#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 4.35 0.00 3.04 0.00 -1.26 -5.02 121.76 122.87 1yuu s ALA 2 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.22 1yuu s ALA 2 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 22.04 1yuu s ALA 2 CO 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 175.76 175.33 1yuu n ALA 3 N -1.79 0.00 -3.65 0.00 0.00 -1.26 -5.10 120.51 108.71 1yuu n ALA 3 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.11 1yuu n ALA 3 Cb 0.62 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.00 2.24 0.63 0.00 -1.05 -1.26 -5.10 118.70 114.16 1yuu s GLU 4 Ca 0.00 -1.77 -0.15 0.00 -0.15 0.00 0.00 54.97 52.89 1yuu s GLU 4 Cb 0.00 -3.74 -0.02 0.00 -0.44 0.00 0.00 34.13 29.94 1yuu s GLU 4 CO 0.00 -1.12 1.08 -1.25 0.95 0.00 0.00 175.26 174.93 1yuu s PRO 5 N 1.25 3.04 0.50 -4.83 0.04 -1.26 -5.06 135.00 128.68 1yuu s PRO 5 Ca 0.07 1.29 0.03 0.00 0.04 0.00 0.00 61.00 62.43 1yuu s PRO 5 Cb -0.24 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 1yuu s PRO 5 CO -0.02 -1.04 0.08 -0.51 0.04 0.00 0.00 177.00 175.54 1yuu s LEU 6 N -4.71 2.48 0.69 -3.56 1.43 -1.26 -5.13 118.68 108.62 1yuu s LEU 6 Ca 0.65 -1.52 -0.12 0.00 -1.03 0.00 0.00 54.13 52.11 1yuu s LEU 6 Cb -0.18 -0.87 0.01 0.00 0.03 0.00 0.00 46.19 45.18 1yuu s LEU 6 CO 0.40 -0.82 1.06 0.28 0.23 0.00 0.00 176.35 177.50 1yuu s THR 7 N -2.82 3.89 0.18 5.49 -1.32 -1.26 -4.69 115.64 115.10 1yuu s THR 7 Ca 0.16 0.66 -0.25 0.00 -1.21 0.00 0.00 61.69 61.05 1yuu s THR 7 Cb 0.02 -3.33 0.06 0.00 -1.51 0.00 0.00 72.50 67.75 1yuu s THR 7 CO 0.09 -0.75 1.56 -0.33 -2.21 0.00 0.00 174.62 172.98 1yuu h GLU 8 N -0.57 -0.15 -0.30 7.08 5.08 -2.00 0.16 114.58 123.89 1yuu h GLU 8 Ca -0.44 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1yuu h GLU 8 Cb 1.21 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1yuu h GLU 8 CO 0.56 -0.10 0.17 -0.07 -1.00 0.00 0.00 179.01 178.57 1yuu h LEU 9 N -0.15 0.27 -0.28 1.33 3.38 -1.99 -0.18 115.31 117.68 1yuu h LEU 9 Ca 0.21 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.25 1yuu h LEU 9 Cb 0.55 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 1yuu h LEU 9 CO -0.78 0.20 -0.13 -0.33 0.09 0.00 0.00 178.44 177.49 1yuu h GLU 10 N 0.34 -0.08 -0.03 1.13 5.08 -1.44 0.94 114.58 120.53 1yuu h GLU 10 Ca 0.12 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1yuu h GLU 10 Cb 0.01 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1yuu h GLU 10 CO -0.06 -0.05 -0.20 0.93 -1.00 0.00 0.00 179.01 178.62 1yuu h GLU 11 N -0.08 -0.30 -0.52 2.33 4.39 -0.48 0.24 114.58 120.16 1yuu h GLU 11 Ca 0.15 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 1yuu h GLU 11 Cb 0.31 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1yuu h GLU 11 CO -0.34 -0.20 0.27 0.66 -1.16 0.00 0.00 179.01 178.24 1yuu h SER 12 N -0.31 0.67 -0.63 1.42 4.64 -0.39 -0.94 113.55 118.02 1yuu h SER 12 Ca 0.07 -0.11 -0.08 0.00 -0.47 0.00 0.00 61.79 61.19 1yuu h SER 12 Cb 0.40 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 1yuu h SER 12 CO -0.21 0.60 0.08 0.16 -0.87 0.00 0.00 176.83 176.60 1yuu h ILE 13 N 0.70 1.26 -0.08 0.95 -0.00 -0.73 -2.94 117.51 116.67 1yuu h ILE 13 Ca 0.18 -1.04 0.04 0.00 -0.00 0.00 0.00 64.86 64.04 1yuu h ILE 13 Cb 0.09 0.71 -0.06 0.00 -0.00 0.00 0.00 36.82 37.56 1yuu h ILE 13 