -1.61 1.11 -0.75 1.01 0.00 0.00 176.35 176.14 1yuu s LYS 72 N 4.93 1.11 0.24 1.70 2.47 -1.26 -0.74 119.74 128.19 1yuu s LYS 72 Ca 0.35 1.23 -0.13 0.00 -1.56 0.00 0.00 55.97 55.85 1yuu s LYS 72 Cb -0.08 -1.76 0.32 0.00 -1.46 0.00 0.00 37.83 34.85 1yuu s LYS 72 CO 0.06 -2.46 1.52 0.34 0.16 0.00 0.00 175.35 174.97 1yuu n PHE 73 N -4.09 0.16 0.22 4.03 7.35 -1.25 -0.37 117.46 123.51 1yuu n PHE 73 Ca 0.09 1.20 0.07 0.00 -0.76 0.00 0.00 57.45 58.05 1yuu n PHE 73 Cb 0.53 -0.95 0.50 0.00 0.35 0.00 0.00 39.48 39.91 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 0.00 0.01 -2.13 -0.00 -1.94 0.22 115.58 111.73 1yuu h ASN 74 Ca 0.39 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.69 1yuu h ASN 74 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.96 1yuu h ASN 74 CO -0.99 0.26 -0.00 -0.33 -0.00 0.00 0.00 177.43 176.37 1yuu h GLU 75 N 0.00 -0.01 -0.71 6.67 5.08 -1.03 -3.33 114.58 121.25 1yuu h GLU 75 Ca -0.00 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.50 1yuu h GLU 75 Cb 0.54 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.66 1yuu h GLU 75 CO 0.03 0.34 -0.20 -0.92 -1.00 0.00 0.00 179.01 177.27 1yuu h TYR 76 N -1.00 -0.45 -0.99 4.33 3.20 -0.82 -1.39 116.97 119.85 1yuu h TYR 76 Ca -0.00 0.07 0.39 0.00 3.14 0.00 0.00 58.73 62.33 1yuu h TYR 76 Cb 0.36 0.31 -0.18 0.00 1.54 0.00 0.00 36.73 38.76 1yuu h TYR 76 CO 0.10 -0.32 0.45 1.87 -1.64 0.00 0.00 178.16 178.62 1yuu n TRP 77 N -5.48 1.07 -0.35 -3.82 -0.00 0.76 -0.67 117.44 108.95 1yuu n TRP 77 Ca 0.09 1.17 0.11 0.00 -0.00 0.00 0.00 57.50 58.87 1yuu n TRP 77 Cb 0.37 -1.51 0.22 0.00 -0.00 0.00 0.00 31.31 30.39 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 -0.08 -0.25 5.87 5.12 -0.52 -0.45 116.66 121.07 1yuu n ARG 78 Ca 0.35 1.52 0.06 0.00 -1.93 0.00 0.00 57.85 57.84 1yuu n ARG 78 Cb 1.19 -2.34 0.18 0.00 -1.16 0.00 0.00 32.46 30.32 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 -0.07 -1.71 0.55 5.85 -1.09 0.11 115.31 118.96 1yuu h LEU 79 Ca 0.55 0.16 -0.03 0.00 0.84 0.00 0.00 57.88 59.39 1yuu h LEU 79 Cb 1.01 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1yuu h LEU 79 CO -0.97 -0.07 -0.16 0.40 -0.34 0.00 0.00 178.44 177.29 1yuu h ILE 80 N 0.23 1.05 -0.17 4.05 2.04 -0.93 0.16 117.51 123.93 1yuu h ILE 80 Ca 0.41 -0.57 -0.08 0.00 1.00 0.00 0.00 64.86 65.63 1yuu h ILE 80 Cb 0.72 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1yuu h ILE 80 CO -0.54 0.16 -0.19 1.23 0.00 0.00 0.00 178.15 178.81 1yuu h GLY 81 N 0.53 0.48 0.68 5.37 0.00 -0.78 -0.44 103.07 108.90 1yuu h GLY 81 Ca -0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1yuu h GLY 81 CO 0.02 0.45 -0.04 0.83 0.00 0.00 0.00 176.54 177.79 1yuu h GLU 82 N 0.08 0.18 -0.81 4.80 4.39 -0.75 0.79 114.58 123.27 1yuu h GLU 82 Ca 0.03 -0.08 0.09 0.00 0.34 0.00 0.00 59.36 59.73 1yuu h GLU 82 Cb 0.73 -0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.27 1yuu h GLU 82 CO 0.05 0.55 -0.54 -0.07 -1.16 0.00 0.00 179.01 177.83 1yuu h LEU 83 N -0.19 -1.93 -2.92 1.33 4.07 -0.75 0.29 115.31 115.21 1yuu h LEU 83 Ca 0.02 0.30 0.00 0.00 0.08 0.00 0.00 57.88 58.28 1yuu h LEU 83 Cb 0.49 0.86 0.00 0.00 1.08 0.00 0.00 40.66 43.09 1yuu h LEU 83 CO 0.01 -0.29 0.00 0.00 -1.08 0.00 0.00 178.44 177.08 1yuu h ALA 84 N 0.48 1.00 0.00 1.53 0.00 -0.53 -2.16 119.26 119.59 1yuu h ALA 84 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1yuu h ALA 84 Cb 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1yuu h ALA 84 CO -0.83 -0.00 -0.05 -0.22 0.00 0.00 0.00 179.25 178.15 1yuu h LYS 85 N 0.00 0.00 -0.14 0.00 3.64 0.19 -3.38 116.57 116.87 1yuu