#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 0.00 -2.02 3.04 0.00 -1.26 -5.14 120.51 115.13 1yuu n ALA 2 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1yuu n ALA 2 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.11 -3.28 -2.24 0.00 0.00 -1.26 -4.97 120.51 108.65 1yuu n ALA 3 Ca 0.00 0.70 -0.42 0.00 0.00 0.00 0.00 53.44 53.72 1yuu n ALA 3 Cb 0.00 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.05 1yuu n ALA 3 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1yuu s GLU 4 N -0.80 4.23 0.34 0.00 2.56 -1.26 -5.00 118.70 118.77 1yuu s GLU 4 Ca -0.07 1.91 -0.28 0.00 0.00 0.00 0.00 54.97 56.53 1yuu s GLU 4 Cb 0.00 -3.78 -0.10 0.00 2.00 0.00 0.00 34.13 32.26 1yuu s GLU 4 CO 0.36 -0.70 1.21 -1.25 -0.56 0.00 0.00 175.26 174.31 1yuu s PRO 5 N 3.33 4.35 0.32 4.30 0.04 -1.26 -5.04 135.00 141.05 1yuu s PRO 5 Ca 0.63 1.99 0.05 0.00 0.04 0.00 0.00 61.00 63.71 1yuu s PRO 5 Cb -0.28 -2.99 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 1yuu s PRO 5 CO 0.23 -0.10 0.47 -0.51 0.04 0.00 0.00 177.00 177.12 1yuu s LEU 6 N -1.89 4.02 0.56 -3.56 1.43 -1.26 -5.08 118.68 112.91 1yuu s LEU 6 Ca 0.50 -0.05 -0.17 0.00 -1.03 0.00 0.00 54.13 53.37 1yuu s LEU 6 Cb -0.35 -2.84 -0.05 0.00 0.03 0.00 0.00 46.19 42.98 1yuu s LEU 6 CO 0.45 -0.37 1.06 0.28 0.23 0.00 0.00 176.35 178.00 1yuu s THR 7 N -2.17 3.72 0.22 5.49 -1.32 -1.26 -4.65 115.64 115.66 1yuu s THR 7 Ca 0.43 0.90 -0.15 0.00 -1.21 0.00 0.00 61.69 61.65 1yuu s THR 7 Cb -0.09 -3.38 0.24 0.00 -1.51 0.00 0.00 72.50 67.76 1yuu s THR 7 CO 0.31 -0.39 1.60 -0.33 -2.21 0.00 0.00 174.62 173.60 1yuu h GLU 8 N 0.79 -0.05 0.15 7.08 5.08 -1.98 0.19 114.58 125.83 1yuu h GLU 8 Ca -0.48 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1yuu h GLU 8 Cb 1.23 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1yuu h GLU 8 CO 0.58 -0.04 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.37 1yuu h LEU 9 N -0.06 -0.29 -0.33 1.33 3.38 -1.98 0.74 115.31 118.10 1yuu h LEU 9 Ca 0.31 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.38 1yuu h LEU 9 Cb 0.55 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.31 1yuu h LEU 9 CO -0.75 -0.18 -0.34 -0.08 0.09 0.00 0.00 178.44 177.18 1yuu h GLU 10 N -0.27 -0.30 -0.23 1.13 4.81 -1.45 0.23 114.58 118.50 1yuu h GLU 10 Ca -0.00 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1yuu h GLU 10 Cb 0.24 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.63 1yuu h GLU 10 CO -0.01 -0.20 -0.19 0.93 -0.73 0.00 0.00 179.01 178.81 1yuu h GLU 11 N -0.31 -0.19 -0.06 1.92 4.39 -0.57 0.09 114.58 119.86 1yuu h GLU 11 Ca 0.15 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.88 1yuu h GLU 11 Cb 0.55 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 1yuu h GLU 11 CO -0.50 -0.13 -0.06 1.03 -1.16 0.00 0.00 179.01 178.20 1yuu h SER 12 N -0.20 -0.18 -0.62 1.42 0.87 -0.14 -0.75 113.55 113.96 1yuu h SER 12 Ca 0.13 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.69 1yuu h SER 12 Cb 0.40 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 1yuu h SER 12 CO -0.34 -0.08 0.27 0.16 -0.53 0.00 0.00 176.83 176.30 1yuu h ILE 13 N -0.07 1.22 0.69 2.23 -0.00 -0.32 -2.34 117.51 118.92 1yuu h ILE 13 Ca 0.04 -0.69 -0.03 0.00 -0.00 0.00 0.00 64.86 64.19 1yuu h ILE 13 Cb 0.14 0.44 -0.01 0.00 -0.00 0.00 0.00 36.82 37.39 1yuu h ILE 