#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 -0.93 0.00 3.17 0.00 -1.26 -5.11 121.76 117.63 1yuu s ALA 2 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1yuu s ALA 2 Cb 0.00 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.83 1yuu s ALA 2 CO 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 175.76 174.75 1yuu n ALA 3 N -0.53 0.00 -2.49 0.00 0.00 -1.26 -5.08 120.51 111.14 1yuu n ALA 3 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 1yuu n ALA 3 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.03 4.44 -0.58 0.00 2.02 -1.26 -4.96 118.70 118.32 1yuu s GLU 4 Ca 0.00 1.67 -0.27 0.00 0.02 0.00 0.00 54.97 56.39 1yuu s GLU 4 Cb 0.00 -3.42 0.01 0.00 0.10 0.00 0.00 34.13 30.82 1yuu s GLU 4 CO 0.00 -0.26 1.53 -1.25 0.02 0.00 0.00 175.26 175.30 1yuu s PRO 5 N 1.32 3.12 0.93 0.39 0.04 -1.26 -5.00 135.00 134.54 1yuu s PRO 5 Ca 0.57 0.46 -0.11 0.00 0.04 0.00 0.00 61.00 61.95 1yuu s PRO 5 Cb -0.26 -4.20 0.15 0.00 0.04 0.00 0.00 34.50 30.22 1yuu s PRO 5 CO 0.27 -2.16 1.09 -0.51 0.04 0.00 0.00 177.00 175.73 1yuu s LEU 6 N 6.81 2.18 0.86 -3.56 1.43 -1.26 -5.07 118.68 120.06 1yuu s LEU 6 Ca 0.55 1.58 -0.11 0.00 -1.03 0.00 0.00 54.13 55.12 1yuu s LEU 6 Cb -0.12 -3.94 0.15 0.00 0.03 0.00 0.00 46.19 42.31 1yuu s LEU 6 CO 0.23 -2.86 1.19 0.28 0.23 0.00 0.00 176.35 175.42 1yuu s THR 7 N -2.84 2.07 0.01 5.49 -1.32 -1.26 -4.82 115.64 112.96 1yuu s THR 7 Ca 0.64 -0.16 -0.24 0.00 -1.21 0.00 0.00 61.69 60.73 1yuu s THR 7 Cb -0.19 -2.91 -0.18 0.00 -1.51 0.00 0.00 72.50 67.71 1yuu s THR 7 CO 0.58 0.00 1.32 -0.08 -2.21 0.00 0.00 174.62 174.23 1yuu h GLU 8 N -1.19 0.14 0.22 7.08 4.81 -1.98 0.96 114.58 124.63 1yuu h GLU 8 Ca -0.43 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 1yuu h GLU 8 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1yuu h GLU 8 CO 0.45 0.57 -0.11 -0.07 -0.73 0.00 0.00 179.01 179.13 1yuu h LEU 9 N -0.28 -0.25 -0.24 1.64 4.07 -1.98 0.11 115.31 118.37 1yuu h LEU 9 Ca 0.01 -0.08 0.05 0.00 0.08 0.00 0.00 57.88 57.94 1yuu h LEU 9 Cb 0.54 0.07 -0.05 0.00 1.08 0.00 0.00 40.66 42.29 1yuu h LEU 9 CO 0.01 -0.08 -0.09 -0.33 -1.08 0.00 0.00 178.44 176.87 1yuu h GLU 10 N -0.41 -0.05 -0.16 1.13 5.08 -1.94 0.58 114.58 118.80 1yuu h GLU 10 Ca -0.03 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1yuu h GLU 10 Cb 0.32 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.51 1yuu h GLU 10 CO 0.05 -0.04 -0.33 1.49 -1.00 0.00 0.00 179.01 179.18 1yuu h GLU 11 N -0.05 -0.38 -0.26 2.33 4.57 -0.75 -0.31 114.58 119.73 1yuu h GLU 11 Ca 0.12 0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.38 1yuu h GLU 11 Cb 0.24 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.87 1yuu h GLU 11 CO -0.28 -0.25 -0.04 0.77 -1.18 0.00 0.00 179.01 178.03 1yuu h SER 12 N -0.39 -0.19 -0.57 1.04 0.02 0.10 0.11 113.55 113.66 1yuu h SER 12 Ca 0.10 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1yuu h SER 12 Cb 0.55 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 1yuu h SER 12 CO -0.38 -0.06 0.25 0.16 -1.14 0.00 0.00 176.83 175.66 1yuu h ILE 13 N 0.02 1.21 0.80 3.27 -0.00 -0.70 -2.77 117.51 119.34 1yuu h ILE 13 Ca 0.12 -0.66 -0.04 0.00 -0.00 0.00 0.00 64.86 64.29 1yuu h ILE 13 Cb 0.18 0.48 0.01 0.00 -0.00 0.00 0.00 36.82 37.49 1yuu h ILE 13 CO -0.25 0.26 -0.38 -0.08 -0.00 