#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yuu n ALA 2 N 0.00 0.22 -0.85 3.04 0.00 -1.26 -5.13 120.51 116.54 1yuu n ALA 2 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1yuu n ALA 2 Cb 0.00 0.75 0.00 0.00 0.00 0.00 0.00 19.45 20.20 1yuu n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yuu n ALA 3 N -1.86 -1.69 -3.63 0.00 0.00 -1.26 -5.17 120.51 106.90 1yuu n ALA 3 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 1yuu n ALA 3 Cb 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.29 0.02 0.72 0.00 2.02 -1.26 -5.20 118.70 114.71 1yuu s GLU 4 Ca 0.00 -0.01 -0.05 0.00 0.02 0.00 0.00 54.97 54.93 1yuu s GLU 4 Cb 0.00 0.01 0.10 0.00 0.10 0.00 0.00 34.13 34.33 1yuu s GLU 4 CO 0.00 -0.01 1.01 -1.25 0.02 0.00 0.00 175.26 175.04 1yuu s PRO 5 N -2.02 1.87 0.15 0.39 0.04 -1.26 -5.12 135.00 129.05 1yuu s PRO 5 Ca 0.12 -0.63 -0.24 0.00 0.04 0.00 0.00 61.00 60.30 1yuu s PRO 5 Cb 0.00 -2.22 0.08 0.00 0.04 0.00 0.00 34.50 32.40 1yuu s PRO 5 CO -0.03 -1.39 1.06 -0.48 0.04 0.00 0.00 177.00 176.21 1yuu s LEU 6 N -5.23 -0.03 0.00 -3.56 0.05 -1.26 -5.13 118.68 103.52 1yuu s LEU 6 Ca 0.64 -0.55 -0.11 0.00 0.05 0.00 0.00 54.13 54.15 1yuu s LEU 6 Cb -0.08 1.99 0.15 0.00 -2.05 0.00 0.00 46.19 46.20 1yuu s LEU 6 CO 0.45 -0.87 0.89 1.07 -0.55 0.00 0.00 176.35 177.34 1yuu n THR 7 N -0.66 0.00 0.11 5.48 5.66 -1.26 -4.59 114.28 119.02 1yuu n THR 7 Ca -0.03 -0.65 -0.04 0.00 -3.05 0.00 0.00 64.05 60.28 1yuu n THR 7 Cb 0.60 -1.65 -0.02 0.00 -1.55 0.00 0.00 70.33 67.71 1yuu n THR 7 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1yuu h GLU 8 N 0.00 -0.27 -0.73 1.09 4.81 -2.03 0.61 114.58 118.06 1yuu h GLU 8 Ca -0.29 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.11 1yuu h GLU 8 Cb 0.80 0.06 -0.10 0.00 0.63 0.00 0.00 28.75 30.14 1yuu h GLU 8 CO 0.20 -0.18 0.21 -0.07 -0.73 0.00 0.00 179.01 178.44 1yuu h LEU 9 N -0.32 0.08 -1.26 1.64 3.38 -1.99 0.12 115.31 116.96 1yuu h LEU 9 Ca -0.03 0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.15 1yuu h LEU 9 Cb 0.22 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 1yuu h LEU 9 CO 0.05 0.00 0.54 -0.33 0.09 0.00 0.00 178.44 178.79 1yuu h GLU 10 N 0.31 0.84 -0.04 1.13 5.08 -1.87 -1.36 114.58 118.68 1yuu h GLU 10 Ca 0.41 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.57 1yuu h GLU 10 Cb 0.67 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.74 1yuu h GLU 10 CO -0.47 0.56 -0.53 1.05 -1.00 0.00 0.00 179.01 178.61 1yuu h GLU 11 N 0.86 0.44 -0.40 2.33 -0.00 0.24 -2.88 114.58 115.17 1yuu h GLU 11 Ca 0.37 -0.41 0.04 0.00 -0.00 0.00 0.00 59.36 59.35 1yuu h GLU 11 Cb 0.31 0.10 -0.04 0.00 -0.00 0.00 0.00 28.75 29.12 1yuu h GLU 11 CO -0.14 1.06 0.18 1.03 -0.00 0.00 0.00 179.01 181.14 1yuu h SER 12 N -0.04 0.24 0.57 3.06 0.87 -0.44 0.41 113.55 118.21 1yuu h SER 12 Ca -0.05 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1yuu h SER 12 Cb 1.21 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1yuu h SER 12 CO 0.11 0.18 0.00 0.16 -0.53 0.00 0.00 176.83 176.74 1yuu h ILE 13 N 0.36 0.00 0.18 2.23 -0.00 -1.34 -2.61 117.51 116.33 1yuu h ILE 13 Ca 0.18 -0.27 -0.01 0.00 -0.00 0.00 0.00 64.86 64.76 1yuu h ILE 13 Cb 0.11 1.19 0.00 0.00 -0.00 0.00 0.00 36.82 38.13 1yuu h ILE 13 CO -0.15 0.00 -0.08 -0.08 -0.00 0.00 0.00 178.15 177.84 1yuu h GLU 14 N 0.00 -0.23 -0.86 0.16 4.22 -0.14 -3.23 114.58 114.50 1yuu h GLU 14 Ca 0.00 0.02 0.21 0.00 0.08 0.00 0.00 59.36 59.67 1yuu h GLU 14 Cb 0.28 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 29.46 1yuu h GLU 14 CO 0.00 0.12 0.30 0.00 -2.18 0.00 0.00 179.01 177.25 1yuu h THR 15 N -0.96 0.43 -0.33 0.32 1.03 -0.24 0.61 112.91 113.77 1yuu h THR 15 Ca -0.02 -0.11 -0.14 0.00 -0.01 0.00 0.00 66.41 66.13 1yuu h THR 15 Cb 0.46 0.09 -0.01 0.00 -1.07 0.00 0.00 68.15 67.62 1yuu h THR 15 CO 0.04 0.06 -0.37 -0.37 -0.01 0.00 0.00 175.52 174.87 1yuu h VAL 16 N 0.31 1.28 -0.59 0.00 -1.51 -1.73 -0.55 116.25 113.47 1yuu h VAL 16 Ca 0.53 -1.53 -0.04 0.00 -1.23 0.00 0.00 66.70 64.42 1yuu h VAL 16 Cb 1.00 1.42 -0.03 0.00 -2.13 0.00 0.00 31.29 31.56 1yuu h VAL 16 CO -0.56 0.50 0.21 0.58 -1.23 0.00 0.00 177.57 177.07 1yuu h VAL 17 N 0.63 1.24 -0.34 7.19 2.07 0.03 0.23 116.25 127.31 1yuu h VAL 17 Ca 0.06 -0.77 -0.12 0.00 0.82 0.00 0.00 66.70 66.69 1yuu h VAL 17 Cb 0.91 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1yuu h VAL 17 CO 0.08 0.30 -0.28 0.00 0.02 0.00 0.00 177.57 177.69 1yuu h THR 18 N 0.83 1.28 0.20 2.57 1.03 -0.48 0.15 112.91 118.49 1yuu h THR 18 Ca 0.19 -1.40 0.01 0.00 -0.01 0.00 0.00 66.41 65.21 1yuu h THR 18 Cb 0.25 1.32 -0.04 0.00 -1.07 0.00 0.00 68.15 68.61 1yuu h THR 18 CO -0.01 0.46 -0.41 0.74 -0.01 0.00 0.00 175.52 176.28 1yuu h THR 19 N 0.60 0.17 -0.88 0.00 2.02 -0.79 0.45 112.91 114.48 1yuu h THR 19 Ca 0.07 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.38 1yuu h THR 19 Cb 0.78 0.17 -0.14 0.00 -1.74 0.00 0.00 68.15 67.22 1yuu h THR 19 CO 0.06 0.00 -0.43 0.15 0.37 0.00 0.00 175.52 175.68 1yuu h PHE 20 N -0.70 -1.24 0.21 3.16 3.04 -0.76 -1.48 116.94 119.17 1yuu h PHE 20 Ca 0.01 0.10 -0.00 0.00 3.98 0.00 0.00 57.97 62.06 1yuu h PHE 20 Cb 0.69 0.67 -0.01 0.00 2.56 0.00 0.00 35.95 39.86 1yuu h PHE 20 CO -0.32 -0.40 -0.17 0.35 -2.02 0.00 0.00 178.31 175.74 1yuu h PHE 21 N -0.06 -0.46 0.04 0.41 3.57 -0.07 0.28 116.94 120.65 1yuu h PHE 21 Ca 0.27 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.79 1yuu h PHE 21 Cb 0.55 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 1yuu h PHE 21 CO -0.84 -0.27 -0.18 1.79 -2.23 0.00 0.00 178.31 176.58 1yuu h THR 22 N -0.40 0.57 -0.20 4.41 1.35 -0.43 -0.68 112.91 117.53 1yuu h THR 22 Ca -0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1yuu h THR 22 Cb 0.36 0.57 -0.01 0.00 -1.73 0.00 0.00 68.15 67.34 1yuu h THR 22 CO -0.02 0.00 0.11 -0.26 -0.25 0.00 0.00 175.52 175.10 1yuu h PHE 23 N -0.32 0.27 -0.36 4.73 -1.00 -1.13 -2.90 116.94 116.23 1yuu h PHE 23 Ca 0.04 -0.01 0.11 0.00 2.81 0.00 0.00 57.97 60.92 1yuu h PHE 23 Cb 0.37 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.83 1yuu h PHE 23 CO -0.21 0.25 0.27 0.00 -1.61 0.00 0.00 178.31 177.01 1yuu h ALA 24 N 1.00 2.31 0.00 2.45 0.00 -0.06 0.18 119.26 125.15 1yuu h ALA 24 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1yuu h ALA 24 Cb 0.06 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1yuu h ALA 24 CO -0.01 -0.46 0.00 -0.09 0.00 0.00 0.00 179.25 178.69 1yuu h ARG 25 N 0.00 0.00 0.40 0.00 1.12 -0.91 -3.30 114.38 111.69 1yuu h ARG 25 Ca 0.17 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 59.02 1yuu h ARG 25 Cb 0.71 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.67 1yuu h ARG 25 CO -0.00 0.00 -0.24 0.37 -3.11 0.00 0.00 179.97 176.99 1yuu h GLN 26 N 0.00 -0.58 0.00 0.20 5.75 -1.10 -3.43 115.11 115.95 1yuu h GLN 26 Ca 0.00 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1yuu h GLN 26 Cb 0.08 0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.77 1yuu h GLN 26 CO 0.00 -0.39 0.00 0.39 -2.65 0.00 0.00 178.83 176.18 1yuu n GLU 27 N -3.82 0.00 -3.05 1.69 1.02 -1.26 -4.94 120.64 110.29 1yuu n GLU 27 Ca -0.07 0.06 -0.22 0.00 -0.02 0.00 0.00 57.16 56.91 1yuu n GLU 27 Cb 0.25 -0.41 0.01 0.00 -0.02 0.00 0.00 31.44 31.27 1yuu n GLU 27 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1yuu s GLY 28 N -1.30 1.59 -0.14 0.62 0.00 -1.26 -5.08 107.32 101.75 1yuu s GLY 28 Ca 0.00 -1.14 -0.08 0.00 0.00 0.00 0.00 44.72 43.50 1yuu s GLY 28 CO 0.00 -0.98 0.16 0.54 0.00 0.00 0.00 173.10 172.82 1yuu n ARG 29 N -2.02 -3.47 -0.87 2.90 5.12 -1.26 -4.59 116.66 112.47 1yuu n ARG 29 Ca 0.01 2.71 -0.26 0.00 -1.93 0.00 0.00 57.85 58.38 1yuu n ARG 29 Cb 0.58 -3.75 -0.02 0.00 -1.16 0.00 0.00 32.46 28.11 1yuu n ARG 29 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1yuu n LYS 30 N 1.88 2.34 0.17 5.56 2.85 -1.24 -2.85 118.16 126.87 1yuu n LYS 30 Ca -0.27 -1.62 0.00 0.00 -1.05 0.00 0.00 58.31 55.37 1yuu n LYS 30 Cb 0.43 -2.55 0.00 0.00 -0.65 0.00 0.00 35.03 32.26 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 4.30 -3.10 -4.75 -5.58 5.68 -1.26 -4.75 116.55 107.09 1yuu n ASP 31 Ca 0.51 0.76 -0.42 0.00 -0.50 0.00 0.00 54.79 55.14 1yuu n ASP 31 Cb 0.16 3.00 -0.00 0.00 -1.14 0.00 0.00 41.12 43.14 1yuu n ASP 31 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1yuu n SER 32 N -3.26 3.60 -4.30 -1.12 3.41 -1.13 -4.65 113.62 106.17 1yuu n SER 32 Ca 0.00 1.21 -0.44 0.00 -0.26 0.00 0.00 58.87 59.38 1yuu n SER 32 Cb 0.00 -1.59 -0.07 0.00 -0.26 0.00 0.00 64.21 62.30 1yuu n SER 32 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1yuu s LEU 33 N -1.52 5.88 0.84 1.04 1.02 0.12 -4.53 118.68 121.54 1yuu s LEU 33 Ca 0.56 -1.70 -0.10 0.00 0.02 0.00 0.00 54.13 52.91 1yuu s LEU 33 Cb -0.50 -2.14 0.15 0.00 0.02 0.00 0.00 46.19 43.72 1yuu s LEU 33 CO 0.60 -0.75 1.17 -0.94 0.02 0.00 0.00 176.35 176.45 1yuu s SER 34 N 3.07 3.83 -0.57 2.29 1.04 -1.26 -0.83 113.70 121.27 1yuu s SER 34 Ca 0.04 0.15 -0.04 0.00 0.48 0.00 0.00 55.95 56.58 1yuu s SER 34 Cb -0.27 -0.42 0.10 0.00 0.10 0.00 0.00 66.02 65.52 1yuu s SER 34 CO 0.03 -2.25 2.66 0.55 0.98 0.00 0.00 173.24 175.21 1yuu n VAL 35 N -3.34 3.54 -2.73 5.02 3.14 -1.26 -0.67 118.33 122.04 1yuu n VAL 35 Ca 0.14 -3.26 -0.08 0.00 -2.96 0.00 0.00 64.34 58.17 1yuu n VAL 35 Cb 0.60 -1.60 0.09 0.00 -1.06 0.00 0.00 33.84 31.87 1yuu n VAL 35 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1yuu n ASN 36 N 0.80 -1.43 0.12 6.55 2.85 -1.26 -4.65 115.26 118.24 1yuu n ASN 36 Ca 0.50 -2.81 0.00 0.00 -0.11 0.00 0.00 54.58 52.17 1yuu n ASN 36 Cb 0.49 0.94 0.00 0.00 1.24 0.00 0.00 39.78 42.46 1yuu n ASN 36 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1yuu n GLU 37 N -0.27 0.00 0.36 1.20 1.02 -1.03 -4.57 120.64 117.36 1yuu n GLU 37 Ca 0.02 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.99 1yuu n GLU 37 Cb 0.80 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 32.14 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 -0.84 -0.86 -0.32 3.04 -1.16 -2.48 116.94 114.32 1yuu