13 CO -0.10 0.28 -0.48 -0.08 -0.00 0.00 0.00 178.15 177.77 1yuu h GLU 14 N 0.93 -1.07 -0.95 0.16 4.22 -0.36 0.20 114.58 117.70 1yuu h GLU 14 Ca 0.22 0.07 0.13 0.00 0.08 0.00 0.00 59.36 59.86 1yuu h GLU 14 Cb 0.17 0.24 -0.09 0.00 0.50 0.00 0.00 28.75 29.57 1yuu h GLU 14 CO -0.02 -0.71 0.58 0.00 -2.18 0.00 0.00 179.01 176.67 1yuu h THR 15 N -1.11 0.86 0.00 0.32 1.03 -0.83 0.20 112.91 113.39 1yuu h THR 15 Ca -0.09 -0.30 -0.18 0.00 -0.01 0.00 0.00 66.41 65.83 1yuu h THR 15 Cb 0.91 -0.09 -0.02 0.00 -1.07 0.00 0.00 68.15 67.88 1yuu h THR 15 CO 0.06 0.16 -0.84 -0.37 -0.01 0.00 0.00 175.52 174.52 1yuu h VAL 16 N 0.88 1.57 -0.39 0.00 -1.51 -1.35 -1.12 116.25 114.33 1yuu h VAL 16 Ca 0.49 -2.77 -0.04 0.00 -1.23 0.00 0.00 66.70 63.15 1yuu h VAL 16 Cb 0.54 2.51 -0.02 0.00 -2.13 0.00 0.00 31.29 32.20 1yuu h VAL 16 CO -0.29 0.79 0.11 0.58 -1.23 0.00 0.00 177.57 177.53 1yuu h VAL 17 N 0.02 1.22 -0.52 7.19 2.07 0.22 0.18 116.25 126.64 1yuu h VAL 17 Ca -0.02 -0.75 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 1yuu h VAL 17 Cb 1.47 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 1yuu h VAL 17 CO 0.11 0.26 0.07 0.00 0.02 0.00 0.00 177.57 178.03 1yuu h THR 18 N 0.48 1.25 -0.18 2.57 1.03 -0.74 0.13 112.91 117.46 1yuu h THR 18 Ca 0.12 -0.98 0.04 0.00 -0.01 0.00 0.00 66.41 65.59 1yuu h THR 18 Cb 0.29 0.88 -0.04 0.00 -1.07 0.00 0.00 68.15 68.21 1yuu h THR 18 CO -0.00 0.35 -0.08 0.74 -0.01 0.00 0.00 175.52 176.51 1yuu h THR 19 N 0.74 0.73 -0.17 0.00 2.02 -1.04 0.11 112.91 115.30 1yuu h THR 19 Ca 0.15 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.37 1yuu h THR 19 Cb 0.43 0.73 -0.07 0.00 -1.74 0.00 0.00 68.15 67.50 1yuu h THR 19 CO 0.01 0.00 -0.55 0.15 0.37 0.00 0.00 175.52 175.51 1yuu h PHE 20 N -0.07 -1.63 -0.25 3.16 3.57 -0.41 -2.72 116.94 118.59 1yuu h PHE 20 Ca 0.10 0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.72 1yuu h PHE 20 Cb 0.21 0.73 -0.06 0.00 2.79 0.00 0.00 35.95 39.62 1yuu h PHE 20 CO -0.23 -0.54 -0.16 0.35 -2.23 0.00 0.00 178.31 175.50 1yuu h PHE 21 N -0.56 -0.39 0.00 0.41 3.57 -0.08 0.33 116.94 120.21 1yuu h PHE 21 Ca 0.04 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 1yuu h PHE 21 Cb 0.67 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.62 1yuu h PHE 21 CO -0.60 -0.23 -0.10 0.00 -2.23 0.00 0.00 178.31 175.15 1yuu h THR 22 N -0.14 0.58 0.17 4.41 1.03 -0.89 -0.55 112.91 117.53 1yuu h THR 22 Ca 0.14 -0.43 -0.26 0.00 -0.01 0.00 0.00 66.41 65.86 1yuu h THR 22 Cb 0.35 1.27 0.02 0.00 -1.07 0.00 0.00 68.15 68.72 1yuu h THR 22 CO -0.34 0.10 -1.18 -0.26 -0.01 0.00 0.00 175.52 173.83 1yuu h PHE 23 N 0.00 0.66 -0.99 0.00 -1.00 -0.92 -3.33 116.94 111.36 1yuu h PHE 23 Ca -0.00 -0.48 0.16 0.00 2.81 0.00 0.00 57.97 60.46 1yuu h PHE 23 Cb 0.26 -0.03 -0.10 0.00 3.61 0.00 0.00 35.95 39.70 1yuu h PHE 23 CO 0.00 1.45 0.60 0.00 -1.61 0.00 0.00 178.31 178.76 1yuu h ALA 24 N 0.08 1.58 0.00 2.45 0.00 0.65 -0.13 119.26 123.89 1yuu h ALA 24 Ca -0.22 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1yuu h ALA 24 Cb 1.84 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1yuu h ALA 24 CO 0.17 0.04 0.00 0.07 0.00 0.00 0.00 179.25 179.53 1yuu h ARG 25 N 0.83 0.00 -0.40 0.00 -0.00 -1.30 -3.36 114.38 110.15 1yuu h ARG 25 Ca 0.54 0.00 0.05 0.00 -0.00 0.00 0.00 59.98 60.57 1yuu h ARG 25 Cb 0.74 