0.00 0.00 178.15 177.70 1yuu h GLU 14 N 0.87 -1.03 -1.00 0.16 4.22 0.28 -0.13 114.58 117.95 1yuu h GLU 14 Ca 0.21 0.07 0.17 0.00 0.08 0.00 0.00 59.36 59.89 1yuu h GLU 14 Cb 0.16 0.23 -0.10 0.00 0.50 0.00 0.00 28.75 29.54 1yuu h GLU 14 CO -0.02 -0.68 0.62 0.00 -2.18 0.00 0.00 179.01 176.75 1yuu h THR 15 N -1.10 0.77 -0.13 0.32 1.03 -0.65 0.26 112.91 113.41 1yuu h THR 15 Ca -0.11 -0.29 -0.18 0.00 -0.01 0.00 0.00 66.41 65.83 1yuu h THR 15 Cb 0.83 -0.13 0.01 0.00 -1.07 0.00 0.00 68.15 67.78 1yuu h THR 15 CO 0.18 0.15 -0.61 -0.37 -0.01 0.00 0.00 175.52 174.86 1yuu h VAL 16 N 0.83 1.33 -0.13 0.00 -1.51 -1.48 -2.36 116.25 112.93 1yuu h VAL 16 Ca 0.55 -1.88 0.04 0.00 -1.23 0.00 0.00 66.70 64.18 1yuu h VAL 16 Cb 0.77 2.10 -0.04 0.00 -2.13 0.00 0.00 31.29 31.99 1yuu h VAL 16 CO -0.34 0.58 -0.12 0.58 -1.23 0.00 0.00 177.57 177.04 1yuu h VAL 17 N 0.30 0.67 -0.16 7.19 2.07 0.13 0.12 116.25 126.56 1yuu h VAL 17 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1yuu h VAL 17 Cb 1.25 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1yuu h VAL 17 CO 0.13 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.82 1yuu h THR 18 N -0.14 1.05 -0.13 2.57 1.03 -0.72 0.19 112.91 116.77 1yuu h THR 18 Ca 0.09 -0.11 0.04 0.00 -0.01 0.00 0.00 66.41 66.42 1yuu h THR 18 Cb 0.26 0.83 -0.04 0.00 -1.07 0.00 0.00 68.15 68.13 1yuu h THR 18 CO -0.21 0.05 -0.12 0.74 -0.01 0.00 0.00 175.52 175.97 1yuu h THR 19 N 0.21 0.66 -0.34 0.00 2.02 -1.18 -0.17 112.91 114.11 1yuu h THR 19 Ca 0.06 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.29 1yuu h THR 19 Cb -0.01 0.66 -0.08 0.00 -1.74 0.00 0.00 68.15 66.98 1yuu h THR 19 CO -0.01 0.00 -0.51 0.15 0.37 0.00 0.00 175.52 175.52 1yuu h PHE 20 N -0.14 -1.54 -0.40 3.16 3.57 -0.55 -3.01 116.94 118.04 1yuu h PHE 20 Ca 0.09 0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.70 1yuu h PHE 20 Cb 0.27 0.72 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 1yuu h PHE 20 CO -0.24 -0.49 0.17 0.35 -2.23 0.00 0.00 178.31 175.86 1yuu h PHE 21 N -0.42 0.30 -0.88 0.41 3.57 0.68 0.56 116.94 121.16 1yuu h PHE 21 Ca 0.09 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.74 1yuu h PHE 21 Cb 0.61 -0.08 -0.09 0.00 2.79 0.00 0.00 35.95 39.19 1yuu h PHE 21 CO -0.66 0.14 0.49 1.79 -2.23 0.00 0.00 178.31 177.84 1yuu h THR 22 N 0.34 0.79 0.03 4.41 1.35 -0.99 -0.71 112.91 118.13 1yuu h THR 22 Ca 0.18 -0.25 -0.24 0.00 -0.55 0.00 0.00 66.41 65.55 1yuu h THR 22 Cb 0.13 -0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 66.52 1yuu h THR 22 CO -0.16 0.13 -1.15 -0.26 -0.25 0.00 0.00 175.52 173.83 1yuu h PHE 23 N 0.73 0.11 -0.55 4.73 0.04 -1.11 -3.30 116.94 117.59 1yuu h PHE 23 Ca 0.47 -0.08 0.03 0.00 2.80 0.00 0.00 57.97 61.19 1yuu h PHE 23 Cb 0.60 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.72 1yuu h PHE 23 CO -0.06 1.07 0.36 0.00 -0.60 0.00 0.00 178.31 179.08 1yuu h ALA 24 N 0.90 1.72 0.00 2.45 0.00 0.13 -1.48 119.26 122.97 1yuu h ALA 24 Ca -0.08 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1yuu h ALA 24 Cb 1.85 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1yuu h ALA 24 CO 0.14 0.23 -0.29 -0.09 0.00 0.00 0.00 179.25 179.24 1yuu h ARG 25 N 0.64 0.00 -0.82 0.00 2.43 -1.26 -3.29 114.38 112.09 1yuu h ARG 25 Ca 0.22 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.46 