h PHE 38 Ca 0.00 -0.02 0.03 0.00 3.98 0.00 0.00 57.97 61.96 1yuu h PHE 38 Cb 0.00 0.28 -0.05 0.00 2.56 0.00 0.00 35.95 38.74 1yuu h PHE 38 CO 0.00 -0.49 0.56 -0.22 -2.02 0.00 0.00 178.31 176.14 1yuu h LYS 39 N -1.04 1.08 -0.93 1.11 3.64 -1.83 0.13 116.57 118.74 1yuu h LYS 39 Ca -0.09 -0.06 0.23 0.00 -1.27 0.00 0.00 60.65 59.45 1yuu h LYS 39 Cb 0.73 -0.24 -0.13 0.00 -0.41 0.00 0.00 32.23 32.18 1yuu h LYS 39 CO 0.15 0.71 0.45 0.93 -2.27 0.00 0.00 179.45 179.42 1yuu h GLU 40 N 1.11 0.42 0.21 1.90 5.08 -1.85 0.16 114.58 121.60 1yuu h GLU 40 Ca 0.33 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1yuu h GLU 40 Cb -0.04 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1yuu h GLU 40 CO -0.10 0.28 -0.10 1.25 -1.00 0.00 0.00 179.01 179.34 1yuu h LEU 41 N 0.44 -0.23 -0.07 1.33 5.85 -0.25 0.13 115.31 122.50 1yuu h LEU 41 Ca 0.59 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 59.17 1yuu h LEU 41 Cb 1.13 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 1yuu h LEU 41 CO -0.52 -0.02 -0.04 -0.37 -0.34 0.00 0.00 178.44 177.15 1yuu h VAL 42 N -0.44 1.33 0.25 1.05 -1.51 -1.25 0.53 116.25 116.22 1yuu h VAL 42 Ca -0.03 -1.06 0.00 0.00 -1.23 0.00 0.00 66.70 64.38 1yuu h VAL 42 Cb 0.33 1.89 -0.02 0.00 -2.13 0.00 0.00 31.29 31.37 1yuu h VAL 42 CO 0.05 0.29 -0.27 0.74 -1.23 0.00 0.00 177.57 177.15 1yuu h THR 43 N -0.24 0.43 0.00 7.19 2.02 -1.00 -3.30 112.91 118.01 1yuu h THR 43 Ca 0.02 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 1yuu h THR 43 Cb 0.49 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1yuu h THR 43 CO 0.01 0.00 -0.04 -0.61 0.37 0.00 0.00 175.52 175.25 1yuu h GLN 44 N -0.56 0.00 0.04 6.66 4.15 -0.72 -3.43 115.11 121.25 1yuu h GLN 44 Ca -0.00 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.34 1yuu h GLN 44 Cb 0.52 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.21 1yuu h GLN 44 CO -0.07 0.06 -0.37 0.37 -1.93 0.00 0.00 178.83 176.89 1yuu h GLN 45 N -1.00 0.08 0.00 1.69 5.75 -1.02 -3.37 115.11 117.24 1yuu h GLN 45 Ca -0.00 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.35 1yuu h GLN 45 Cb 0.10 0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.69 1yuu h GLN 45 CO -0.00 1.06 -0.11 -0.07 -2.65 0.00 0.00 178.83 177.07 1yuu h LEU 46 N -0.83 0.00 -0.20 -2.39 4.07 -1.61 -3.46 115.31 110.89 1yuu h LEU 46 Ca -0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.88 1yuu h LEU 46 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1yuu h LEU 46 CO 0.01 0.11 0.00 -0.81 -1.08 0.00 0.00 178.44 176.67 1yuu n PRO 47 N -3.60 0.02 -0.07 1.13 -0.04 -1.26 -1.53 135.00 129.65 1yuu n PRO 47 Ca -0.02 0.48 -0.14 0.00 -0.04 0.00 0.00 63.50 63.78 1yuu n PRO 47 Cb 0.23 -1.57 -0.14 0.00 -0.04 0.00 0.00 33.50 31.98 1yuu n PRO 47 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1yuu n HIS 48 N -1.61 0.47 0.10 0.54 -0.00 -1.26 -4.32 115.22 109.14 1yuu n HIS 48 Ca 0.00 0.13 -0.06 0.00 -0.00 0.00 0.00 57.72 57.79 1yuu n HIS 48 Cb 0.04 -1.07 -0.03 0.00 -0.00 0.00 0.00 29.99 28.92 1yuu n HIS 48 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1yuu h LEU 49 N 0.01 -0.48-10.15 0.27 5.85 -1.67 -3.37 115.31 105.78 1yuu h LEU 49 Ca -0.48 0.04 -0.51 0.00 0.84 0.00 0.00 57.88 57.77 1yuu h LEU 49 Cb 2.06 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 43.24 1yuu h LEU 49 CO 0.02 -0.23 -0.12 -0.76 -0.34 0.00 0.00 178.44 177.00 1yuu s LEU 50 N -6.40 4.00 0.00 2.25 1.43 -1.26 -4.98 118.68 113.71 1yuu s LEU 50 Ca -0.06 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.72 1yuu s LEU 50 Cb 0.01 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.71 1yuu s LEU 50 CO 0.21 -0.26 0.00 2.29 0.23 0.00 0.00 176.35 178.82 1yuu n LYS 51 N -1.25 0.00 -2.85 1.70 0.00 -1.26 -4.59 118.16 109.90 1yuu n LYS 51 Ca -0.02 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.08 1yuu n LYS 51 Cb 0.54 0.00 0.01 0.00 -0.00 0.00 0.00 35.03 35.59 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 -1.02 -5.52 0.10 -5.58 8.00 -1.26 -4.84 116.55 106.43 1yuu n ASP 52 Ca 0.00 -0.18 0.16 0.00 0.71 0.00 0.00 54.79 55.47 1yuu n ASP 52 Cb 0.00 -4.52 0.67 0.00 -0.02 0.00 0.00 41.12 37.25 1yuu n ASP 52 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1yuu h VAL 53 N -0.84 0.83 -0.94 2.53 -1.51 -1.93 -0.38 116.25 114.01 1yuu h VAL 53 Ca -0.48 0.00 0.26 0.00 -1.23 0.00 0.00 66.70 65.24 1yuu h VAL 53 Cb 1.34 0.84 -0.17 0.00 -2.13 0.00 0.00 31.29 31.16 1yuu h VAL 53 CO 0.55 0.00 0.05 1.23 -1.23 0.00 0.00 177.57 178.17 1yuu h GLY 54 N 0.00 1.22 -2.74 5.19 0.00 -1.99 -0.06 103.07 104.68 1yuu h GLY 54 Ca 0.16 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1yuu h GLY 54 CO -0.00 -0.47 0.00 -1.26 0.00 0.00 0.00 176.54 174.81 1yuu n SER 55 N -5.44 4.24 -0.32 0.19 2.88 -0.15 -4.56 113.62 110.46 1yuu n SER 55 Ca 0.22 -2.63 0.24 0.00 -1.33 0.00 0.00 58.87 55.37 1yuu n SER 55 Cb 0.72 -0.62 0.46 0.00 -0.75 0.00 0.00 64.21 64.01 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 2.77 0.23 -0.73 2.46 7.12 -1.14 -0.18 115.31 125.84 1yuu h LEU 56 Ca 0.00 0.23 0.23 0.00 0.13 0.00 0.00 57.88 58.47 1yuu h LEU 56 Cb 1.50 0.25 -0.13 0.00 -0.53 0.00 0.00 40.66 41.75 1yuu h LEU 56 CO 0.33 -0.27 0.13 0.47 -0.13 0.00 0.00 178.44 178.97 1yuu n ASP 57 N -5.21 0.02 -0.16 1.25 9.92 -1.26 0.41 116.55 121.51 1yuu n ASP 57 Ca 0.31 1.23 -0.09 0.00 -0.53 0.00 0.00 54.79 55.71 1yuu n ASP 57 Cb 1.01 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 40.99 1yuu n ASP 57 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1yuu h GLU 58 N 0.00 0.77 -0.33 -1.24 4.11 -1.41 -0.78 114.58 115.70 1yuu h GLU 58 Ca 0.50 -0.21 -0.05 0.00 0.07 0.00 0.00 59.36 59.68 1yuu h GLU 58 Cb 1.14 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1yuu h GLU 58 CO -0.65 0.78 0.03 0.87 0.07 0.00 0.00 179.01 180.11 1yuu h LYS 59 N 0.64 0.56 -0.51 1.06 1.79 -0.18 0.15 116.57 120.08 1yuu h LYS 59 Ca 0.14 -0.16 0.10 0.00 -2.18 0.00 0.00 60.65 58.55 1yuu h LYS 59 Cb 0.38 -0.06 -0.10 0.00 -1.58 0.00 0.00 32.23 30.87 1yuu h LYS 59 CO 0.01 0.67 -0.30 1.98 -1.08 0.00 0.00 179.45 180.72 1yuu h MET 60 N 0.38 -0.17 -0.85 3.15 4.05 -0.55 0.30 114.93 121.24 1yuu h MET 60 Ca 0.10 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.51 1yuu h MET 60 Cb 0.39 0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.19 1yuu h MET 60 CO 0.01 -0.11 0.48 0.87 0.23 0.00 0.00 176.91 178.39 1yuu h LYS 61 N -0.17 1.18 -0.73 0.39 1.57 -0.68 0.14 116.57 118.26 1yuu h LYS 61 Ca 0.22 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1yuu h LYS 61 Cb 0.53 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1yuu h LYS 61 CO -0.61 0.86 0.41 1.03 -0.57 0.00 0.00 179.45 180.56 1yuu h SER 