0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 30.64 1yuu h ARG 25 CO -0.34 0.00 -0.46 0.37 -0.00 0.00 0.00 179.97 179.54 1yuu h GLN 26 N 0.00 -0.27 -3.59 0.08 5.75 -1.12 -3.34 115.11 112.62 1yuu h GLN 26 Ca 0.00 0.02 -0.61 0.00 -0.15 0.00 0.00 58.65 57.91 1yuu h GLN 26 Cb 0.64 0.06 -0.40 0.00 1.07 0.00 0.00 27.48 28.85 1yuu h GLN 26 CO 0.00 -0.18 -0.74 -1.21 -2.65 0.00 0.00 178.83 174.05 1yuu s GLU 27 N -5.15 1.06 0.41 1.69 0.41 -1.26 -5.08 118.70 110.78 1yuu s GLU 27 Ca -0.11 -1.54 0.00 0.00 -0.41 0.00 0.00 54.97 52.91 1yuu s GLU 27 Cb 0.07 -2.35 0.00 0.00 -1.78 0.00 0.00 34.13 30.07 1yuu s GLU 27 CO 0.50 -1.03 0.00 0.41 -0.49 0.00 0.00 175.26 174.65 1yuu n GLY 28 N 4.31 -3.70 3.07 -1.39 0.00 -1.25 -4.75 105.19 101.47 1yuu n GLY 28 Ca 0.02 -0.98 -0.16 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.26 -2.21 -0.04 1.61 3.00 -1.26 -4.68 116.66 110.83 1yuu n ARG 29 Ca 0.00 1.88 0.00 0.00 -0.01 0.00 0.00 57.85 59.72 1yuu n ARG 29 Cb 0.33 -4.06 0.00 0.00 0.00 0.00 0.00 32.46 28.74 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 0.04 0.56 -0.69 5.56 2.85 -1.26 -0.83 118.16 124.39 1yuu n LYS 30 Ca 0.03 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.30 1yuu n LYS 30 Cb 0.47 -1.22 0.01 0.00 -0.65 0.00 0.00 35.03 33.64 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 0.85 0.25 -3.69 -5.58 -0.08 -1.26 -4.54 116.55 102.50 1yuu n ASP 31 Ca 0.00 -2.03 -0.14 0.00 -1.51 0.00 0.00 54.79 51.12 1yuu n ASP 31 Cb 0.28 -0.23 -0.09 0.00 2.34 0.00 0.00 41.12 43.43 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 -1.24 -0.55 -0.29 1.67 0.01 -0.01 -2.73 113.70 110.55 1yuu s SER 32 Ca 0.08 1.04 -0.09 0.00 1.31 0.00 0.00 55.95 58.28 1yuu s SER 32 Cb 0.08 1.06 -0.02 0.00 0.21 0.00 0.00 66.02 67.35 1yuu s SER 32 CO -0.03 -0.20 0.14 -0.76 0.41 0.00 0.00 173.24 172.80 1yuu s LEU 33 N 0.21 3.95 0.87 2.44 1.02 -0.21 -4.48 118.68 122.47 1yuu s LEU 33 Ca -0.01 -0.36 -0.11 0.00 0.02 0.00 0.00 54.13 53.67 1yuu s LEU 33 Cb -0.04 -2.01 0.16 0.00 0.02 0.00 0.00 46.19 44.33 1yuu s LEU 33 CO 0.01 -0.13 1.20 -0.55 0.02 0.00 0.00 176.35 176.90 1yuu s SER 34 N 1.64 3.64 0.13 2.29 0.15 -1.26 -0.28 113.70 120.00 1yuu s SER 34 Ca 0.05 0.13 -0.20 0.00 0.70 0.00 0.00 55.95 56.63 1yuu s SER 34 Cb -0.16 -0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 63.81 1yuu s SER 34 CO 0.06 -2.38 1.70 -0.37 1.20 0.00 0.00 173.24 173.45 1yuu h VAL 35 N -1.24 0.76 0.67 4.45 -1.51 -2.00 0.21 116.25 117.59 1yuu h VAL 35 Ca -0.42 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.02 1yuu h VAL 35 Cb 1.25 0.76 0.01 0.00 -2.13 0.00 0.00 31.29 31.18 1yuu h VAL 35 CO 0.41 0.00 -0.32 -1.13 -1.23 0.00 0.00 177.57 175.30 1yuu h ASN 36 N -0.02 -0.76 -0.91 4.19 -0.73 -1.96 0.57 115.58 115.97 1yuu h ASN 36 Ca 0.11 -0.00 0.17 0.00 1.87 0.00 0.00 56.30 58.44 1yuu h ASN 36 Cb 0.18 0.20 -0.17 0.00 0.27 0.00 0.00 38.32 38.80 1yuu h ASN 36 CO -0.23 -0.47 -0.25 -0.62 -0.37 0.00 0.00 177.43 175.49 1yuu n GLU 37 N -5.43 -0.11 0.18 6.67 1.02 -1.00 0.34 120.64 122.32 1yuu n GLU 37 Ca -0.13 1.41 -0.14 0.00 -0.02 0.00 0.00 57.16 58.28 1yuu n GLU 37 Cb 0.37 -2.10 -0.07 0.00 -0.02 0.00 0.00 31.44 29.62 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 -0.50 -0.70 -0.32 3.04 -0.33 -2.96 116.94 115.18 1yuu h PHE 38 Ca 0.41 