1yuu h ARG 25 Cb 0.08 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.52 1yuu h ARG 25 CO -0.06 0.29 -0.54 0.37 -1.51 0.00 0.00 179.97 178.53 1yuu h GLN 26 N 0.00 -0.06 -6.04 0.20 5.75 -1.37 -3.41 115.11 110.18 1yuu h GLN 26 Ca -0.00 0.00 -0.53 0.00 -0.15 0.00 0.00 58.65 57.97 1yuu h GLN 26 Cb 0.69 0.01 -0.06 0.00 1.07 0.00 0.00 27.48 29.19 1yuu h GLN 26 CO 0.04 -0.04 -0.45 -1.21 -2.65 0.00 0.00 178.83 174.51 1yuu s GLU 27 N -5.32 2.38 0.00 1.69 2.02 -1.26 -5.05 118.70 113.16 1yuu s GLU 27 Ca -0.11 -1.67 0.00 0.00 0.02 0.00 0.00 54.97 53.21 1yuu s GLU 27 Cb 0.10 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 32.15 1yuu s GLU 27 CO 0.57 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 176.14 1yuu n GLY 28 N -1.36 0.00 1.87 -1.39 0.00 -1.26 -4.51 105.19 98.54 1yuu n GLY 28 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 -2.72 -0.47 1.61 3.00 -1.26 -4.59 116.66 112.23 1yuu n ARG 29 Ca 0.00 2.23 -0.11 0.00 -0.01 0.00 0.00 57.85 59.96 1yuu n ARG 29 Cb 0.00 -2.96 -0.04 0.00 0.00 0.00 0.00 32.46 29.46 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 0.97 1.17 0.20 5.56 2.85 -1.24 -2.87 118.16 124.81 1yuu n LYS 30 Ca -0.09 -0.81 0.00 0.00 -1.05 0.00 0.00 58.31 56.36 1yuu n LYS 30 Cb 0.14 -2.03 0.00 0.00 -0.65 0.00 0.00 35.03 32.49 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 3.65 -3.48 -4.70 -5.58 -0.08 -1.26 -4.76 116.55 100.35 1yuu n ASP 31 Ca 0.25 0.77 -0.41 0.00 -1.51 0.00 0.00 54.79 53.88 1yuu n ASP 31 Cb 0.23 3.30 -0.03 0.00 2.34 0.00 0.00 41.12 46.95 1yuu n ASP 31 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1yuu s SER 32 N -2.00 7.15 -0.10 1.67 0.01 -1.14 -2.93 113.70 116.37 1yuu s SER 32 Ca 0.00 1.40 -0.16 0.00 1.31 0.00 0.00 55.95 58.50 1yuu s SER 32 Cb 0.00 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.68 1yuu s SER 32 CO 0.00 -0.31 0.41 -0.76 0.41 0.00 0.00 173.24 172.99 1yuu s LEU 33 N 1.50 4.32 0.89 2.44 1.02 0.26 -4.65 118.68 124.45 1yuu s LEU 33 Ca 0.44 0.77 -0.13 0.00 0.02 0.00 0.00 54.13 55.24 1yuu s LEU 33 Cb -0.18 -2.59 0.16 0.00 0.02 0.00 0.00 46.19 43.60 1yuu s LEU 33 CO 0.19 0.10 1.24 -0.55 0.02 0.00 0.00 176.35 177.36 1yuu s SER 34 N 0.18 3.63 0.06 2.29 0.15 -1.26 -0.61 113.70 118.14 1yuu s SER 34 Ca 0.23 0.33 -0.22 0.00 0.70 0.00 0.00 55.95 56.98 1yuu s SER 34 Cb -0.15 -0.53 -0.13 0.00 -1.71 0.00 0.00 66.02 63.49 1yuu s SER 34 CO 0.09 -2.40 1.54 0.58 1.20 0.00 0.00 173.24 174.25 1yuu h VAL 35 N -1.35 1.20 0.65 4.45 2.07 -2.00 0.12 116.25 121.40 1yuu h VAL 35 Ca -0.44 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 1yuu h VAL 35 Cb 1.26 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1yuu h VAL 35 CO 0.45 0.18 -0.34 -1.13 0.02 0.00 0.00 177.57 176.76 1yuu h ASN 36 N -0.05 -0.81 -0.96 0.57 -1.24 -1.98 0.04 115.58 111.16 1yuu h ASN 36 Ca 0.03 0.03 0.17 0.00 0.71 0.00 0.00 56.30 57.25 1yuu h ASN 36 Cb 0.26 0.22 -0.17 0.00 0.73 0.00 0.00 38.32 39.36 1yuu h ASN 36 CO 0.00 -0.56 -0.31 -0.62 -1.29 0.00 0.00 177.43 174.65 1yuu n GLU 37 N -5.49 -0.16 0.39 6.67 1.02 -1.16 -0.36 120.64 121.55 1yuu n GLU 37 Ca -0.13 1.49 -0.19 0.00 -0.02 0.00 0.00 57.16 58.31 1yuu n GLU 37 Cb 0.38 -2.22 -0.09 0.00 -0.02 0.00 0.00 31.44 29.49 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 -1.09 -0.99 -0.32 3.57 -0.52 -3.11 116.94 114.48 1yuu h PHE 38 Ca 0.40 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 62.04 1yuu h PHE 38 Cb 0.64 0.38 -0.09 0.00 2.79 0.00 0.00 35.95 39.66 1yuu h PHE 38 CO -0.79 -0.63 0.62 -0.22 -2.23 0.00 0.00 178.31 175.06 1yuu h LYS 39 N -1.04 0.83 -0.71 1.11 3.64 0.12 -0.71 116.57 119.81 1yuu h LYS 39 Ca -0.09 -0.05 0.16 0.00 -1.27 0.00 0.00 60.65 59.39 1yuu h LYS 39 Cb 0.83 -0.19 -0.12 0.00 -0.41 0.00 0.00 32.23 32.35 1yuu h LYS 39 CO 0.11 0.55 0.03 0.93 -2.27 0.00 0.00 179.45 178.79 1yuu h GLU 40 N 0.85 0.13 -0.21 1.90 5.08 -0.63 0.36 114.58 122.06 1yuu h GLU 40 Ca 0.53 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.85 1yuu h GLU 40 Cb 0.71 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1yuu h GLU 40 CO -0.31 0.08 0.01 1.25 -1.00 0.00 0.00 179.01 179.04 1yuu h LEU 41 N 0.13 0.35 -0.68 1.33 5.85 -1.16 0.27 115.31 121.40 1yuu h LEU 41 Ca 0.38 -0.30 -0.13 0.00 0.84 0.00 0.00 57.88 58.68 1yuu h LEU 41 Cb 0.66 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1yuu h LEU 41 CO -0.60 0.56 -0.36 -0.37 -0.34 0.00 0.00 178.44 177.33 1yuu h VAL 42 N 0.13 1.29 -0.00 1.05 -1.51 -1.46 0.33 116.25 116.08 1yuu h VAL 42 Ca 0.06 -1.50 -0.16 0.00 -1.23 0.00 0.00 66.70 63.86 1yuu h VAL 42 Cb 0.37 1.47 -0.02 0.00 -2.13 0.00 0.00 31.29 30.98 1yuu h VAL 42 CO 0.01 0.48 -0.78 0.74 -1.23 0.00 0.00 177.57 176.79 1yuu h THR 43 N 0.52 1.54 0.00 7.19 2.02 -0.75 -3.37 112.91 120.06 1yuu h THR 43 Ca 0.05 -2.62 -0.00 0.00 0.77 0.00 0.00 66.41 64.61 1yuu h THR 43 Cb 0.86 2.42 -0.00 0.00 -1.74 0.00 0.00 68.15 69.69 1yuu h THR 43 CO 0.07 0.75 -0.04 -0.61 0.37 0.00 0.00 175.52 176.07 1yuu h GLN 44 N 0.01 0.00 0.00 6.66 4.15 -0.02 -3.48 115.11 122.44 1yuu h GLN 44 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1yuu h GLN 44 Cb 1.37 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.06 1yuu h GLN 44 CO 0.10 0.26 0.00 1.04 -1.93 0.00 0.00 178.83 178.30 1yuu n GLN 45 N -4.73 0.00 -3.52 1.69 3.00 0.07 -4.95 117.38 108.94 1yuu n GLN 45 Ca -0.03 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.79 1yuu n GLN 45 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.38 1yuu n GLN 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1yuu n LEU 46 N 0.00 -0.39 -0.04 1.08 7.99 -1.26 -4.87 117.00 119.51 1yuu n LEU 46 Ca 0.00 -0.52 -0.13 0.00 -0.01 0.00 0.00 56.01 55.34 1yuu n LEU 46 Cb 0.00 -0.71 -0.12 0.00 -0.11 0.00 0.00 43.42 42.48 1yuu n LEU 46 CO 0.00 0.29 0.49 1.55 -1.51 0.00 0.00 177.39 178.21 1yuu h PRO 47 N 0.48 -0.00 0.00 3.23 0.13 -1.92 -3.41 132.00 130.50 1yuu h PRO 47 Ca -0.31 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.76 1yuu h PRO 47 Cb 0.63 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 1yuu h PRO 47 CO 0.20 0.77 -1.69 1.58 -0.23 0.00 0.00 178.00 178.62 1yuu n HIS 48 N -4.72 0.00 0.00 1.56 -0.00 -1.26 -4.61 115.22 106.18 1yuu n HIS 48 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.63 1yuu n HIS 48 Cb 0.38 -0.40 0.00 0.00 -0.00 0.00 0.00 29.99 29.97 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 -2.11 0.00 -3.69 0.27 7.94 -1.26 -4.19 117.00 113.96 1yuu n LEU 49 Ca -0.08 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.41 1yuu n LEU 49 Cb 0.51 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.46 1yuu n LEU 49 CO 0.28 0.00 