#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 3.22 -1.84 3.17 0.00 -1.26 -5.02 120.51 118.77 1yuu n ALA 2 Ca 0.00 -3.05 -0.02 0.00 0.00 0.00 0.00 53.44 50.37 1yuu n ALA 2 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.47 -2.77 -3.13 0.00 0.00 -1.26 -5.02 120.51 107.86 1yuu n ALA 3 Ca 0.14 0.24 -0.26 0.00 0.00 0.00 0.00 53.44 53.55 1yuu n ALA 3 Cb 0.82 -0.84 -0.05 0.00 0.00 0.00 0.00 19.45 19.37 1yuu n ALA 3 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1yuu n GLU 4 N -0.59 2.79 -1.95 0.00 0.00 -1.26 -5.08 120.64 114.55 1yuu n GLU 4 Ca 0.02 -4.67 -0.37 0.00 0.00 0.00 0.00 57.16 52.15 1yuu n GLU 4 Cb 0.19 -2.18 0.04 0.00 0.00 0.00 0.00 31.44 29.48 1yuu n GLU 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1yuu s PRO 5 N -2.99 2.98 0.00 3.44 0.04 -1.26 -5.04 135.00 132.17 1yuu s PRO 5 Ca 0.45 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1yuu s PRO 5 Cb 0.23 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1yuu s PRO 5 CO -0.09 -1.23 0.00 1.28 0.04 0.00 0.00 177.00 177.00 1yuu n LEU 6 N -1.48 0.00 -4.77 -3.56 4.32 -1.26 -5.07 117.00 105.18 1yuu n LEU 6 Ca 0.13 0.00 -0.40 0.00 -0.02 0.00 0.00 56.01 55.72 1yuu n LEU 6 Cb 0.49 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.28 1yuu n LEU 6 CO 0.46 -0.11 1.01 -0.89 -1.22 0.00 0.00 177.39 176.64 1yuu s THR 7 N 0.90 2.52 0.20 -5.08 2.01 -1.26 -4.80 115.64 110.13 1yuu s THR 7 Ca 0.00 0.50 -0.22 0.00 0.31 0.00 0.00 61.69 62.28 1yuu s THR 7 Cb 0.00 -3.31 0.11 0.00 0.01 0.00 0.00 72.50 69.31 1yuu s THR 7 CO 0.00 0.10 1.51 1.21 -0.69 0.00 0.00 174.62 176.75 1yuu n GLU 8 N 0.48 -0.31 -0.09 4.92 2.13 -1.26 -0.36 120.64 126.15 1yuu n GLU 8 Ca 0.01 1.49 -0.11 0.00 0.66 0.00 0.00 57.16 59.21 1yuu n GLU 8 Cb 0.42 -2.20 0.02 0.00 0.27 0.00 0.00 31.44 29.94 1yuu n GLU 8 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1yuu h LEU 9 N 0.00 0.89 -0.53 4.31 3.38 -1.99 -2.23 115.31 119.14 1yuu h LEU 9 Ca 0.26 -0.40 0.11 0.00 0.09 0.00 0.00 57.88 57.94 1yuu h LEU 9 Cb 0.51 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 40.91 1yuu h LEU 9 CO -0.95 1.16 -0.08 -0.08 0.09 0.00 0.00 178.44 178.58 1yuu h GLU 10 N 0.69 0.04 -0.26 1.13 4.81 -1.44 0.16 114.58 119.70 1yuu h GLU 10 Ca 0.06 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1yuu h GLU 10 Cb 0.95 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.26 1yuu h GLU 10 CO 0.09 0.02 -0.19 0.93 -0.73 0.00 0.00 179.01 179.14 1yuu h GLU 11 N 0.04 -0.17 -0.62 1.92 4.39 -0.52 0.72 114.58 120.34 1yuu h GLU 11 Ca 0.26 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.94 1yuu h GLU 11 Cb 0.40 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 1yuu h GLU 11 CO -0.51 -0.11 0.25 0.66 -1.16 0.00 0.00 179.01 178.14 1yuu h SER 12 N -0.18 0.85 0.03 1.42 4.64 -0.51 -1.12 113.55 118.68 1yuu h SER 12 Ca 0.14 -0.17 -0.16 0.00 -0.47 0.00 0.00 61.79 61.13 1yuu h SER 12 Cb 0.39 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1yuu h SER 12 CO -0.36 0.79 -0.54 0.16 -0.87 0.00 0.00 176.83 176.01 1yuu h ILE 13 N 0.86 1.32 0.25 0.95 -0.00 -0.54 -3.05 117.51 117.30 1yuu h ILE 13 