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.35 1yuu h PHE 38 Cb 0.64 0.18 -0.03 0.00 2.56 0.00 0.00 35.95 39.29 1yuu h PHE 38 CO -0.72 -0.29 0.42 -0.22 -2.02 0.00 0.00 178.31 175.48 1yuu h LYS 39 N -0.46 0.94 -0.91 1.11 3.64 0.22 -0.13 116.57 120.99 1yuu h LYS 39 Ca -0.02 -0.08 0.15 0.00 -1.27 0.00 0.00 60.65 59.43 1yuu h LYS 39 Cb 0.39 -0.20 -0.07 0.00 -0.41 0.00 0.00 32.23 31.94 1yuu h LYS 39 CO 0.01 0.66 0.58 0.93 -2.27 0.00 0.00 179.45 179.36 1yuu h GLU 40 N 0.96 0.68 -0.20 1.90 4.39 -0.65 0.12 114.58 121.78 1yuu h GLU 40 Ca 0.25 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.85 1yuu h GLU 40 Cb -0.04 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.45 1yuu h GLU 40 CO -0.05 0.45 -0.11 1.25 -1.16 0.00 0.00 179.01 179.39 1yuu h LEU 41 N 0.71 0.44 -0.51 1.33 5.85 -0.93 0.15 115.31 122.34 1yuu h LEU 41 Ca 0.46 -0.42 -0.15 0.00 0.84 0.00 0.00 57.88 58.61 1yuu h LEU 41 Cb 0.74 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1yuu h LEU 41 CO -0.22 0.77 -0.37 -0.37 -0.34 0.00 0.00 178.44 177.91 1yuu h VAL 42 N 0.11 1.28 -0.27 1.05 -1.51 -1.22 0.58 116.25 116.27 1yuu h VAL 42 Ca 0.04 -1.53 -0.10 0.00 -1.23 0.00 0.00 66.70 63.87 1yuu h VAL 42 Cb 0.61 1.40 -0.01 0.00 -2.13 0.00 0.00 31.29 31.17 1yuu h VAL 42 CO 0.03 0.51 -0.23 0.74 -1.23 0.00 0.00 177.57 177.39 1yuu h THR 43 N 0.67 1.31 0.00 7.19 2.02 -0.77 -3.19 112.91 120.13 1yuu h THR 43 Ca 0.06 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.86 1yuu h THR 43 Cb 0.93 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1yuu h THR 43 CO 0.09 0.44 -0.01 -0.61 0.37 0.00 0.00 175.52 175.80 1yuu h GLN 44 N 0.37 0.00 0.17 6.66 4.15 -0.50 -3.42 115.11 122.54 1yuu h GLN 44 Ca 0.05 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.17 1yuu h GLN 44 Cb 0.78 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.50 1yuu h GLN 44 CO 0.06 0.00 -1.33 1.96 -1.93 0.00 0.00 178.83 177.59 1yuu h GLN 45 N -0.95 0.44 -3.59 1.69 1.08 -1.07 -3.42 115.11 109.29 1yuu h GLN 45 Ca 0.00 -0.71 -0.77 0.00 -1.45 0.00 0.00 58.65 55.72 1yuu h GLN 45 Cb 0.01 0.26 -0.29 0.00 -0.05 0.00 0.00 27.48 27.40 1yuu h GLN 45 CO 0.00 1.33 0.20 -0.51 -0.95 0.00 0.00 178.83 178.90 1yuu s LEU 46 N -7.47 6.23 0.38 1.46 1.43 -1.21 -4.91 118.68 114.60 1yuu s LEU 46 Ca -0.07 -3.34 0.09 0.00 -1.03 0.00 0.00 54.13 49.79 1yuu s LEU 46 Cb 0.06 -2.13 0.74 0.00 0.03 0.00 0.00 46.19 44.89 1yuu s LEU 46 CO 0.92 -0.35 1.89 1.55 0.23 0.00 0.00 176.35 180.59 1yuu h PRO 47 N 6.86 0.24 0.00 1.29 0.13 -1.83 -3.41 132.00 135.28 1yuu h PRO 47 Ca 0.14 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1yuu h PRO 47 Cb 0.91 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1yuu h PRO 47 CO 0.89 0.41 0.00 1.58 -0.23 0.00 0.00 178.00 180.65 1yuu n HIS 48 N -4.25 0.00 0.27 1.56 -0.00 -1.26 -4.73 115.22 106.81 1yuu n HIS 48 Ca -0.01 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.06 1yuu n HIS 48 Cb 0.29 0.02 -0.06 0.00 -0.12 0.00 0.00 29.99 30.12 1yuu n HIS 48 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1yuu h LEU 49 N 0.00 -0.68 0.14 0.27 5.85 -1.97 -3.33 115.31 115.59 1yuu h LEU 49 Ca 0.00 0.03 -0.25 0.00 0.84 0.00 0.00 57.88 58.50 1yuu h LEU 49 Cb 0.33 0.19 0.03 0.00 0.37 0.00 0.00 40.66 41.58 1yuu h LEU 49 CO 0.00 -0.44 -1.06 -0.07 -0.34 0.00 0.00 178.44 176.53 1yuu h LEU 50 N -0.72 