CO -0.03 0.39 -0.35 -0.08 -0.00 0.00 0.00 178.15 178.08 1yuu h GLU 14 N 0.96 -0.44 -0.74 0.16 4.22 -0.22 0.24 114.58 118.76 1yuu h GLU 14 Ca 0.19 0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.70 1yuu h GLU 14 Cb 0.46 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1yuu h GLU 14 CO 0.02 -0.30 0.49 0.00 -2.18 0.00 0.00 179.01 177.04 1yuu h THR 15 N -0.46 1.08 0.08 0.32 1.03 -1.04 0.17 112.91 114.10 1yuu h THR 15 Ca 0.08 -0.30 -0.27 0.00 -0.01 0.00 0.00 66.41 65.91 1yuu h THR 15 Cb 0.58 0.15 0.01 0.00 -1.07 0.00 0.00 68.15 67.83 1yuu h THR 15 CO -0.34 0.16 -1.14 -0.37 -0.01 0.00 0.00 175.52 173.82 1yuu h VAL 16 N 0.86 1.38 -0.61 0.00 -1.51 -1.33 -2.94 116.25 112.11 1yuu h VAL 16 Ca 0.30 -2.61 -0.01 0.00 -1.23 0.00 0.00 66.70 63.16 1yuu h VAL 16 Cb 0.12 2.66 -0.03 0.00 -2.13 0.00 0.00 31.29 31.91 1yuu h VAL 16 CO -0.09 0.78 0.36 0.58 -1.23 0.00 0.00 177.57 177.96 1yuu h VAL 17 N 0.21 1.18 -0.05 7.19 2.07 0.13 0.21 116.25 127.20 1yuu h VAL 17 Ca -0.14 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1yuu h VAL 17 Cb 1.81 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1yuu h VAL 17 CO 0.20 0.19 0.01 0.00 0.02 0.00 0.00 177.57 178.00 1yuu h THR 18 N 0.82 1.20 -0.70 2.57 1.03 -0.84 0.14 112.91 117.13 1yuu h THR 18 Ca 0.22 -0.60 0.11 0.00 -0.01 0.00 0.00 66.41 66.13 1yuu h THR 18 Cb -0.00 1.52 -0.08 0.00 -1.07 0.00 0.00 68.15 68.52 1yuu h THR 18 CO -0.04 0.16 0.30 0.74 -0.01 0.00 0.00 175.52 176.67 1yuu h THR 19 N -0.16 0.76 0.81 0.00 2.02 -1.30 0.64 112.91 115.68 1yuu h THR 19 Ca 0.01 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 1yuu h THR 19 Cb 0.25 0.23 0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1yuu h THR 19 CO 0.00 0.09 -0.39 0.15 0.37 0.00 0.00 175.52 175.74 1yuu h PHE 20 N 0.49 -1.02 -0.74 3.16 3.57 -0.42 -2.82 116.94 119.16 1yuu h PHE 20 Ca 0.36 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.81 1yuu h PHE 20 Cb 0.46 0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 1yuu h PHE 20 CO -0.15 -0.63 0.35 0.74 -2.23 0.00 0.00 178.31 176.39 1yuu h PHE 21 N -1.09 1.08 0.00 0.41 0.04 -0.22 0.38 116.94 117.53 1yuu h PHE 21 Ca -0.11 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.59 1yuu h PHE 21 Cb 0.84 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 38.66 1yuu h PHE 21 CO 0.04 0.80 -0.06 0.00 -0.60 0.00 0.00 178.31 178.49 1yuu h THR 22 N 1.04 0.26 0.17 -1.55 1.03 -0.97 -0.98 112.91 111.90 1yuu h THR 22 Ca 0.25 -0.42 -0.25 0.00 -0.01 0.00 0.00 66.41 65.98 1yuu h THR 22 Cb 0.13 1.33 0.02 0.00 -1.07 0.00 0.00 68.15 68.57 1yuu h THR 22 CO -0.03 0.06 -1.13 -0.26 -0.01 0.00 0.00 175.52 174.15 1yuu h PHE 23 N 0.00 0.64 -0.26 0.00 -1.00 -0.89 -3.40 116.94 112.04 1yuu h PHE 23 Ca -0.00 -0.47 0.07 0.00 2.81 0.00 0.00 57.97 60.38 1yuu h PHE 23 Cb 0.33 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 1yuu h PHE 23 CO 0.00 1.43 0.20 0.00 -1.61 0.00 0.00 178.31 178.34 1yuu h ALA 24 N 0.08 2.14 -0.25 2.45 0.00 0.11 0.96 119.26 124.74 1yuu h ALA 24 Ca -0.21 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1yuu h ALA 24 Cb 1.82 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1yuu h ALA 24 CO 0.17 -0.33 -0.19 0.07 0.00 0.00 0.00 179.25 178.96 1yuu h ARG 25 N 0.00 0.45 -0.87 0.00 0.11 -1.69 -3.29 114.38 109.09 1yuu h ARG 25 Ca 0.12 -0.15 0.08 0.00 0.10 0.00 0.00 59.98 60.13 1yuu h ARG 25 Cb 0.52 -0.04 -0.11 0.00 1.11 0.00 0.00 29.97 31.45 1yuu h ARG 25 CO -0.00 0.63 -0.58 0.37 0.10 0.00 0.00 179.97 180.49 1yuu h GLN 26 N 0.41 -0.08 -3.11 0.08 5.75 -1.05 -2.24 115.11 114.88 1yuu h GLN 26 Ca 0.07 0.01 -0.75 0.00 -0.15 0.00 0.00 58.65 57.83 1yuu h GLN 26 Cb 0.57 0.02 -0.32 0.00 1.07 0.00 0.00 27.48 28.82 1yuu h GLN 26 CO 0.04 -0.05 0.24 0.39 -2.65 0.00 0.00 178.83 176.80 1yuu n GLU 27 N -5.26 3.41 -1.47 1.69 1.02 -1.26 -5.00 120.64 113.77 1yuu n GLU 27 Ca 0.01 -4.52 0.18 0.00 -0.02 0.00 0.00 57.16 52.81 1yuu n GLU 27 Cb 0.27 -2.46 -0.09 0.00 -0.02 0.00 0.00 31.44 29.15 1yuu n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yuu n GLY 28 N 1.90 -3.12 1.32 0.62 0.00 -0.84 -4.62 105.19 100.46 1yuu n GLY 28 Ca 0.25 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -4.37 -0.55 -0.85 1.61 1.74 -1.26 -4.35 116.66 108.63 1yuu n ARG 29 Ca -0.07 0.52 -0.31 0.00 -0.77 0.00 0.00 57.85 57.22 1yuu n ARG 29 Cb 0.69 -0.35 -0.04 0.00 -1.02 0.00 0.00 32.46 31.74 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 1.67 1.54 0.00 5.56 2.85 -1.24 -1.69 118.16 126.85 1yuu n LYS 30 Ca 0.00 -1.53 0.00 0.00 -1.05 0.00 0.00 58.31 55.73 1yuu n LYS 30 Cb 0.00 -2.63 0.00 0.00 -0.65 0.00 0.00 35.03 31.75 1yuu n LYS 30 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1yuu n ASP 31 N 6.01 0.00 -4.57 -5.58 8.00 -1.26 -4.83 116.55 114.32 1yuu n ASP 31 Ca 0.43 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.50 1yuu n ASP 31 Cb 0.26 0.14 -0.04 0.00 -0.02 0.00 0.00 41.12 41.45 1yuu n ASP 31 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1yuu s SER 32 N -1.51 6.53 -0.19 -2.24 1.04 -0.68 -0.40 113.70 116.25 1yuu s SER 32 Ca 0.00 0.21 -0.19 0.00 0.48 0.00 0.00 55.95 56.45 1yuu s SER 32 Cb 0.00 -2.45 -0.03 0.00 0.10 0.00 0.00 66.02 63.64 1yuu s SER 32 CO 0.00 -1.01 0.53 -0.76 0.98 0.00 0.00 173.24 172.98 1yuu s LEU 33 N 3.69 4.16 0.00 2.42 1.02 0.00 -4.76 118.68 125.21 1yuu s LEU 33 Ca 0.37 0.71 0.10 0.00 0.02 0.00 0.00 54.13 55.33 1yuu s LEU 33 Cb -0.10 -2.74 0.10 0.00 0.02 0.00 0.00 46.19 43.47 1yuu s LEU 33 CO 0.25 -0.18 0.82 -0.24 0.02 0.00 0.00 176.35 177.02 1yuu n SER 34 N 4.74 2.16 -0.17 2.29 2.88 -1.26 0.10 113.62 124.36 1yuu n SER 34 Ca -0.04 -2.57 0.07 0.00 -1.33 0.00 0.00 58.87 54.99 1yuu n SER 34 Cb 0.50 -0.43 0.37 0.00 -0.75 0.00 0.00 64.21 63.90 1yuu n SER 34 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 1yuu h VAL 35 N 0.10 1.02 0.02 2.46 -1.51 -1.99 0.03 116.25 116.39 1yuu h VAL 35 Ca -0.28 -0.25 -0.00 0.00 -1.23 0.00 0.00 66.70 64.94 1yuu h VAL 35 Cb 1.27 0.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 1yuu h VAL 35 CO 0.40 0.13 -0.01 -1.13 -1.23 0.00 0.00 177.57 175.73 1yuu h ASN 36 N 0.72 -0.03 -0.75 4.19 -1.24 -1.98 0.41 115.58 116.90 1yuu h ASN 36 Ca 0.30 -0.61 0.17 0.00 0.71 0.00 0.00 56.30 56.87 1yuu h ASN 36 Cb 0.26 0.01 -0.13 0.00 0.73 0.00 0.00 38.32 39.19 1yuu h ASN 36 CO -0.10 0.62 -0.04 -0.33 -1.29 0.00 0.00 177.43 176.29 1yuu h GLU 37 N -0.69 0.07 0.89 6.67 5.08 -1.84 0.26 114.58 125.01 1yuu h GLU 37 Ca -0.00 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1yuu h GLU 37 Cb 0.64 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.88 1yuu h GLU 37 CO 0.01 0.05 -0.43 0.35 -1.00 