2.61 0.18 -1.11 0.00 0.00 177.39 179.36 1yuu n LEU 50 N 0.00 7.16 -4.69 -1.96 4.77 -1.26 -4.97 117.00 116.05 1yuu n LEU 50 Ca 0.00 -4.33 -0.33 0.00 -0.03 0.00 0.00 56.01 51.32 1yuu n LEU 50 Cb 0.00 -1.59 0.13 0.00 -2.33 0.00 0.00 43.42 39.63 1yuu n LEU 50 CO 0.00 1.36 0.75 2.29 -1.33 0.00 0.00 177.39 180.45 1yuu n LYS 51 N 5.01 0.15 -2.29 3.23 2.85 -1.26 -4.17 118.16 121.68 1yuu n LYS 51 Ca 0.54 0.13 -0.03 0.00 -1.05 0.00 0.00 58.31 57.90 1yuu n LYS 51 Cb 0.35 -2.42 0.00 0.00 -0.65 0.00 0.00 35.03 32.31 1yuu n LYS 51 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1yuu n ASP 52 N -3.27 -5.70 -2.18 -5.58 2.03 -1.26 -4.99 116.55 95.60 1yuu n ASP 52 Ca 0.13 0.59 -0.20 0.00 0.52 0.00 0.00 54.79 55.83 1yuu n ASP 52 Cb 0.50 -3.70 0.21 0.00 -0.72 0.00 0.00 41.12 37.41 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 -0.00 3.15 -0.06 5.18 0.24 -1.26 -4.44 118.33 121.14 1yuu n VAL 53 Ca 0.04 -1.86 -0.09 0.00 -2.04 0.00 0.00 64.34 60.39 1yuu n VAL 53 Cb 0.15 -0.44 -0.03 0.00 -1.47 0.00 0.00 33.84 32.05 1yuu n VAL 53 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1yuu n GLY 54 N -0.92 -0.42 2.44 7.63 0.00 -1.26 -4.64 105.19 108.02 1yuu n GLY 54 Ca 0.56 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.99 1yuu n GLY 54 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yuu n SER 55 N -4.21 7.26 0.19 1.61 2.88 -1.26 -4.49 113.62 115.60 1yuu n SER 55 Ca -0.14 -2.52 0.06 0.00 -1.33 0.00 0.00 58.87 54.95 1yuu n SER 55 Cb 0.44 -1.42 0.30 0.00 -0.75 0.00 0.00 64.21 62.78 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 7.71 0.00 -0.16 2.46 7.12 -1.84 -3.09 115.31 127.51 1yuu h LEU 56 Ca 0.74 0.00 0.05 0.00 0.13 0.00 0.00 57.88 58.80 1yuu h LEU 56 Cb 0.27 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.35 1yuu h LEU 56 CO 1.70 0.35 -0.22 -2.24 -0.13 0.00 0.00 178.44 177.89 1yuu h ASP 57 N 0.00 -0.70 0.20 1.25 2.03 -1.99 0.25 116.42 117.47 1yuu h ASP 57 Ca -0.00 0.12 0.01 0.00 -0.73 0.00 0.00 57.03 56.43 1yuu h ASP 57 Cb 0.96 0.32 -0.04 0.00 -0.83 0.00 0.00 39.33 39.74 1yuu h ASP 57 CO 0.05 -0.27 -0.37 -0.08 -1.03 0.00 0.00 179.24 177.53 1yuu h GLU 58 N -0.27 -0.63 -0.63 4.15 4.81 -1.93 -0.10 114.58 119.98 1yuu h GLU 58 Ca 0.11 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.48 1yuu h GLU 58 Cb 0.43 0.14 -0.08 0.00 0.63 0.00 0.00 28.75 29.88 1yuu h GLU 58 CO -0.31 -0.42 0.24 0.87 -0.73 0.00 0.00 179.01 178.65 1yuu h LYS 59 N -0.66 0.40 0.40 1.92 1.79 -1.51 0.12 116.57 119.04 1yuu h LYS 59 Ca 0.01 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1yuu h LYS 59 Cb 0.65 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1yuu h LYS 59 CO -0.17 0.26 -0.32 1.98 -1.08 0.00 0.00 179.45 180.13 1yuu h MET 60 N 0.41 -0.69 -0.25 3.15 4.05 0.11 0.75 114.93 122.46 1yuu h MET 60 Ca 0.32 0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.75 1yuu h MET 60 Cb 0.41 0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.36 1yuu h MET 60 CO -0.32 -0.46 -0.00 0.87 0.23 0.00 0.00 176.91 177.22 1yuu h LYS 61 N -0.72 0.37 -0.70 0.39 1.57 -0.62 0.11 116.57 116.96 1yuu h LYS 61 Ca -0.04 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1yuu h LYS 61 Cb 0.62 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 1yuu h LYS 61 CO -0.01 0.40 0.36 1.03 -0.57 0.00 0.00 179.45 180.66 