0.69 -1.15 2.25 3.38 -1.91 -3.46 115.31 114.39 1yuu h LEU 50 Ca -0.07 -0.88 -0.27 0.00 0.09 0.00 0.00 57.88 56.76 1yuu h LEU 50 Cb 0.56 -0.22 -0.16 0.00 0.09 0.00 0.00 40.66 40.93 1yuu h LEU 50 CO 0.09 1.51 -0.39 2.29 0.09 0.00 0.00 178.44 182.03 1yuu n LYS 51 N -3.95 -0.88 -0.85 1.13 -0.00 -1.25 -4.71 118.16 107.64 1yuu n LYS 51 Ca -0.14 0.06 0.03 0.00 -0.00 0.00 0.00 58.31 58.26 1yuu n LYS 51 Cb 0.91 -1.97 0.04 0.00 -0.00 0.00 0.00 35.03 34.01 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 -0.62 0.79 0.18 -5.58 2.03 -1.26 -4.87 116.55 107.22 1yuu n ASP 52 Ca 0.04 -2.29 0.13 0.00 0.52 0.00 0.00 54.79 53.19 1yuu n ASP 52 Cb 0.20 -0.29 0.71 0.00 -0.72 0.00 0.00 41.12 41.01 1yuu n ASP 52 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1yuu h VAL 53 N 5.71 0.81 -0.93 5.18 -1.51 -1.94 -0.65 116.25 122.92 1yuu h VAL 53 Ca -0.09 0.00 0.24 0.00 -1.23 0.00 0.00 66.70 65.63 1yuu h VAL 53 Cb 1.51 0.90 -0.13 0.00 -2.13 0.00 0.00 31.29 31.44 1yuu h VAL 53 CO 0.04 0.00 0.44 1.23 -1.23 0.00 0.00 177.57 178.05 1yuu h GLY 54 N 0.00 1.68 -3.59 5.19 0.00 -1.99 -1.54 103.07 102.81 1yuu h GLY 54 Ca 0.08 -0.19 -0.51 0.00 0.00 0.00 0.00 47.33 46.72 1yuu h GLY 54 CO -0.00 -0.32 0.45 -1.14 0.00 0.00 0.00 176.54 175.53 1yuu n SER 55 N -5.04 4.91 -0.19 0.19 3.41 -0.25 -4.68 113.62 111.97 1yuu n SER 55 Ca 0.25 -3.72 0.14 0.00 -0.26 0.00 0.00 58.87 55.28 1yuu n SER 55 Cb 0.73 -0.80 0.47 0.00 -0.26 0.00 0.00 64.21 64.35 1yuu n SER 55 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1yuu h LEU 56 N 1.44 0.47 -0.98 1.04 7.12 -1.35 0.23 115.31 123.28 1yuu h LEU 56 Ca 0.52 0.03 0.09 0.00 0.13 0.00 0.00 57.88 58.65 1yuu h LEU 56 Cb 1.83 -0.07 -0.07 0.00 -0.53 0.00 0.00 40.66 41.82 1yuu h LEU 56 CO 1.10 0.24 0.62 -2.24 -0.13 0.00 0.00 178.44 178.03 1yuu h ASP 57 N 0.50 0.95 -0.01 1.25 2.03 -1.85 0.32 116.42 119.62 1yuu h ASP 57 Ca 0.38 0.03 -0.00 0.00 -0.73 0.00 0.00 57.03 56.71 1yuu h ASP 57 Cb 0.78 -0.17 -0.00 0.00 -0.83 0.00 0.00 39.33 39.11 1yuu h ASP 57 CO -0.14 0.57 -0.01 -0.08 -1.03 0.00 0.00 179.24 178.55 1yuu h GLU 58 N 1.06 0.02 -0.82 4.15 4.81 -0.98 -0.97 114.58 121.85 1yuu h GLU 58 Ca 0.45 -0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.81 1yuu h GLU 58 Cb 0.31 -0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.60 1yuu h GLU 58 CO -0.22 0.47 0.43 0.87 -0.73 0.00 0.00 179.01 179.83 1yuu h LYS 59 N -0.44 0.62 0.24 1.92 1.79 -0.71 0.57 116.57 120.56 1yuu h LYS 59 Ca 0.00 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1yuu h LYS 59 Cb 0.47 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1yuu h LYS 59 CO 0.00 0.41 -0.11 1.98 -1.08 0.00 0.00 179.45 180.65 1yuu h MET 60 N 0.64 -0.31 -0.96 3.15 4.05 -0.29 0.12 114.93 121.33 1yuu h MET 60 Ca 0.44 0.02 0.14 0.00 -0.28 0.00 0.00 59.70 60.02 1yuu h MET 60 Cb 0.57 0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 31.36 1yuu h MET 60 CO -0.34 -0.14 0.61 0.87 0.23 0.00 0.00 176.91 178.14 1yuu h LYS 61 N -0.40 0.83 0.83 0.39 1.57 -0.32 0.21 116.57 119.68 1yuu h LYS 61 Ca -0.03 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1yuu h LYS 61 Cb 0.31 -0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.44 1yuu h LYS 61 CO 0.05 0.55 -0.40 1.03 -0.57 0.00 0.00 179.45 180.11 1yuu h SER 62 N 0.85 -0.94 0.30 0.86 0.87 -0.54 -3.38 113.55 111.56 