h LYS 85 Ca 0.00 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1yuu h LYS 85 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1yuu h LYS 85 CO 0.00 0.73 0.11 0.93 -2.27 0.00 0.00 179.45 178.95 1yuu h GLU 86 N -1.00 0.00 -1.17 1.90 4.39 -0.01 0.19 114.58 118.88 1yuu h GLU 86 Ca -0.01 0.00 0.44 0.00 0.34 0.00 0.00 59.36 60.12 1yuu h GLU 86 Cb 0.74 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.23 1yuu h GLU 86 CO -0.01 0.00 0.70 0.97 -1.16 0.00 0.00 179.01 179.51 1yuu h ILE 87 N 0.00 0.04 0.00 3.13 6.09 -1.67 -3.12 117.51 121.98 1yuu h ILE 87 Ca 0.07 -0.01 -0.10 0.00 -1.37 0.00 0.00 64.86 63.45 1yuu h ILE 87 Cb 0.29 -0.00 -0.02 0.00 0.47 0.00 0.00 36.82 37.56 1yuu h ILE 87 CO -0.00 0.01 -1.36 -2.11 -3.07 0.00 0.00 178.15 171.61 1yuu n ARG 88 N -5.00 0.15 -1.26 2.19 -4.01 0.01 -4.81 116.66 103.93 1yuu n ARG 88 Ca 0.38 0.05 -0.37 0.00 -1.04 0.00 0.00 57.85 56.87 1yuu n ARG 88 Cb 1.38 -0.98 -0.03 0.00 -3.04 0.00 0.00 32.46 29.80 1yuu n ARG 88 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 1yuu n LYS 89 N -2.91 2.49 0.24 2.89 4.81 0.46 -4.49 118.16 121.64 1yuu n LYS 89 Ca -0.12 -2.05 0.16 0.00 -0.87 0.00 0.00 58.31 55.43 1yuu n LYS 89 Cb 0.61 -2.90 0.67 0.00 0.02 0.00 0.00 35.03 33.43 1yuu n LYS 89 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1yuu h LYS 90 N 6.38 0.00 0.00 1.64 3.64 -1.84 -3.40 116.57 122.99 1yuu h LYS 90 Ca 0.58 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.96 1yuu h LYS 90 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1yuu h LYS 90 CO 1.79 0.00 0.00 1.17 -2.27 0.00 0.00 179.45 180.14 1yuu n LYS 91 N -2.83 0.00 0.00 1.90 4.81 -1.26 -4.98 118.16 115.80 1yuu n LYS 91 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1yuu n LYS 91 Cb 0.26 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.31 1yuu n LYS 91 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1yuu n ASP 92 N -0.81 0.00 0.00 3.14 8.00 -1.26 -4.94 116.55 120.68 1yuu n ASP 92 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1yuu n ASP 92 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1yuu n ASP 92 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1yuu n LEU 93 N 0.00 0.00 -3.87 0.64 0.00 -1.26 -5.08 117.00 107.42 1yuu n LEU 93 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 55.90 1yuu n LEU 93 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.30 1yuu n LEU 93 CO 0.00 0.00 -0.26 -1.59 0.00 0.00 0.00 177.39 175.54 1yuu s LYS 94 N -1.85 0.24 -1.22 1.96 0.00 -1.26 -4.71 119.74 112.90 1yuu s LYS 94 Ca 0.00 -0.14 -0.17 0.00 0.00 0.00 0.00 55.97 55.67 1yuu s LYS 94 Cb 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 37.83 37.93 1yuu s LYS 94 CO 0.00 -0.05 0.68 -0.89 0.00 0.00 0.00 175.35 175.09 1yuu n ILE 95 N 2.38 -4.74 0.00 3.79 5.41 -1.26 -5.00 119.36 119.94 1yuu n ILE 95 Ca -0.17 -0.80 0.00 0.00 1.00 0.00 0.00 62.75 62.78 1yuu n ILE 95 Cb 0.58 -3.65 0.00 0.00 -0.71 0.00 0.00 39.64 35.86 1yuu n ILE 95 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 1yuu n ARG 96 N -4.34 0.00 -3.65 0.38 1.85 -1.26 -4.98 116.66 104.66 1yuu n ARG 96 Ca -0.16 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 56.69 1yuu n ARG 96 Cb 0.61 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.96 1yuu n ARG 96 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1yuu s LYS 97 N 0.00 0.12 0.00 2.89 2.36 -1.26 -4.88 119.74 118.97 1yuu s LYS 97 Ca 0.00 0.19 0.00 0.00 -2.55 0.00 0.00 55.97 53.61 1yuu s LYS 97 Cb 0.00 0.03 0.00 0.00 -1.05 0.00 0.00 37.83 36.81 1yuu s LYS 97 CO 0.00 -0.02 0.04 1.63 1.55 0.00 0.00 175.35 178.55