1yuu h SER 62 N 0.36 0.91 0.11 0.86 0.87 -0.23 -3.34 113.55 113.09 1yuu h SER 62 Ca 0.08 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1yuu h SER 62 Cb 0.25 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1yuu h SER 62 CO 0.01 0.77 -0.05 -0.07 -0.53 0.00 0.00 176.83 176.95 1yuu h LEU 63 N 0.98 -0.13 -9.12 2.23 3.38 0.35 -3.45 115.31 109.55 1yuu h LEU 63 Ca 0.24 -0.29 -0.57 0.00 0.09 0.00 0.00 57.88 57.35 1yuu h LEU 63 Cb 0.09 0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.88 1yuu h LEU 63 CO -0.03 0.47 1.37 -0.67 0.09 0.00 0.00 178.44 179.67 1yuu n ASP 64 N -4.85 3.58 0.11 -0.43 -0.08 0.26 -4.85 116.55 110.30 1yuu n ASP 64 Ca -0.05 0.52 -0.03 0.00 -1.51 0.00 0.00 54.79 53.71 1yuu n ASP 64 Cb 0.20 -1.52 0.10 0.00 2.34 0.00 0.00 41.12 42.24 1yuu n ASP 64 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1yuu h VAL 65 N 6.48 1.48 0.20 5.18 2.07 -1.87 -3.15 116.25 126.64 1yuu h VAL 65 Ca -0.44 -2.34 -0.34 0.00 0.82 0.00 0.00 66.70 64.40 1yuu h VAL 65 Cb 1.25 2.26 0.02 0.00 -1.52 0.00 0.00 31.29 33.29 1yuu h VAL 65 CO 0.95 0.67 -1.64 0.78 0.02 0.00 0.00 177.57 178.36 1yuu h ASN 66 N 0.04 0.65 -4.77 0.57 4.21 -1.92 -3.49 115.58 110.86 1yuu h ASN 66 Ca -0.01 -0.93 -0.10 0.00 1.21 0.00 0.00 56.30 56.47 1yuu h ASN 66 Cb 1.23 -0.21 0.08 0.00 -1.12 0.00 0.00 38.32 38.30 1yuu h ASN 66 CO 0.09 1.75 -0.34 1.67 -1.29 0.00 0.00 177.43 179.31 1yuu n GLN 67 N -3.67 -1.34 0.00 0.81 7.27 -1.19 -5.09 117.38 114.17 1yuu n GLN 67 Ca -0.23 0.91 0.00 0.00 0.07 0.00 0.00 57.00 57.75 1yuu n GLN 67 Cb 1.06 -4.65 0.00 0.00 2.41 0.00 0.00 30.24 29.05 1yuu n GLN 67 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1yuu n ASP 68 N -2.22 0.00 -0.36 1.69 5.68 -1.26 -5.05 116.55 115.03 1yuu n ASP 68 Ca -0.03 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.27 1yuu n ASP 68 Cb 0.55 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.54 1yuu n ASP 68 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1yuu n SER 69 N 0.00 0.31 -3.79 -1.12 2.88 -1.26 -5.07 113.62 105.58 1yuu n SER 69 Ca 0.00 -1.97 -0.27 0.00 -1.33 0.00 0.00 58.87 55.30 1yuu n SER 69 Cb 0.00 -0.19 -0.17 0.00 -0.75 0.00 0.00 64.21 63.10 1yuu n SER 69 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1yuu s GLU 70 N -0.35 0.87 -1.04 -1.46 8.01 -1.26 -4.41 118.70 119.05 1yuu s GLU 70 Ca 0.04 -0.35 -0.20 0.00 0.01 0.00 0.00 54.97 54.46 1yuu s GLU 70 Cb 0.03 -1.86 0.09 0.00 -4.31 0.00 0.00 34.13 28.08 1yuu s GLU 70 CO 0.00 -0.52 1.37 -0.51 0.01 0.00 0.00 175.26 175.61 1yuu s LEU 71 N 1.81 4.24 0.91 1.80 2.01 0.22 -4.89 118.68 124.77 1yuu s LEU 71 Ca 0.01 -1.93 -0.13 0.00 0.01 0.00 0.00 54.13 52.09 1yuu s LEU 71 Cb -0.16 -2.49 0.06 0.00 0.01 0.00 0.00 46.19 43.61 1yuu s LEU 71 CO -0.07 -1.24 0.66 1.17 1.01 0.00 0.00 176.35 177.87 1yuu n LYS 72 N 7.69 -0.22 -0.33 1.70 3.00 -1.26 -0.58 118.16 128.17 1yuu n LYS 72 Ca 0.32 -0.01 0.01 0.00 -0.00 0.00 0.00 58.31 58.63 1yuu n LYS 72 Cb 0.49 -2.02 0.06 0.00 0.00 0.00 0.00 35.03 33.56 1yuu n LYS 72 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1yuu n PHE 73 N -3.59 0.10 -0.11 5.64 -0.00 -1.15 -0.00 117.46 118.35 1yuu n PHE 73 Ca 0.09 1.06 -0.14 0.00 -0.00 0.00 0.00 57.45 58.46 1yuu n PHE 73 Cb 0.53 -0.87 -0.03 0.00 -0.00 0.00 0.00 39.48 39.11 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 