1yuu h SER 62 Ca 0.49 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 61.08 1yuu h SER 62 Cb 0.63 0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.80 1yuu h SER 62 CO -0.26 -0.66 -0.46 -0.07 -0.53 0.00 0.00 176.83 174.86 1yuu h LEU 63 N -1.15 -1.30 -8.17 2.23 3.38 0.85 -3.36 115.31 107.79 1yuu h LEU 63 Ca -0.11 0.12 -0.37 0.00 0.09 0.00 0.00 57.88 57.61 1yuu h LEU 63 Cb 0.85 0.45 -0.06 0.00 0.09 0.00 0.00 40.66 42.00 1yuu h LEU 63 CO 0.19 -0.55 0.96 -0.62 0.09 0.00 0.00 178.44 178.51 1yuu s ASP 64 N -4.22 5.45 0.57 -0.43 2.15 -0.10 -4.81 116.67 115.29 1yuu s ASP 64 Ca -0.15 -0.98 0.32 0.00 0.43 0.00 0.00 52.55 52.17 1yuu s ASP 64 Cb 0.04 -2.57 1.45 0.00 -0.30 0.00 0.00 42.92 41.55 1yuu s ASP 64 CO 0.53 -2.48 1.79 -0.37 -0.17 0.00 0.00 175.17 174.47 1yuu h VAL 65 N 7.01 0.37 0.00 1.11 -1.51 -1.86 0.25 116.25 121.62 1yuu h VAL 65 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.61 1yuu h VAL 65 Cb 1.00 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 1yuu h VAL 65 CO 1.26 0.00 -0.94 -0.46 -1.23 0.00 0.00 177.57 176.20 1yuu n ASN 66 N -3.93 0.83 -3.75 4.19 0.23 -1.26 -5.03 115.26 106.55 1yuu n ASN 66 Ca 0.18 -0.74 -0.22 0.00 -0.53 0.00 0.00 54.58 53.27 1yuu n ASN 66 Cb 1.04 1.13 0.02 0.00 -2.08 0.00 0.00 39.78 39.89 1yuu n ASN 66 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1yuu n GLN 67 N -1.50 -4.43 0.18 -3.83 6.02 0.89 -4.89 117.38 109.83 1yuu n GLN 67 Ca 0.02 0.57 0.11 0.00 -0.01 0.00 0.00 57.00 57.69 1yuu n GLN 67 Cb 0.29 -5.02 0.11 0.00 1.02 0.00 0.00 30.24 26.65 1yuu n GLN 67 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 1yuu h ASP 68 N -1.85 0.00 -0.12 1.08 3.04 -1.96 -3.48 116.42 113.13 1yuu h ASP 68 Ca -0.62 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.15 1yuu h ASP 68 Cb 1.36 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.65 1yuu h ASP 68 CO 0.57 0.06 -0.03 -0.24 -2.04 0.00 0.00 179.24 177.57 1yuu n SER 69 N -3.02 -1.90 -3.79 4.15 2.88 -1.26 -5.04 113.62 105.64 1yuu n SER 69 Ca 0.03 0.01 -0.23 0.00 -1.33 0.00 0.00 58.87 57.35 1yuu n SER 69 Cb 0.56 -0.73 -0.17 0.00 -0.75 0.00 0.00 64.21 63.11 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 -3.38 0.67 -0.87 -1.46 0.41 -1.26 -4.10 118.70 108.71 1yuu s GLU 70 Ca 0.00 0.07 -0.17 0.00 -0.41 0.00 0.00 54.97 54.46 1yuu s GLU 70 Cb 0.00 -0.99 0.16 0.00 -1.78 0.00 0.00 34.13 31.51 1yuu s GLU 70 CO 0.00 -0.29 0.97 -0.51 -0.49 0.00 0.00 175.26 174.95 1yuu s LEU 71 N 1.88 5.63 0.88 1.80 2.01 0.61 -4.82 118.68 126.66 1yuu s LEU 71 Ca 0.04 -2.19 -0.12 0.00 0.01 0.00 0.00 54.13 51.87 1yuu s LEU 71 Cb -0.12 -2.33 0.12 0.00 0.01 0.00 0.00 46.19 43.86 1yuu s LEU 71 CO -0.05 -0.91 1.14 -1.59 1.01 0.00 0.00 176.35 175.95 1yuu s LYS 72 N 1.89 1.42 0.11 1.70 -2.85 -1.26 -1.04 119.74 119.70 1yuu s LYS 72 Ca 0.26 0.27 -0.22 0.00 -1.00 0.00 0.00 55.97 55.29 1yuu s LYS 72 Cb -0.08 -1.87 -0.05 0.00 -2.06 0.00 0.00 37.83 33.77 1yuu s LYS 72 CO -0.08 -2.00 1.21 1.97 0.10 0.00 0.00 175.35 176.55 1yuu n PHE 73 N -3.63 -0.31 0.14 1.78 -1.74 -1.10 -0.18 117.46 112.42 1yuu n PHE 73 Ca 0.07 0.87 0.02 0.00 -0.56 0.00 0.00 57.45 57.85 1yuu n PHE 73 Cb 0.59 -0.54 0.11 0.00 1.52 0.00 0.00 39.48 41.16 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 0.52 5.98 -0.00 -1.93 0.88 115.58 121.03 1yuu h ASN 74 Ca 0.11 