Ca 0.21 -1.78 0.01 0.00 -0.00 0.00 0.00 64.86 63.29 1yuu h ILE 13 Cb 0.20 1.76 -0.03 0.00 -0.00 0.00 0.00 36.82 38.75 1yuu h ILE 13 CO -0.02 0.55 -0.33 -0.08 -0.00 0.00 0.00 178.15 178.28 1yuu h GLU 14 N 0.43 -0.62 -0.12 0.16 4.22 -0.45 0.56 114.58 118.76 1yuu h GLU 14 Ca 0.01 0.04 0.04 0.00 0.08 0.00 0.00 59.36 59.53 1yuu h GLU 14 Cb 1.08 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1yuu h GLU 14 CO 0.10 -0.41 0.10 0.00 -2.18 0.00 0.00 179.01 176.62 1yuu h THR 15 N -0.64 0.80 0.24 0.32 1.03 -1.11 0.26 112.91 113.81 1yuu h THR 15 Ca -0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 66.41 66.06 1yuu h THR 15 Cb 0.61 0.93 0.03 0.00 -1.07 0.00 0.00 68.15 68.65 1yuu h THR 15 CO -0.11 0.00 -1.50 -0.37 -0.01 0.00 0.00 175.52 173.52 1yuu h VAL 16 N 0.00 1.25 -0.50 0.00 -1.51 -1.43 -3.20 116.25 110.86 1yuu h VAL 16 Ca 0.06 -2.71 0.08 0.00 -1.23 0.00 0.00 66.70 62.90 1yuu h VAL 16 Cb 0.26 3.00 -0.06 0.00 -2.13 0.00 0.00 31.29 32.36 1yuu h VAL 16 CO -0.00 0.82 0.15 0.58 -1.23 0.00 0.00 177.57 177.89 1yuu h VAL 17 N 0.14 0.79 -0.34 7.19 2.07 0.17 0.19 116.25 126.46 1yuu h VAL 17 Ca -0.26 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.17 1yuu h VAL 17 Cb 2.15 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 1yuu h VAL 17 CO 0.26 0.06 0.20 0.00 0.02 0.00 0.00 177.57 178.11 1yuu h THR 18 N 0.31 1.04 -0.94 2.57 1.03 -1.00 0.14 112.91 116.05 1yuu h THR 18 Ca 0.25 -0.14 0.02 0.00 -0.01 0.00 0.00 66.41 66.52 1yuu h THR 18 Cb 0.29 0.59 -0.05 0.00 -1.07 0.00 0.00 68.15 67.91 1yuu h THR 18 CO -0.28 0.08 0.62 0.74 -0.01 0.00 0.00 175.52 176.67 1yuu h THR 19 N 0.41 1.22 0.60 0.00 2.02 -1.37 0.01 112.91 115.80 1yuu h THR 19 Ca 0.13 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 1yuu h THR 19 Cb -0.00 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.26 1yuu h THR 19 CO -0.06 0.23 -0.45 0.15 0.37 0.00 0.00 175.52 175.76 1yuu h PHE 20 N 1.25 -1.22 -0.35 3.16 3.57 -0.25 -3.12 116.94 119.97 1yuu h PHE 20 Ca 0.35 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 1yuu h PHE 20 Cb -0.10 0.45 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1yuu h PHE 20 CO -0.00 -0.64 0.18 0.35 -2.23 0.00 0.00 178.31 175.97 1yuu h PHE 21 N -1.01 0.50 -0.37 0.41 3.57 0.22 0.31 116.94 120.57 1yuu h PHE 21 Ca -0.08 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.41 1yuu h PHE 21 Cb 0.84 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 1yuu h PHE 21 CO -0.15 0.42 0.25 0.00 -2.23 0.00 0.00 178.31 176.60 1yuu h THR 22 N 0.44 1.08 0.06 4.41 1.03 -1.16 -1.68 112.91 117.09 1yuu h THR 22 Ca 0.12 -0.17 -0.24 0.00 -0.01 0.00 0.00 66.41 66.11 1yuu h THR 22 Cb 0.10 0.55 0.02 0.00 -1.07 0.00 0.00 68.15 67.75 1yuu h THR 22 CO -0.02 0.09 -0.98 -0.26 -0.01 0.00 0.00 175.52 174.34 1yuu h PHE 23 N 0.48 0.88 0.00 0.00 0.04 -1.12 -3.36 116.94 113.86 1yuu h PHE 23 Ca 0.14 -0.52 -0.00 0.00 2.80 0.00 0.00 57.97 60.39 1yuu h PHE 23 Cb -0.02 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.04 1yuu h PHE 23 CO -0.00 1.36 -0.01 0.00 -0.60 0.00 0.00 178.31 179.06 1yuu h ALA 24 N 0.31 1.56 0.00 2.45 0.00 0.51 