0.00 0.00 179.01 177.99 1yuu h PHE 38 N 0.08 -1.10 -0.77 4.33 3.57 -0.90 -2.76 116.94 119.38 1yuu h PHE 38 Ca 0.40 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.93 1yuu h PHE 38 Cb 0.69 0.37 -0.05 0.00 2.79 0.00 0.00 35.95 39.75 1yuu h PHE 38 CO -0.46 -0.69 0.51 -0.22 -2.23 0.00 0.00 178.31 175.22 1yuu h LYS 39 N -1.20 0.84 -0.67 1.11 3.64 0.29 0.03 116.57 120.61 1yuu h LYS 39 Ca -0.12 -0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.31 1yuu h LYS 39 Cb 0.91 -0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 32.47 1yuu h LYS 39 CO 0.20 0.56 0.27 0.93 -2.27 0.00 0.00 179.45 179.14 1yuu h GLU 40 N 0.87 0.45 0.02 1.90 5.08 -0.50 -1.37 114.58 121.03 1yuu h GLU 40 Ca 0.32 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1yuu h GLU 40 Cb 0.17 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1yuu h GLU 40 CO -0.11 0.29 -0.01 1.25 -1.00 0.00 0.00 179.01 179.44 1yuu h LEU 41 N 0.46 -0.02 -0.73 1.33 7.12 -0.68 0.28 115.31 123.06 1yuu h LEU 41 Ca 0.35 -0.27 -0.03 0.00 0.13 0.00 0.00 57.88 58.05 1yuu h LEU 41 Cb 0.44 0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 40.55 1yuu h LEU 41 CO -0.33 0.26 0.33 -0.37 -0.13 0.00 0.00 178.44 178.20 1yuu h VAL 42 N -0.31 1.24 0.01 1.05 -1.51 -1.37 -1.38 116.25 113.99 1yuu h VAL 42 Ca -0.00 -0.71 -0.00 0.00 -1.23 0.00 0.00 66.70 64.76 1yuu h VAL 42 Cb 0.29 0.35 0.00 0.00 -2.13 0.00 0.00 31.29 29.80 1yuu h VAL 42 CO 0.00 0.29 -0.01 0.74 -1.23 0.00 0.00 177.57 177.37 1yuu h THR 43 N 1.03 1.07 0.38 7.19 2.02 -1.16 -2.91 112.91 120.53 1yuu h THR 43 Ca 0.25 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1yuu h THR 43 Cb 0.15 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1yuu h THR 43 CO -0.03 0.07 -0.18 -0.61 0.37 0.00 0.00 175.52 175.14 1yuu h GLN 44 N -0.13 -0.49 -1.06 6.66 4.15 0.60 -3.40 115.11 121.44 1yuu h GLN 44 Ca -0.00 0.03 -0.39 0.00 0.77 0.00 0.00 58.65 59.06 1yuu h GLN 44 Cb 0.12 0.11 -0.28 0.00 0.21 0.00 0.00 27.48 27.65 1yuu h GLN 44 CO 0.00 -0.25 -0.83 1.04 -1.93 0.00 0.00 178.83 176.87 1yuu n GLN 45 N -5.25 0.82 -1.07 1.69 6.02 -0.66 -4.95 117.38 113.98 1yuu n GLN 45 Ca -0.11 -2.58 -0.04 0.00 -0.01 0.00 0.00 57.00 54.27 1yuu n GLN 45 Cb 0.25 -1.35 -0.04 0.00 1.02 0.00 0.00 30.24 30.12 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 1.14 -0.46 -0.09 1.08 7.94 -1.10 -4.90 117.00 120.61 1yuu n LEU 46 Ca 0.16 -1.91 -0.10 0.00 -1.11 0.00 0.00 56.01 53.04 1yuu n LEU 46 Cb 0.61 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.53 1yuu n LEU 46 CO 0.12 1.21 0.85 1.55 -1.11 0.00 0.00 177.39 180.02 1yuu h PRO 47 N 0.23 0.45 0.10 1.96 0.13 -1.84 -0.26 132.00 132.77 1yuu h PRO 47 Ca -0.44 -0.10 -0.15 0.00 -0.87 0.00 0.00 66.00 64.44 1yuu h PRO 47 Cb 1.49 -0.06 0.02 0.00 0.13 0.00 0.00 31.00 32.58 1yuu h PRO 47 CO -0.18 0.51 -0.65 1.25 -0.23 0.00 0.00 178.00 178.71 1yuu h HIS 48 N 0.31 0.45 -0.35 1.56 -0.00 -1.96 -2.64 115.15 112.52 1yuu h HIS 48 Ca 0.09 -0.32 -0.06 0.00 -0.00 0.00 0.00 60.37 60.09 1yuu h HIS 48 Cb 0.25 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.63 1yuu h HIS 48 CO 0.01 1.24 -0.01 1.25 -0.00 0.00 0.00 177.93 180.41 1yuu h LEU 49 N -0.46 0.61 -6.43 0.26 5.85 -1.93 -3.25 115.31 109.96 1yuu h LEU 49 Ca -0.11 -0.32 -0.59 0.00 0.84 0.00 0.00 57.88 57.70 1yuu h LEU 49 Cb 1.50 -0.17 -0.40 0.00 0.37 0.00 0.00 40.66 41.96 1yuu h LEU 49 CO 0.12 0.78 -0.79 0.18 -0.34 0.00 0.00 178.44 178.39 1yuu n LEU 50 N -4.50 1.77 -4.59 2.25 4.77 -0.12 -4.99 117.00 111.60 1yuu n LEU 50 Ca -0.02 -4.97 -0.33 0.00 -0.03 0.00 0.00 56.01 50.67 1yuu n LEU 50 Cb 0.28 -0.11 0.13 0.00 -2.33 0.00 0.00 43.42 41.38 1yuu n LEU 50 CO 0.40 1.93 0.45 2.29 -1.33 0.00 0.00 177.39 181.13 1yuu n LYS 51 N 1.73 -0.06 -2.89 3.23 -0.00 -0.99 -3.94 118.16 115.24 1yuu n LYS 51 Ca 0.25 0.05 -0.03 0.00 -0.00 0.00 0.00 58.31 58.58 1yuu n LYS 51 Cb 0.44 -2.20 0.00 0.00 -0.00 0.00 0.00 35.03 33.27 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 -2.63 -7.52 0.00 -5.58 2.03 -1.26 -4.93 116.55 96.66 1yuu n ASP 52 Ca 0.11 0.17 0.08 0.00 0.52 0.00 0.00 54.79 55.66 1yuu n ASP 52 Cb 0.51 -5.09 0.45 0.00 -0.72 0.00 0.00 41.12 36.27 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 -1.15 0.00 0.00 5.18 0.24 -1.25 -4.06 118.33 117.29 1yuu n VAL 53 Ca 0.05 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.34 1yuu n VAL 53 Cb 0.47 -0.36 -0.00 0.00 -1.47 0.00 0.00 33.84 32.48 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 4.62 -0.04 -5.52 7.63 0.00 -1.94 -3.37 103.07 104.45 1yuu h GLY 54 Ca 0.00 0.01 -0.59 0.00 0.00 0.00 0.00 47.33 46.75 1yuu h GLY 54 CO 0.00 -0.01 3.16 -1.26 0.00 0.00 0.00 176.54 178.42 1yuu n SER 55 N -2.89 5.87 0.08 0.19 2.88 -1.26 -4.38 113.62 114.12 1yuu n SER 55 Ca -0.00 -2.57 -0.08 0.00 -1.33 0.00 0.00 58.87 54.89 1yuu n SER 55 Cb 0.02 -1.39 -0.05 0.00 -0.75 0.00 0.00 64.21 62.03 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 8.88 0.13 -0.64 2.46 7.12 -1.80 -3.30 115.31 128.15 1yuu h LEU 56 Ca 0.65 -0.12 0.13 0.00 0.13 0.00 0.00 57.88 58.67 1yuu h LEU 56 Cb 0.37 -0.04 -0.12 0.00 -0.53 0.00 0.00 40.66 40.34 1yuu h LEU 56 CO 1.74 1.00 -0.22 -2.24 -0.13 0.00 0.00 178.44 178.59 1yuu h ASP 57 N 0.04 -0.77 0.11 1.25 2.03 -1.94 0.13 116.42 117.27 1yuu h ASP 57 Ca -0.03 0.21 0.02 0.00 -0.73 0.00 0.00 57.03 56.49 1yuu h ASP 57 Cb 1.63 0.46 -0.03 0.00 -0.83 0.00 0.00 39.33 40.56 1yuu h ASP 57 CO 0.13 -0.25 -0.23 -0.08 -1.03 0.00 0.00 179.24 177.78 1yuu h GLU 58 N -0.05 -0.41 -0.24 4.15 4.81 -1.94 -0.05 114.58 120.84 1yuu h GLU 58 Ca 0.30 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.58 1yuu h GLU 58 Cb 0.51 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 1yuu h GLU 58 CO -0.68 -0.28 0.05 0.87 -0.73 0.00 0.00 179.01 178.24 1yuu h LYS 59 N -0.43 0.14 -0.39 1.92 6.56 -1.54 -1.40 116.57 121.44 1yuu h LYS 59 Ca 0.03 -0.01 0.08 0.00 -1.06 0.00 0.00 60.65 59.69 1yuu h LYS 59 Cb 0.46 -0.03 -0.09 0.00 -0.57 0.00 0.00 32.23 31.99 1yuu h LYS 59 CO -0.14 0.10 -0.29 1.98 -2.06 0.00 0.00 179.45 179.04 1yuu h MET 60 N 0.15 -0.22 -0.42 3.15 4.05 -0.26 0.19 114.93 121.56 1yuu h MET 60 Ca 0.11 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 1yuu h MET 60 Cb 0.10 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.93 1yuu h MET 60 CO -0.14 -0.15 0.27 0.87 0.23 0.00 0.00 176.91 178.00 1yuu h LYS 61 N -0.23 0.56 -0.83 0.39 1.57 -0.59 0.12 116.57 117.56 1yuu h LYS 61 Ca 0.18 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1yuu h LYS 61 Cb 0.51 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 1yuu h LYS 61 CO -0.52 0.38 0.51 0.77 -0.57 0.00 0.00 179.45 180.02 1yuu h