62 N 1.19 0.91 0.04 0.86 0.87 0.16 -3.34 113.55 114.24 1yuu h SER 62 Ca 0.30 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1yuu h SER 62 Cb 0.01 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1yuu h SER 62 CO -0.05 0.74 -0.02 -0.07 -0.53 0.00 0.00 176.83 176.91 1yuu h LEU 63 N 1.01 -0.04 0.00 2.23 3.38 0.45 -3.39 115.31 118.96 1yuu h LEU 63 Ca 0.26 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1yuu h LEU 63 Cb 0.03 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1yuu h LEU 63 CO -0.04 0.71 0.01 -0.67 0.09 0.00 0.00 178.44 178.54 1yuu n ASP 64 N -4.73 0.00 0.21 -0.43 2.03 0.39 -4.81 116.55 109.21 1yuu n ASP 64 Ca -0.07 0.43 0.00 0.00 0.52 0.00 0.00 54.79 55.67 1yuu n ASP 64 Cb 0.30 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 1yuu n ASP 64 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1yuu n VAL 65 N -1.43 0.00 0.21 5.18 0.24 -1.26 -0.73 118.33 120.54 1yuu n VAL 65 Ca 0.00 0.66 0.13 0.00 -2.04 0.00 0.00 64.34 63.10 1yuu n VAL 65 Cb 0.01 -1.35 0.74 0.00 -1.47 0.00 0.00 33.84 31.77 1yuu n VAL 65 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1yuu h ASN 66 N 0.00 0.00 -5.47 -1.34 -1.07 -1.93 -3.48 115.58 102.29 1yuu h ASN 66 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 56.30 56.17 1yuu h ASN 66 Cb 1.33 0.00 0.15 0.00 -2.07 0.00 0.00 38.32 37.72 1yuu h ASN 66 CO 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 177.43 176.83 1yuu n GLN 67 N -4.23 -1.99 -0.00 4.14 6.02 0.10 -4.97 117.38 116.45 1yuu n GLN 67 Ca 0.00 0.99 0.09 0.00 -0.01 0.00 0.00 57.00 58.07 1yuu n GLN 67 Cb 0.23 -5.72 -0.12 0.00 1.02 0.00 0.00 30.24 25.64 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 -2.87 0.82 -0.55 1.08 5.68 -1.26 -5.01 116.55 114.44 1yuu n ASP 68 Ca -0.06 -0.43 -0.07 0.00 -0.50 0.00 0.00 54.79 53.74 1yuu n ASP 68 Cb 0.59 1.45 -0.02 0.00 -1.14 0.00 0.00 41.12 42.00 1yuu n ASP 68 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1yuu n SER 69 N -1.80 -3.55 -3.85 -1.12 7.64 -1.26 -5.02 113.62 104.66 1yuu n SER 69 Ca -0.00 0.13 -0.29 0.00 1.01 0.00 0.00 58.87 59.72 1yuu n SER 69 Cb 0.39 -1.86 -0.16 0.00 -1.01 0.00 0.00 64.21 61.56 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 -2.89 1.19 -0.55 1.43 2.02 -1.26 -4.28 118.70 114.37 1yuu s GLU 70 Ca 0.00 -0.76 -0.28 0.00 0.02 0.00 0.00 54.97 53.95 1yuu s GLU 70 Cb 0.00 -2.38 0.02 0.00 0.10 0.00 0.00 34.13 31.87 1yuu s GLU 70 CO 0.00 -0.63 1.31 -0.51 0.02 0.00 0.00 175.26 175.46 1yuu s LEU 71 N 1.59 3.46 0.00 1.80 2.01 -0.01 -4.81 118.68 122.71 1yuu s LEU 71 Ca -0.03 0.29 -0.08 0.00 0.01 0.00 0.00 54.13 54.32 1yuu s LEU 71 Cb -0.18 -3.19 0.16 0.00 0.01 0.00 0.00 46.19 43.00 1yuu s LEU 71 CO -0.07 -1.56 1.03 2.29 1.01 0.00 0.00 176.35 179.04 1yuu n LYS 72 N 8.46 -0.63 -2.36 1.70 2.85 -1.26 -0.70 118.16 126.22 1yuu n LYS 72 Ca 0.11 -2.04 -0.36 0.00 -1.05 0.00 0.00 58.31 54.97 1yuu n LYS 72 Cb 0.49 -0.91 -0.03 0.00 -0.65 0.00 0.00 35.03 33.93 1yuu n LYS 72 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1yuu s PHE 73 N -3.13 2.38 0.00 5.58 0.08 -1.26 -1.01 117.98 120.61 1yuu s PHE 73 Ca 0.62 -0.61 0.00 0.00 0.12 0.00 0.00 56.93 57.06 1yuu s PHE 73 Cb -0.02 -4.43 0.00 0.00 -0.57 0.00 0.00 43.02 37.99 1yuu s PHE 73 CO 0.42 -1.62 0.00 -1.71 -0.10 0.00 0.00 175.22 172.21 1yuu n ASN 74 N 10.98 -0.35 -0.06 