0.60 119.26 124.68 1yuu h ALA 24 Ca -0.14 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1yuu h ALA 24 Cb 1.67 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1yuu h ALA 24 CO 0.19 0.01 -0.29 0.07 0.00 0.00 0.00 179.25 179.23 1yuu h ARG 25 N 0.00 0.00 -0.71 0.00 -0.00 -1.63 -3.22 114.38 108.82 1yuu h ARG 25 Ca -0.00 0.00 0.12 0.00 -0.00 0.00 0.00 59.98 60.10 1yuu h ARG 25 Cb 0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 29.97 29.87 1yuu h ARG 25 CO 0.00 0.29 -0.34 0.37 -0.00 0.00 0.00 179.97 180.29 1yuu h GLN 26 N 0.00 -0.10 -5.41 0.08 5.75 -1.07 -3.41 115.11 110.95 1yuu h GLN 26 Ca -0.00 0.01 -0.55 0.00 -0.15 0.00 0.00 58.65 57.95 1yuu h GLN 26 Cb 0.78 0.02 -0.13 0.00 1.07 0.00 0.00 27.48 29.22 1yuu h GLN 26 CO 0.04 -0.07 -0.60 -1.21 -2.65 0.00 0.00 178.83 174.34 1yuu s GLU 27 N -6.00 1.82 0.00 1.69 2.02 -1.26 -5.07 118.70 111.90 1yuu s GLU 27 Ca -0.14 -2.03 0.00 0.00 0.02 0.00 0.00 54.97 52.81 1yuu s GLU 27 Cb 0.18 -1.23 0.00 0.00 0.10 0.00 0.00 34.13 33.18 1yuu s GLU 27 CO 0.70 -0.15 0.00 0.41 0.02 0.00 0.00 175.26 176.24 1yuu n GLY 28 N -0.85 0.00 2.45 -1.39 0.00 -1.26 -4.61 105.19 99.53 1yuu n GLY 28 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 1yuu n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yuu n ARG 29 N 0.00 -4.91 -0.86 1.61 1.74 -1.26 -4.61 116.66 108.36 1yuu n ARG 29 Ca 0.00 3.62 -0.26 0.00 -0.77 0.00 0.00 57.85 60.44 1yuu n ARG 29 Cb 0.00 -4.87 -0.02 0.00 -1.02 0.00 0.00 32.46 26.55 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 1.76 2.28 0.00 5.56 2.85 -1.22 -2.07 118.16 127.33 1yuu n LYS 30 Ca -0.20 -1.61 0.00 0.00 -1.05 0.00 0.00 58.31 55.45 1yuu n LYS 30 Cb 0.31 -2.55 0.00 0.00 -0.65 0.00 0.00 35.03 32.15 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 4.38 0.00 -4.63 -5.58 -0.08 -1.26 -4.90 116.55 104.48 1yuu n ASP 31 Ca 0.50 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 53.35 1yuu n ASP 31 Cb 0.17 0.15 -0.03 0.00 2.34 0.00 0.00 41.12 43.75 1yuu n ASP 31 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1yuu s SER 32 N -3.55 6.88 -0.05 1.67 1.04 -0.88 -1.65 113.70 117.17 1yuu s SER 32 Ca 0.00 1.00 -0.20 0.00 0.48 0.00 0.00 55.95 57.22 1yuu s SER 32 Cb 0.00 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 63.57 1yuu s SER 32 CO 0.00 -0.78 0.58 -0.76 0.98 0.00 0.00 173.24 173.26 1yuu s LEU 33 N 3.40 4.35 0.85 2.42 1.02 0.10 -4.67 118.68 126.16 1yuu s LEU 33 Ca 0.42 1.06 -0.12 0.00 0.02 0.00 0.00 54.13 55.51 1yuu s LEU 33 Cb -0.13 -2.89 0.14 0.00 0.02 0.00 0.00 46.19 43.33 1yuu s LEU 33 CO 0.13 0.03 1.20 -0.55 0.02 0.00 0.00 176.35 177.18 1yuu s SER 34 N 0.26 3.88 0.19 2.29 0.15 -1.26 -0.15 113.70 119.05 1yuu s SER 34 Ca 0.31 0.35 -0.12 0.00 0.70 0.00 0.00 55.95 57.19 1yuu s SER 34 Cb -0.17 -0.65 0.19 0.00 -1.71 0.00 0.00 66.02 63.69 1yuu s SER 34 CO 0.15 -2.25 1.75 0.58 1.20 0.00 0.00 173.24 174.68 1yuu h VAL 35 N -1.20 0.83 0.38 4.45 2.07 -1.99 0.22 116.25 121.00 1yuu h VAL 35 Ca -0.44 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1yuu h VAL 35 Cb 1.28 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1yuu