SER 62 N 0.57 0.98 0.27 0.86 0.02 -0.43 -3.28 113.55 112.54 1yuu h SER 62 Ca 0.15 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1yuu h SER 62 Cb -0.05 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.24 1yuu h SER 62 CO -0.03 0.75 -0.13 -0.07 -1.14 0.00 0.00 176.83 176.21 1yuu h LEU 63 N 1.13 -0.31 -7.97 5.07 3.38 -0.24 -3.40 115.31 112.97 1yuu h LEU 63 Ca 0.30 -0.21 -0.50 0.00 0.09 0.00 0.00 57.88 57.56 1yuu h LEU 63 Cb -0.06 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 1yuu h LEU 63 CO -0.06 0.17 1.54 -0.62 0.09 0.00 0.00 178.44 179.56 1yuu s ASP 64 N -5.22 5.94 0.34 -0.43 -1.08 0.37 -4.83 116.67 111.76 1yuu s ASP 64 Ca -0.12 -1.84 0.14 0.00 -0.52 0.00 0.00 52.55 50.21 1yuu s ASP 64 Cb 0.01 -2.58 1.08 0.00 -1.46 0.00 0.00 42.92 39.97 1yuu s ASP 64 CO 0.42 -2.09 1.67 -0.37 0.52 0.00 0.00 175.17 175.31 1yuu h VAL 65 N 6.13 0.32 -0.01 1.11 -1.51 -1.80 0.23 116.25 120.71 1yuu h VAL 65 Ca 0.29 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.65 1yuu h VAL 65 Cb 0.93 -0.06 0.00 0.00 -2.13 0.00 0.00 31.29 30.03 1yuu h VAL 65 CO 1.34 0.06 -0.38 -0.46 -1.23 0.00 0.00 177.57 176.91 1yuu n ASN 66 N -5.03 1.86 -3.83 4.19 6.94 -1.26 -4.99 115.26 113.14 1yuu n ASN 66 Ca 0.31 -1.41 -0.23 0.00 -0.02 0.00 0.00 54.58 53.23 1yuu n ASN 66 Cb 0.97 0.35 0.01 0.00 -2.36 0.00 0.00 39.78 38.75 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 -0.05 -4.05 0.07 -3.83 7.27 0.80 -4.92 117.38 112.67 1yuu n GLN 67 Ca 0.11 0.51 -0.22 0.00 0.07 0.00 0.00 57.00 57.46 1yuu n GLN 67 Cb 0.45 -4.84 -0.15 0.00 2.41 0.00 0.00 30.24 28.11 1yuu n GLN 67 CO 0.00 0.00 0.00 0.38 0.07 0.00 0.00 177.06 177.51 1yuu h ASP 68 N -1.85 0.59 0.00 1.69 3.04 -1.95 -3.48 116.42 114.46 1yuu h ASP 68 Ca -0.62 -0.92 0.00 0.00 -3.24 0.00 0.00 57.03 52.25 1yuu h ASP 68 Cb 1.37 -0.19 0.00 0.00 -1.04 0.00 0.00 39.33 39.47 1yuu h ASP 68 CO 0.59 1.60 0.00 -1.20 -2.04 0.00 0.00 179.24 178.20 1yuu n SER 69 N -3.88 -0.01 -4.13 4.15 7.64 -1.26 -5.07 113.62 111.05 1yuu n SER 69 Ca -0.19 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.35 1yuu n SER 69 Cb 0.96 -0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 64.02 1yuu n SER 69 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1yuu s GLU 70 N -0.35 2.29 -1.08 1.43 2.02 -1.26 -4.38 118.70 117.38 1yuu s GLU 70 Ca 0.00 -1.37 -0.22 0.00 0.02 0.00 0.00 54.97 53.41 1yuu s GLU 70 Cb 0.00 -3.14 0.04 0.00 0.10 0.00 0.00 34.13 31.13 1yuu s GLU 70 CO 0.00 -0.66 1.56 -0.51 0.02 0.00 0.00 175.26 175.67 1yuu s LEU 71 N 1.18 3.55 0.53 1.80 2.01 0.12 -4.83 118.68 123.03 1yuu s LEU 71 Ca -0.04 -1.64 -0.22 0.00 0.01 0.00 0.00 54.13 52.24 1yuu s LEU 71 Cb -0.20 -2.57 -0.05 0.00 0.01 0.00 0.00 46.19 43.37 1yuu s LEU 71 CO -0.03 -1.55 1.35 -0.75 1.01 0.00 0.00 176.35 176.38 1yuu s LYS 72 N 4.98 3.26 0.23 1.70 2.47 -1.26 -0.82 119.74 130.30 1yuu s LYS 72 Ca 0.50 2.22 -0.11 0.00 -1.56 0.00 0.00 55.97 57.03 1yuu s LYS 72 Cb 0.00 -2.32 0.32 0.00 -1.46 0.00 0.00 37.83 34.37 1yuu s LYS 72 CO -0.05 -1.09 1.37 1.97 0.16 0.00 0.00 175.35 177.71 1yuu n PHE 73 N -0.88 0.19 0.17 4.03 -1.74 0.46 0.38 117.46 120.08 1yuu n PHE 73 Ca 0.09 1.08 0.04 0.00 -0.56 0.00 0.00 57.45 58.10 1yuu n PHE 73 Cb 0.45 -0.93 0.27 0.00 1.52 0.00 0.00 39.48 40.79 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 