1.36 4.05 -1.26 -4.96 115.26 125.01 1yuu n ASN 74 Ca 0.44 0.00 -0.04 0.00 0.45 0.00 0.00 54.58 55.43 1yuu n ASN 74 Cb 0.47 -0.09 -0.01 0.00 1.23 0.00 0.00 39.78 41.38 1yuu n ASN 74 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 1yuu h GLU 75 N 0.00 0.00 -0.94 1.20 5.08 -1.41 -3.45 114.58 115.07 1yuu h GLU 75 Ca 0.00 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.51 1yuu h GLU 75 Cb 0.17 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.27 1yuu h GLU 75 CO 0.00 0.00 -0.35 0.98 -1.00 0.00 0.00 179.01 178.64 1yuu n TYR 76 N -4.40 0.06 -0.37 4.33 9.36 -0.92 -1.75 117.16 123.47 1yuu n TYR 76 Ca -0.06 1.15 0.29 0.00 3.32 0.00 0.00 57.90 62.60 1yuu n TYR 76 Cb 0.23 -0.87 0.55 0.00 -0.63 0.00 0.00 39.34 38.62 1yuu n TYR 76 CO 0.00 0.00 0.00 2.35 0.22 0.00 0.00 176.86 179.43 1yuu h TRP 77 N 0.00 0.76 -0.94 2.98 7.01 -1.87 0.23 115.95 124.12 1yuu h TRP 77 Ca 0.34 0.03 0.22 0.00 2.11 0.00 0.00 58.89 61.59 1yuu h TRP 77 Cb 0.57 -0.19 -0.18 0.00 -2.10 0.00 0.00 29.16 27.26 1yuu h TRP 77 CO -0.81 -0.22 -0.14 0.54 -2.79 0.00 0.00 178.44 175.02 1yuu n ARG 78 N -4.94 -0.08 -0.16 2.65 5.12 -0.72 -0.85 116.66 117.68 1yuu n ARG 78 Ca 0.34 1.45 -0.02 0.00 -1.93 0.00 0.00 57.85 57.69 1yuu n ARG 78 Cb 1.17 -2.21 0.07 0.00 -1.16 0.00 0.00 32.46 30.33 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 -0.13 -1.72 0.55 5.85 -1.18 0.28 115.31 118.96 1yuu h LEU 79 Ca 0.50 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 59.31 1yuu h LEU 79 Cb 0.88 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 1yuu h LEU 79 CO -0.94 -0.04 -0.07 0.40 -0.34 0.00 0.00 178.44 177.45 1yuu h ILE 80 N 0.16 1.09 0.16 4.05 2.04 -1.18 -0.52 117.51 123.32 1yuu h ILE 80 Ca 0.26 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1yuu h ILE 80 Cb 0.39 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1yuu h ILE 80 CO -0.40 0.12 -0.08 1.23 0.00 0.00 0.00 178.15 179.03 1yuu h GLY 81 N 0.39 -0.22 0.04 5.37 0.00 -0.34 0.23 103.07 108.54 1yuu h GLY 81 Ca 0.02 0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.44 1yuu h GLY 81 CO 0.01 -0.08 -0.36 0.83 0.00 0.00 0.00 176.54 176.93 1yuu h GLU 82 N -0.68 -0.47 -0.47 4.80 5.08 -0.44 -2.45 114.58 119.95 1yuu h GLU 82 Ca -0.02 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1yuu h GLU 82 Cb 0.49 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1yuu h GLU 82 CO 0.04 -0.31 0.31 1.37 -1.00 0.00 0.00 179.01 179.41 1yuu h LEU 83 N -0.49 0.45 -1.14 1.33 8.10 -1.09 0.12 115.31 122.59 1yuu h LEU 83 Ca 0.00 -0.01 0.08 0.00 0.11 0.00 0.00 57.88 58.06 1yuu h LEU 83 Cb 0.51 -0.11 -0.06 0.00 -0.44 0.00 0.00 40.66 40.56 1yuu h LEU 83 CO -0.22 0.31 0.59 0.00 -4.11 0.00 0.00 178.44 175.02 1yuu h ALA 84 N 1.73 1.54 0.23 0.17 0.00 -0.22 -1.57 119.26 121.13 1yuu h ALA 84 Ca 0.19 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.78 1yuu h ALA 84 Cb 0.10 -0.25 0.03 0.00 0.00 0.00 0.00 17.79 17.67 1yuu h ALA 84 CO -0.05 0.31 -1.35 1.57 0.00 0.00 0.00 179.25 179.74 1yuu h LYS 85 N 1.00 0.48 -1.17 0.00 -0.00 -0.45 -3.40 116.57 113.03 1yuu h LYS 85 Ca 0.40 -0.82 0.35 0.00 -0.00 0.00 0.00 60.65 60.58 1yuu h LYS 85 Cb 0.26 0.30 -0.11 0.00 -0.00 0.00 0.00 32.23 32.69 1yuu h LYS 85 CO -0.16 1.39 0.76 0.93 -0.00 0.00 0.00 179.45 182.37 1yuu h GLU 86 N 0.02 0.23 -0.78 0.07 4.39 0.16 0.54 114.58 119.21 