h VAL 35 CO 0.49 0.07 -0.40 -1.13 0.02 0.00 0.00 177.57 176.62 1yuu h ASN 36 N 0.38 -1.10 -0.59 0.57 -0.73 -1.99 0.72 115.58 112.85 1yuu h ASN 36 Ca 0.25 0.09 0.12 0.00 1.87 0.00 0.00 56.30 58.63 1yuu h ASN 36 Cb 0.27 0.36 -0.10 0.00 0.27 0.00 0.00 38.32 39.13 1yuu h ASN 36 CO -0.25 -0.52 -0.01 -0.33 -0.37 0.00 0.00 177.43 175.95 1yuu h GLU 37 N -0.78 0.10 0.55 6.67 5.08 -1.85 0.11 114.58 124.47 1yuu h GLU 37 Ca -0.05 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1yuu h GLU 37 Cb 0.68 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.91 1yuu h GLU 37 CO -0.06 0.07 -0.27 0.35 -1.00 0.00 0.00 179.01 178.11 1yuu h PHE 38 N 0.11 -0.69 -0.82 4.33 3.57 -0.85 -3.01 116.94 119.58 1yuu h PHE 38 Ca 0.30 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.79 1yuu h PHE 38 Cb 0.48 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 1yuu h PHE 38 CO -0.36 -0.40 0.53 -0.22 -2.23 0.00 0.00 178.31 175.63 1yuu h LYS 39 N -0.82 1.08 -0.73 1.11 3.64 0.23 0.13 116.57 121.21 1yuu h LYS 39 Ca -0.08 -0.07 0.14 0.00 -1.27 0.00 0.00 60.65 59.37 1yuu h LYS 39 Cb 0.60 -0.24 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 1yuu h LYS 39 CO 0.12 0.72 0.49 0.93 -2.27 0.00 0.00 179.45 179.45 1yuu h GLU 40 N 1.11 0.41 0.47 1.90 5.08 -0.81 -0.71 114.58 122.03 1yuu h GLU 40 Ca 0.30 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 1yuu h GLU 40 Cb -0.12 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1yuu h GLU 40 CO -0.06 0.27 -0.22 1.25 -1.00 0.00 0.00 179.01 179.25 1yuu h LEU 41 N 0.43 -0.53 -0.74 1.33 7.12 -0.82 0.12 115.31 122.21 1yuu h LEU 41 Ca 0.35 -0.06 -0.09 0.00 0.13 0.00 0.00 57.88 58.21 1yuu h LEU 41 Cb 0.78 0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 41.03 1yuu h LEU 41 CO -0.11 -0.24 -0.02 -0.37 -0.13 0.00 0.00 178.44 177.57 1yuu h VAL 42 N -0.82 1.26 0.24 1.05 -1.51 -1.44 -0.18 116.25 114.85 1yuu h VAL 42 Ca -0.06 -1.12 -0.01 0.00 -1.23 0.00 0.00 66.70 64.28 1yuu h VAL 42 Cb 0.56 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 1yuu h VAL 42 CO 0.10 0.40 -0.12 0.74 -1.23 0.00 0.00 177.57 177.47 1yuu h THR 43 N 0.86 0.78 0.02 7.19 2.02 -1.11 -3.21 112.91 119.46 1yuu h THR 43 Ca 0.16 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 1yuu h THR 43 Cb 0.53 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1yuu h THR 43 CO 0.03 0.02 -0.01 -0.61 0.37 0.00 0.00 175.52 175.32 1yuu h GLN 44 N -0.37 -0.03 -1.85 6.66 4.15 -0.24 -3.43 115.11 120.00 1yuu h GLN 44 Ca -0.03 0.00 -0.46 0.00 0.77 0.00 0.00 58.65 58.93 1yuu h GLN 44 Cb 0.28 0.01 -0.31 0.00 0.21 0.00 0.00 27.48 27.66 1yuu h GLN 44 CO 0.05 0.69 -0.85 1.04 -1.93 0.00 0.00 178.83 177.84 1yuu n GLN 45 N -4.73 0.37 -2.69 1.69 6.02 -0.13 -4.93 117.38 112.98 1yuu n GLN 45 Ca -0.09 -2.82 -0.07 0.00 -0.01 0.00 0.00 57.00 54.01 1yuu n GLN 45 Cb 0.36 -1.55 0.09 0.00 1.02 0.00 0.00 30.24 30.16 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 2.63 -0.83 -4.77 1.08 7.94 -1.21 -4.74 117.00 117.10 1yuu n LEU 46 Ca 0.25 -3.50 -0.41 0.00 -1.11 0.00 0.00 56.01 51.24 1yuu n LEU 46 Cb 0.51 0.15 -0.02 0.00 0.53 0.00 