0.00 0.80 5.98 -1.24 -1.89 0.22 115.58 119.45 1yuu h ASN 74 Ca 0.37 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.34 1yuu h ASN 74 Cb 0.59 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.65 1yuu h ASN 74 CO -0.89 0.43 -0.38 -0.33 -1.29 0.00 0.00 177.43 174.97 1yuu h GLU 75 N 0.00 -1.03 -0.77 6.67 5.08 -0.40 -3.31 114.58 120.82 1yuu h GLU 75 Ca -0.00 0.07 0.15 0.00 -1.00 0.00 0.00 59.36 58.58 1yuu h GLU 75 Cb 1.00 0.23 -0.10 0.00 0.50 0.00 0.00 28.75 30.38 1yuu h GLU 75 CO 0.06 -0.69 0.29 -0.92 -1.00 0.00 0.00 179.01 176.75 1yuu h TYR 76 N -1.25 0.48 -1.10 4.33 3.20 -0.55 -1.08 116.97 121.01 1yuu h TYR 76 Ca -0.11 0.04 0.35 0.00 3.14 0.00 0.00 58.73 62.15 1yuu h TYR 76 Cb 0.82 -0.10 -0.14 0.00 1.54 0.00 0.00 36.73 38.86 1yuu h TYR 76 CO 0.01 0.02 0.67 2.35 -1.64 0.00 0.00 178.16 179.57 1yuu h TRP 77 N 0.41 0.76 -0.99 -3.82 7.01 -0.65 0.17 115.95 118.84 1yuu h TRP 77 Ca 0.43 0.03 0.27 0.00 2.11 0.00 0.00 58.89 61.73 1yuu h TRP 77 Cb 0.70 -0.20 -0.18 0.00 -2.10 0.00 0.00 29.16 27.37 1yuu h TRP 77 CO -0.18 -0.17 0.02 0.54 -2.79 0.00 0.00 178.44 175.86 1yuu n ARG 78 N -4.89 -0.08 -0.16 2.65 5.12 -0.41 -0.58 116.66 118.32 1yuu n ARG 78 Ca 0.33 1.48 -0.03 0.00 -1.93 0.00 0.00 57.85 57.69 1yuu n ARG 78 Cb 1.12 -2.35 0.03 0.00 -1.16 0.00 0.00 32.46 30.11 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 -0.56 -1.97 0.55 5.85 -0.84 0.30 115.31 118.64 1yuu h LEU 79 Ca 0.60 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 59.45 1yuu h LEU 79 Cb 1.23 0.34 -0.00 0.00 0.37 0.00 0.00 40.66 42.60 1yuu h LEU 79 CO -0.93 -0.19 -0.10 0.40 -0.34 0.00 0.00 178.44 177.28 1yuu h ILE 80 N -0.04 0.49 0.27 4.05 5.03 -1.00 -1.17 117.51 125.14 1yuu h ILE 80 Ca 0.24 -0.48 -0.01 0.00 -0.12 0.00 0.00 64.86 64.49 1yuu h ILE 80 Cb 0.40 1.32 0.00 0.00 -3.03 0.00 0.00 36.82 35.51 1yuu h ILE 80 CO -0.53 0.10 -0.13 1.23 -0.68 0.00 0.00 178.15 178.14 1yuu h GLY 81 N 0.84 -0.38 0.57 5.37 0.00 -0.26 0.20 103.07 109.41 1yuu h GLY 81 Ca -0.00 0.14 0.06 0.00 0.00 0.00 0.00 47.33 47.53 1yuu h GLY 81 CO 0.01 -0.14 0.14 0.83 0.00 0.00 0.00 176.54 177.39 1yuu h GLU 82 N -0.85 0.29 -0.12 4.80 4.39 -0.26 0.16 114.58 122.99 1yuu h GLU 82 Ca -0.04 -0.02 -0.24 0.00 0.34 0.00 0.00 59.36 59.41 1yuu h GLU 82 Cb 0.51 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1yuu h GLU 82 CO 0.06 0.19 -0.85 1.37 -1.16 0.00 0.00 179.01 178.62 1yuu h LEU 83 N 0.30 0.95 -1.81 1.33 8.10 -1.28 0.48 115.31 123.38 1yuu h LEU 83 Ca 0.21 -0.66 0.11 0.00 0.11 0.00 0.00 57.88 57.65 1yuu h LEU 83 Cb 0.21 -0.28 -0.03 0.00 -0.44 0.00 0.00 40.66 40.12 1yuu h LEU 83 CO -0.22 1.46 0.36 0.00 -4.11 0.00 0.00 178.44 175.92 1yuu h ALA 84 N 0.51 2.20 0.18 0.17 0.00 -0.25 -1.78 119.26 120.30 1yuu h ALA 84 Ca -0.07 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.57 1yuu h ALA 84 Cb 1.49 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 19.28 1yuu h ALA 84 CO 0.17 -0.33 -1.11 -0.22 0.00 0.00 0.00 179.25 177.77 1yuu h LYS 85 N 0.21 0.43 -0.94 0.00 3.64 -0.36 -3.35 116.57 116.19 1yuu h LYS 85 Ca 0.24 -0.70 0.28 0.00 -1.27 0.00 0.00 60.65 59.20 1yuu h LYS 85 Cb 0.68 0.26 -0.14 0.00 -0.41 0.00 0.00 32.23 32.61 1yuu h LYS 85 CO -0.04 1.33 0.41 0.93 -2.27 0.00 0.00 179.45 179.81 1yuu h GLU 86 N -0.11 0.28 -1.28 1.90 4.39 0.85 0.41 114.58 