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.39 1yuu h ASN 74 Cb 0.29 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.61 1yuu h ASN 74 CO -0.66 0.56 -0.25 -0.33 -0.00 0.00 0.00 177.43 176.75 1yuu h GLU 75 N 0.00 -0.67 -0.33 6.67 5.08 -0.90 -3.15 114.58 121.28 1yuu h GLU 75 Ca -0.01 0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.47 1yuu h GLU 75 Cb 1.28 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 30.60 1yuu h GLU 75 CO 0.07 -0.36 -0.34 -0.92 -1.00 0.00 0.00 179.01 176.46 1yuu h TYR 76 N -0.94 -0.95 -0.94 4.33 3.20 -0.77 -3.07 116.97 117.83 1yuu h TYR 76 Ca -0.07 0.05 0.25 0.00 3.14 0.00 0.00 58.73 62.10 1yuu h TYR 76 Cb 0.61 0.46 -0.13 0.00 1.54 0.00 0.00 36.73 39.21 1yuu h TYR 76 CO 0.00 -0.40 0.44 2.35 -1.64 0.00 0.00 178.16 178.92 1yuu h TRP 77 N -0.30 0.73 -0.99 -3.82 7.01 -0.78 0.13 115.95 117.93 1yuu h TRP 77 Ca 0.15 0.04 0.31 0.00 2.11 0.00 0.00 58.89 61.49 1yuu h TRP 77 Cb 0.55 -0.17 -0.15 0.00 -2.10 0.00 0.00 29.16 27.29 1yuu h TRP 77 CO -0.52 -0.09 0.52 -0.09 -2.79 0.00 0.00 178.44 175.48 1yuu h ARG 78 N 0.38 0.31 -0.74 2.65 2.43 -1.50 0.82 114.38 118.73 1yuu h ARG 78 Ca 0.62 -0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.91 1yuu h ARG 78 Cb 1.25 -0.07 -0.14 0.00 -0.42 0.00 0.00 29.97 30.58 1yuu h ARG 78 CO -0.56 0.21 -0.20 1.25 -1.51 0.00 0.00 179.97 179.16 1yuu h LEU 79 N 0.32 -0.74 -1.80 3.80 5.85 -0.92 0.45 115.31 122.28 1yuu h LEU 79 Ca 0.70 0.22 0.03 0.00 0.84 0.00 0.00 57.88 59.68 1yuu h LEU 79 Cb 1.57 0.47 -0.02 0.00 0.37 0.00 0.00 40.66 43.06 1yuu h LEU 79 CO -0.61 -0.25 0.20 0.40 -0.34 0.00 0.00 178.44 177.84 1yuu h ILE 80 N -0.01 0.99 0.01 4.05 2.04 -1.00 0.24 117.51 123.82 1yuu h ILE 80 Ca 0.35 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 66.12 1yuu h ILE 80 Cb 0.55 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1yuu h ILE 80 CO -0.76 0.05 -0.00 1.23 0.00 0.00 0.00 178.15 178.66 1yuu h GLY 81 N 0.26 -0.01 0.60 5.37 0.00 -0.29 0.20 103.07 109.19 1yuu h GLY 81 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 1yuu h GLY 81 CO -0.02 -0.00 -0.35 0.83 0.00 0.00 0.00 176.54 176.99 1yuu h GLU 82 N -0.51 -0.85 -0.92 4.80 5.08 0.39 -0.23 114.58 122.34 1yuu h GLU 82 Ca -0.00 0.06 0.16 0.00 -1.00 0.00 0.00 59.36 58.58 1yuu h GLU 82 Cb 0.50 0.19 -0.08 0.00 0.50 0.00 0.00 28.75 29.87 1yuu h GLU 82 CO 0.00 -0.57 0.59 1.37 -1.00 0.00 0.00 179.01 179.40 1yuu h LEU 83 N -0.88 0.65 0.45 1.33 8.10 -0.65 0.50 115.31 124.81 1yuu h LEU 83 Ca -0.08 0.05 -0.01 0.00 0.11 0.00 0.00 57.88 57.94 1yuu h LEU 83 Cb 0.70 -0.08 -0.02 0.00 -0.44 0.00 0.00 40.66 40.83 1yuu h LEU 83 CO 0.09 0.31 -0.40 0.00 -4.11 0.00 0.00 178.44 174.32 1yuu h ALA 84 N 1.60 -1.10 0.00 0.17 0.00 -0.31 -2.89 119.26 116.73 1yuu h ALA 84 Ca 0.47 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1yuu h ALA 84 Cb 0.81 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1yuu h ALA 84 CO -0.23 -1.11 -0.00 1.57 0.00 0.00 0.00 179.25 179.47 1yuu h LYS 85 N -0.84 0.00 -0.46 0.00 -0.00 0.09 -1.81 116.57 113.56 1yuu h LYS 85 Ca -0.06 0.00 0.10 0.00 -0.00 0.00 0.00 60.65 60.70 1yuu h LYS 85 Cb 0.72 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.92 1yuu h LYS 85 CO -0.03 0.00 0.32 0.93 -0.00 0.00 0.00 179.45 180.68 1yuu h GLU 86 N 0.00 0.15 0.00 0.07 4.39 -0.73 0.11 114.58 118.56 