0.98 -0.31 -2.13 -0.73 -1.90 0.18 115.58 111.67 1yuu h ASN 74 Ca 0.33 -0.49 -0.04 0.00 1.87 0.00 0.00 56.30 57.98 1yuu h ASN 74 Cb 0.55 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 38.84 1yuu h ASN 74 CO -0.86 1.27 0.08 -0.33 -0.37 0.00 0.00 177.43 177.21 1yuu h GLU 75 N 0.71 0.58 -0.01 6.67 5.08 -0.73 -0.32 114.58 126.56 1yuu h GLU 75 Ca 0.05 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1yuu h GLU 75 Cb 1.02 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 30.18 1yuu h GLU 75 CO 0.10 0.54 -0.30 -0.92 -1.00 0.00 0.00 179.01 177.43 1yuu h TYR 76 N 0.56 0.31 -0.93 4.33 5.03 -0.39 -3.18 116.97 122.71 1yuu h TYR 76 Ca 0.13 -0.17 0.27 0.00 2.58 0.00 0.00 58.73 61.54 1yuu h TYR 76 Cb 0.24 -0.04 -0.16 0.00 1.55 0.00 0.00 36.73 38.33 1yuu h TYR 76 CO 0.01 0.97 0.26 2.35 -1.32 0.00 0.00 178.16 180.43 1yuu h TRP 77 N -0.43 0.38 -0.99 -3.82 2.91 -0.38 0.17 115.95 113.81 1yuu h TRP 77 Ca -0.04 0.05 0.18 0.00 1.13 0.00 0.00 58.89 60.22 1yuu h TRP 77 Cb 1.04 -0.02 -0.18 0.00 -0.51 0.00 0.00 29.16 29.50 1yuu h TRP 77 CO 0.17 -0.28 -0.30 0.54 -1.03 0.00 0.00 178.44 177.54 1yuu n ARG 78 N -5.27 -0.14 -0.30 2.65 1.74 -0.15 0.52 116.66 115.71 1yuu n ARG 78 Ca 0.25 1.53 0.08 0.00 -0.77 0.00 0.00 57.85 58.94 1yuu n ARG 78 Cb 0.80 -2.28 0.20 0.00 -1.02 0.00 0.00 32.46 30.16 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 -0.47 -0.29 0.55 5.85 -0.79 0.58 115.31 120.74 1yuu h LEU 79 Ca 0.43 0.24 -0.08 0.00 0.84 0.00 0.00 57.88 59.30 1yuu h LEU 79 Cb 0.67 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1yuu h LEU 79 CO -1.00 -0.26 -0.13 0.40 -0.34 0.00 0.00 178.44 177.12 1yuu h ILE 80 N 0.06 1.29 -0.68 4.05 5.03 -0.04 0.86 117.51 128.08 1yuu h ILE 80 Ca 0.48 -1.21 -0.00 0.00 -0.12 0.00 0.00 64.86 64.01 1yuu h ILE 80 Cb 0.89 1.47 -0.03 0.00 -3.03 0.00 0.00 36.82 36.11 1yuu h ILE 80 CO -0.80 0.39 0.42 1.23 -0.68 0.00 0.00 178.15 178.71 1yuu h GLY 81 N 0.34 0.98 0.20 5.37 0.00 0.14 0.17 103.07 110.28 1yuu h GLY 81 Ca 0.07 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1yuu h GLY 81 CO 0.04 0.38 -0.06 0.83 0.00 0.00 0.00 176.54 177.73 1yuu h GLU 82 N 0.93 -0.16 -0.44 4.80 4.39 0.14 -2.93 114.58 121.31 1yuu h GLU 82 Ca 0.25 0.01 0.08 0.00 0.34 0.00 0.00 59.36 60.04 1yuu h GLU 82 Cb -0.06 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 1yuu h GLU 82 CO -0.05 0.21 0.30 1.37 -1.16 0.00 0.00 179.01 179.68 1yuu h LEU 83 N -0.97 0.23 -2.10 1.33 8.10 -0.74 0.19 115.31 121.35 1yuu h LEU 83 Ca -0.02 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.96 1yuu h LEU 83 Cb 0.44 -0.05 -0.00 0.00 -0.44 0.00 0.00 40.66 40.62 1yuu h LEU 83 CO 0.03 0.14 -0.08 0.00 -4.11 0.00 0.00 178.44 174.42 1yuu h ALA 84 N 1.77 1.38 0.17 0.17 0.00 -0.62 -0.03 119.26 122.10 1yuu h ALA 84 Ca 0.20 -0.07 -0.32 0.00 0.00 0.00 0.00 54.91 54.72 1yuu h ALA 84 Cb 0.47 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1yuu h ALA 84 CO -0.04 0.10 -1.57 1.57 0.00 0.00 0.00 179.25 179.31 1yuu h LYS 85 N 0.00 0.36 -0.99 0.00 -0.00 -0.70 -3.41 116.57 111.83 1yuu h LYS 85 Ca -0.00 -0.62 0.16 0.00 -0.00 0.00 0.00 60.65 60.19 1yuu h LYS 85 Cb 0.22 0.23 -0.09 0.00 -0.00 0.00 0.00 32.23 32.58 1yuu h LYS 85 CO 0.01 1.30 0.62 0.93 -0.00 0.00 0.00 179.45 182.30 1yuu h GLU 86 N -0.04 0.81 -0.34 0.07 4.39 0.94 0.30 114.58 120.71 1yuu h GLU 86 Ca -0.31 -0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.41 1yuu h GLU 86 Cb 1.98 -0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 30.38 1yuu h GLU 86 CO 0.15 0.53 -0.09 1.51 -1.16 0.00 0.00 179.01 179.95 1yuu n ILE 87 N -4.67 -0.15 -0.03 3.13 0.13 -0.19 0.19 119.36 117.77 1yuu n ILE 87 Ca 0.21 0.79 -0.05 0.00 -1.10 0.00 0.00 62.75 62.60 1yuu n ILE 87 Cb 0.48 -1.09 -0.03 0.00 -0.84 0.00 0.00 39.64 38.17 1yuu n ILE 87 CO 0.00 0.00 0.00 -2.11 2.80 0.00 0.00 176.55 177.24 1yuu n ARG 88 N -4.55 0.15 0.05 9.51 1.85 0.48 -2.92 116.66 121.23 1yuu n ARG 88 Ca 0.05 0.04 -0.11 0.00 -1.00 0.00 0.00 57.85 56.83 1yuu n ARG 88 Cb 0.17 -1.02 -0.05 0.00 -1.05 0.00 0.00 32.46 30.51 1yuu n ARG 88 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 1yuu h LYS 89 N -0.06 -0.39 -0.01 2.89 3.64 -0.53 0.39 116.57 122.50 1yuu h LYS 89 Ca -0.15 0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 59.04 1yuu h LYS 89 Cb 1.20 0.09 0.02 0.00 -0.41 0.00 0.00 32.23 33.12 1yuu h LYS 89 CO -0.04 -0.26 -0.86 -0.22 -2.27 0.00 0.00 179.45 175.79 1yuu h LYS 90 N -0.41 0.60 -1.74 1.90 3.11 -0.42 -3.42 116.57 116.19 1yuu h LYS 90 Ca 0.07 -0.63 -0.46 0.00 -2.81 0.00 0.00 60.65 56.82 1yuu h LYS 90 Cb 0.50 0.18 -0.40 0.00 -1.00 0.00 0.00 32.23 31.51 1yuu h LYS 90 CO -0.24 1.24 -1.16 0.36 -2.81 0.00 0.00 179.45 176.84 1yuu n LYS 91 N -4.00 1.21 -4.45 1.90 2.85 0.36 -4.96 118.16 111.07 1yuu n LYS 91 Ca -0.11 -3.46 -0.24 0.00 -1.05 0.00 0.00 58.31 53.46 1yuu n LYS 91 Cb 0.80 -1.63 -0.17 0.00 -0.65 0.00 0.00 35.03 33.38 1yuu n LYS 91 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1yuu s ASP 92 N -2.70 1.62 0.00 -5.58 1.47 0.14 -4.55 116.67 107.06 1yuu s ASP 92 Ca 0.37 -0.26 0.00 0.00 1.18 0.00 0.00 52.55 53.84 1yuu s ASP 92 Cb 0.38 -0.74 0.00 0.00 -0.34 0.00 0.00 42.92 42.21 1yuu s ASP 92 CO -0.05 0.00 0.00 0.00 0.68 0.00 0.00 175.17 175.80 1yuu n LEU 93 N 3.94 -0.16 0.00 2.11 -0.00 -1.26 -4.74 117.00 116.88 1yuu n LEU 93 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.78 1yuu n LEU 93 Cb 0.51 -0.20 0.00 0.00 -0.00 0.00 0.00 43.42 43.73 1yuu n LEU 93 CO 0.24 0.00 0.00 1.17 -0.00 0.00 0.00 177.39 178.80 1yuu n LYS 94 N -1.84 0.00 -1.64 1.47 4.81 -1.26 -5.07 118.16 114.63 1yuu n LYS 94 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 1yuu n LYS 94 Cb 0.08 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.05 1yuu n LYS 94 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1yuu s ILE 95 N -0.87 3.07 0.00 3.15 -1.09 -1.26 -3.58 121.20 120.62 1yuu s ILE 95 Ca 0.00 -0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.34 1yuu s ILE 95 Cb 0.00 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.41 1yuu s ILE 95 CO 0.00 -0.14 0.00 0.54 -1.23 0.00 0.00 174.94 174.11 1yuu n ARG 96 N 8.59 0.00 0.00 2.79 1.74 -1.26 -2.54 116.66 125.98 1yuu n ARG 96 Ca 0.44 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1yuu n ARG 96 Cb 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.89 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 0.00 0.00 0.00 5.56 5.02 -1.23 -5.18 118.16 122.33 1yuu n LYS 97 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 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 1.63 -0.52 0.00 0.00 177.40 178.51