121.02 1yuu h GLU 86 Ca -0.19 -0.02 0.37 0.00 0.34 0.00 0.00 59.36 59.86 1yuu h GLU 86 Cb 1.87 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 30.38 1yuu h GLU 86 CO 0.21 0.19 0.89 0.97 -1.16 0.00 0.00 179.01 180.10 1yuu h ILE 87 N 0.29 0.34 0.00 3.13 2.10 -1.65 -2.74 117.51 118.98 1yuu h ILE 87 Ca 0.64 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 66.55 1yuu h ILE 87 Cb 1.38 0.23 0.00 0.00 -1.09 0.00 0.00 36.82 37.34 1yuu h ILE 87 CO -0.62 0.02 -0.80 -2.11 -1.08 0.00 0.00 178.15 173.56 1yuu n ARG 88 N -4.32 1.25 -1.57 2.19 1.85 0.34 -4.85 116.66 111.55 1yuu n ARG 88 Ca 0.30 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.73 1yuu n ARG 88 Cb 1.29 -0.89 -0.01 0.00 -1.05 0.00 0.00 32.46 31.79 1yuu n ARG 88 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1yuu n LYS 89 N -1.30 2.62 -0.48 2.89 4.81 0.12 -4.84 118.16 121.97 1yuu n LYS 89 Ca 0.00 -2.40 0.39 0.00 -0.87 0.00 0.00 58.31 55.43 1yuu n LYS 89 Cb 0.00 -3.17 0.64 0.00 0.02 0.00 0.00 35.03 32.52 1yuu n LYS 89 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1yuu n LYS 90 N 6.08 -0.02 -2.77 1.64 0.00 -1.26 -1.80 118.16 120.04 1yuu n LYS 90 Ca 0.53 1.08 -0.10 0.00 -0.00 0.00 0.00 58.31 59.83 1yuu n LYS 90 Cb 0.38 -2.22 0.07 0.00 -0.00 0.00 0.00 35.03 33.26 1yuu n LYS 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1yuu n LYS 91 N -4.29 0.98 0.00 -1.58 4.76 -1.26 -4.88 118.16 111.88 1yuu n LYS 91 Ca 0.37 -2.01 0.00 0.00 -2.87 0.00 0.00 58.31 53.80 1yuu n LYS 91 Cb 1.51 -1.14 0.00 0.00 -1.84 0.00 0.00 35.03 33.56 1yuu n LYS 91 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1yuu n ASP 92 N 0.55 0.00 -0.12 4.39 5.75 -0.74 -4.09 116.55 122.29 1yuu n ASP 92 Ca 0.08 0.00 -0.24 0.00 -0.01 0.00 0.00 54.79 54.62 1yuu n ASP 92 Cb 0.69 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.66 1yuu n ASP 92 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1yuu n LEU 93 N 0.00 2.40 0.00 -2.12 7.94 -1.26 -5.08 117.00 118.88 1yuu n LEU 93 Ca 0.00 0.16 -0.11 0.00 -1.11 0.00 0.00 56.01 54.95 1yuu n LEU 93 Cb 0.00 -0.90 0.08 0.00 0.53 0.00 0.00 43.42 43.13 1yuu n LEU 93 CO 0.00 0.71 0.26 0.29 -1.11 0.00 0.00 177.39 177.54 1yuu n LYS 94 N -3.82 -1.20 -4.48 1.96 4.76 -1.26 -5.11 118.16 109.01 1yuu n LYS 94 Ca -0.47 -0.68 -0.24 0.00 -2.87 0.00 0.00 58.31 54.05 1yuu n LYS 94 Cb 0.92 -0.55 -0.10 0.00 -1.84 0.00 0.00 35.03 33.46 1yuu n LYS 94 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1yuu s ILE 95 N -1.87 2.40 0.07 -0.18 -0.00 -1.26 -4.73 121.20 115.63 1yuu s ILE 95 Ca 0.26 -2.37 0.00 0.00 -0.00 0.00 0.00 60.65 58.55 1yuu s ILE 95 Cb -0.02 -2.35 0.00 0.00 -0.00 0.00 0.00 42.46 40.10 1yuu s ILE 95 CO 0.20 -0.38 0.00 -1.14 -0.00 0.00 0.00 174.94 173.62 1yuu n ARG 96 N -0.64 0.00 0.00 0.37 0.63 -1.26 -5.08 116.66 110.69 1yuu n ARG 96 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 1yuu n ARG 96 Cb 0.61 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.52 1yuu n ARG 96 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1yuu n LYS 97 N -2.67 0.00 0.00 -0.14 4.81 -1.26 -5.23 118.16 113.67 1yuu n LYS 97 Ca 0.00 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.58 1yuu n LYS 97 Cb 0.00 0.00 0.50 0.00 0.02 0.00 0.00 35.03 35.55 1yuu n LYS 97 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93