1yuu h GLU 86 Ca -0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1yuu h GLU 86 Cb 0.51 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1yuu h GLU 86 CO 0.00 0.10 0.04 1.51 -1.16 0.00 0.00 179.01 179.49 1yuu n ILE 87 N -4.44 1.41 -0.01 3.13 3.06 -0.68 -1.80 119.36 120.04 1yuu n ILE 87 Ca 0.07 0.62 -0.01 0.00 -2.50 0.00 0.00 62.75 60.94 1yuu n ILE 87 Cb 0.42 -1.62 -0.01 0.00 0.54 0.00 0.00 39.64 38.97 1yuu n ILE 87 CO 0.00 0.00 0.00 -2.11 -2.50 0.00 0.00 176.55 171.94 1yuu n ARG 88 N -1.86 0.63 -0.04 9.51 1.85 0.15 -4.69 116.66 122.20 1yuu n ARG 88 Ca -0.01 0.01 -0.19 0.00 -1.00 0.00 0.00 57.85 56.66 1yuu n ARG 88 Cb 0.05 -1.03 -0.13 0.00 -1.05 0.00 0.00 32.46 30.30 1yuu n ARG 88 CO 0.00 0.00 0.00 1.57 -0.01 0.00 0.00 177.63 179.19 1yuu h LYS 89 N 0.00 0.11 0.62 2.89 2.10 -0.79 -3.31 116.57 118.18 1yuu h LYS 89 Ca -0.04 -0.18 -0.03 0.00 -2.00 0.00 0.00 60.65 58.40 1yuu h LYS 89 Cb 1.06 0.07 0.01 0.00 -0.90 0.00 0.00 32.23 32.46 1yuu h LYS 89 CO -0.00 1.09 -0.30 -0.22 -2.00 0.00 0.00 179.45 178.02 1yuu h LYS 90 N -0.72 -0.80 0.00 0.07 3.64 -1.58 -3.41 116.57 113.77 1yuu h LYS 90 Ca -0.20 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1yuu h LYS 90 Cb 1.38 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 1yuu h LYS 90 CO -0.02 -0.48 0.00 1.17 -2.27 0.00 0.00 179.45 177.85 1yuu n LYS 91 N -5.36 0.00 0.00 1.90 4.81 -1.26 -4.93 118.16 113.33 1yuu n LYS 91 Ca -0.12 -0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.25 1yuu n LYS 91 Cb 0.35 -0.20 0.00 0.00 0.02 0.00 0.00 35.03 35.21 1yuu n LYS 91 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1yuu n ASP 92 N 0.00 0.00 0.02 3.14 2.03 -1.26 -2.25 116.55 118.24 1yuu n ASP 92 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 1yuu n ASP 92 Cb 0.35 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.74 1yuu n ASP 92 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1yuu h LEU 93 N 0.00 -0.10 -7.39 -2.67 5.85 -1.92 -3.45 115.31 105.62 1yuu h LEU 93 Ca 0.00 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.19 1yuu h LEU 93 Cb 0.00 0.02 -0.39 0.00 0.37 0.00 0.00 40.66 40.66 1yuu h LEU 93 CO 0.00 0.14 -0.77 -0.54 -0.34 0.00 0.00 178.44 176.93 1yuu s LYS 94 N -1.81 0.92 0.00 1.25 1.02 -1.13 -5.00 119.74 114.99 1yuu s LYS 94 Ca -0.02 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.48 1yuu s LYS 94 Cb 0.00 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 1yuu s LYS 94 CO 0.05 -0.58 0.00 0.44 -0.92 0.00 0.00 175.35 174.34 1yuu n ILE 95 N 4.97 0.00 0.00 2.17 -5.35 -0.95 -4.09 119.36 116.11 1yuu n ILE 95 Ca -0.10 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 1yuu n ILE 95 Cb 0.47 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.37 1yuu n ILE 95 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1yuu n ARG 96 N 0.00 0.00 -2.67 6.28 0.63 -1.26 -4.09 116.66 115.55 1yuu n ARG 96 Ca 0.00 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 1yuu n ARG 96 Cb 0.00 0.00 0.10 0.00 0.45 0.00 0.00 32.46 33.01 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 0.00 0.29 0.00 -0.14 4.81 -1.25 -5.05 118.16 116.82 1yuu n LYS 97 Ca 0.00 -0.89 0.00 0.00 -0.87 0.00 0.00 58.31 56.55 1yuu n LYS 97 Cb 0.00 -0.25 0.00 0.00 0.02 0.00 0.00 35.03 34.80 1yuu n LYS 97 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74