1yuu h GLU 86 Ca -0.24 -0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.60 1yuu h GLU 86 Cb 2.04 -0.05 -0.15 0.00 -0.10 0.00 0.00 28.75 30.50 1yuu h GLU 86 CO 0.24 0.15 -0.23 0.97 -1.16 0.00 0.00 179.01 178.98 1yuu h ILE 87 N 0.23 0.19 0.00 3.13 2.10 -1.72 -3.05 117.51 118.39 1yuu h ILE 87 Ca 0.70 0.00 -0.10 0.00 1.08 0.00 0.00 64.86 66.54 1yuu h ILE 87 Cb 2.04 0.19 -0.02 0.00 -1.09 0.00 0.00 36.82 37.94 1yuu h ILE 87 CO -0.35 0.00 -0.56 -0.09 -1.08 0.00 0.00 178.15 176.07 1yuu h ARG 88 N -0.02 0.00 -6.65 2.19 1.12 -0.38 -3.48 114.38 107.15 1yuu h ARG 88 Ca 0.36 0.00 -0.52 0.00 -1.11 0.00 0.00 59.98 58.70 1yuu h ARG 88 Cb 0.58 0.00 0.05 0.00 -0.01 0.00 0.00 29.97 30.59 1yuu h ARG 88 CO -0.81 0.98 0.88 0.21 -3.11 0.00 0.00 179.97 178.12 1yuu s LYS 89 N -2.28 4.20 -0.10 0.20 2.20 0.76 -4.97 119.74 119.76 1yuu s LYS 89 Ca -0.23 2.41 -0.01 0.00 -0.36 0.00 0.00 55.97 57.77 1yuu s LYS 89 Cb 0.01 -3.12 -0.00 0.00 -1.51 0.00 0.00 37.83 33.20 1yuu s LYS 89 CO 0.64 -0.60 -0.03 0.87 -0.36 0.00 0.00 175.35 175.87 1yuu h LYS 90 N 6.36 0.00 -0.10 4.03 1.79 -1.90 -3.43 116.57 123.31 1yuu h LYS 90 Ca -0.44 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 57.86 1yuu h LYS 90 Cb 1.21 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.62 1yuu h LYS 90 CO 0.89 0.00 -0.57 0.36 -1.08 0.00 0.00 179.45 179.05 1yuu n LYS 91 N -4.50 0.99 -1.63 3.15 2.85 -1.26 -5.04 118.16 112.73 1yuu n LYS 91 Ca -0.01 -1.81 -0.30 0.00 -1.05 0.00 0.00 58.31 55.14 1yuu n LYS 91 Cb 0.04 -0.09 -0.08 0.00 -0.65 0.00 0.00 35.03 34.25 1yuu n LYS 91 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1yuu n ASP 92 N -0.74 2.38 0.00 -5.58 2.03 -1.26 -4.05 116.55 109.33 1yuu n ASP 92 Ca -0.11 -2.63 0.00 0.00 0.52 0.00 0.00 54.79 52.57 1yuu n ASP 92 Cb 0.85 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.76 1yuu n ASP 92 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1yuu n LEU 93 N 13.78 0.00 0.00 -2.67 7.94 -1.26 -5.09 117.00 129.70 1yuu n LEU 93 Ca 0.45 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.35 1yuu n LEU 93 Cb 0.45 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.40 1yuu n LEU 93 CO 0.78 0.00 0.00 2.29 -1.11 0.00 0.00 177.39 179.35 1yuu n LYS 94 N -0.89 -1.37 -2.93 1.96 -0.00 -1.26 -5.10 118.16 108.57 1yuu n LYS 94 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 1yuu n LYS 94 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 35.03 35.04 1yuu n LYS 94 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1yuu n ILE 95 N -1.26 -0.26 -3.81 0.58 0.13 -1.26 -5.13 119.36 108.35 1yuu n ILE 95 Ca 0.00 -2.55 -0.02 0.00 -1.10 0.00 0.00 62.75 59.09 1yuu n ILE 95 Cb 0.00 0.17 0.00 0.00 -0.84 0.00 0.00 39.64 38.98 1yuu n ILE 95 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 1yuu s ARG 96 N -0.15 1.01 -0.30 9.51 3.52 -1.26 -5.17 118.95 126.11 1yuu s ARG 96 Ca 0.33 -0.61 -0.25 0.00 -0.13 0.00 0.00 55.73 55.06 1yuu s ARG 96 Cb 0.22 0.31 0.19 0.00 -1.56 0.00 0.00 34.95 34.10 1yuu s ARG 96 CO -0.18 -0.47 1.42 0.21 -0.81 0.00 0.00 175.30 175.48 1yuu s LYS 97 N -2.52 0.08 0.00 5.12 2.20 -1.26 -5.28 119.74 118.08 1yuu s LYS 97 Ca 0.19 0.08 0.02 0.00 -0.36 0.00 0.00 55.97 55.90 1yuu s LYS 97 Cb -0.01 0.04 0.02 0.00 -1.51 0.00 0.00 37.83 36.37 1yuu s LYS 97 CO 0.02 -0.01 0.57 1.17 -0.36 0.00 0.00 175.35 176.74