0.00 43.42 44.59 1yuu n LEU 46 CO 0.07 1.77 0.95 -2.16 -1.11 0.00 0.00 177.39 176.90 1yuu s PRO 47 N -0.86 4.40 0.00 1.96 0.04 -1.26 -3.82 135.00 135.46 1yuu s PRO 47 Ca 0.23 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1yuu s PRO 47 Cb 0.42 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.87 1yuu s PRO 47 CO -0.05 -0.13 0.00 1.58 0.04 0.00 0.00 177.00 178.43 1yuu n HIS 48 N 0.91 0.00 0.00 0.56 -0.00 -1.26 -4.86 115.22 110.57 1yuu n HIS 48 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1yuu n HIS 48 Cb 0.42 -0.25 0.00 0.00 -0.00 0.00 0.00 29.99 30.16 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 0.00 0.00 -0.18 0.27 7.94 -1.25 -4.83 117.00 118.95 1yuu n LEU 49 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 1yuu n LEU 49 Cb 0.00 0.00 0.01 0.00 0.53 0.00 0.00 43.42 43.96 1yuu n LEU 49 CO 0.00 0.00 0.83 -0.07 -1.11 0.00 0.00 177.39 177.04 1yuu h LEU 50 N 0.00 0.85 0.00 -1.96 3.38 -1.89 -3.49 115.31 112.20 1yuu h LEU 50 Ca 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1yuu h LEU 50 Cb 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1yuu h LEU 50 CO 0.00 0.93 0.00 0.29 0.09 0.00 0.00 178.44 179.75 1yuu n LYS 51 N -4.35 0.00 -3.51 1.13 4.76 -1.26 -4.94 118.16 110.00 1yuu n LYS 51 Ca 0.01 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.25 1yuu n LYS 51 Cb 0.29 0.00 0.08 0.00 -1.84 0.00 0.00 35.03 33.56 1yuu n LYS 51 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1yuu n ASP 52 N -3.15 -4.56 0.17 4.39 2.03 -1.26 -4.87 116.55 109.30 1yuu n ASP 52 Ca 0.00 -0.56 0.19 0.00 0.52 0.00 0.00 54.79 54.94 1yuu n ASP 52 Cb 0.00 -4.99 0.77 0.00 -0.72 0.00 0.00 41.12 36.19 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 -2.34 0.29 0.00 5.18 -1.51 -1.92 -2.81 116.25 113.15 1yuu h VAL 53 Ca -0.57 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 1yuu h VAL 53 Cb 1.35 0.67 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 1yuu h VAL 53 CO 0.52 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.47 1yuu n GLY 54 N -1.41 -2.24 1.36 5.19 0.00 -1.26 -4.15 105.19 102.68 1yuu n GLY 54 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 1yuu n GLY 54 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1yuu n SER 55 N -0.75 3.79 -0.32 1.61 7.64 -1.16 -4.43 113.62 120.00 1yuu n SER 55 Ca 0.00 -2.43 0.18 0.00 1.01 0.00 0.00 58.87 57.64 1yuu n SER 55 Cb 0.00 -0.70 0.44 0.00 -1.01 0.00 0.00 64.21 62.94 1yuu n SER 55 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1yuu h LEU 56 N 1.42 0.57 -2.76 -3.43 7.12 -1.66 -0.91 115.31 115.65 1yuu h LEU 56 Ca 0.13 0.08 0.00 0.00 0.13 0.00 0.00 57.88 58.23 1yuu h LEU 56 Cb 1.30 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.41 1yuu h LEU 56 CO 0.26 0.17 0.05 0.44 -0.13 0.00 0.00 178.44 179.23 1yuu h ASP 57 N 0.53 0.00 0.23 1.25 5.19 -1.90 0.36 116.42 122.08 1yuu h ASP 57 Ca 0.57 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.68 1yuu h ASP 57 Cb 1.21 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.76 1yuu h ASP 57 CO -0.31 0.00 -1.32 1.05 -3.12 0.00 0.00 179.24 175.54 1yuu h GLU 58 N 0.00 0.48 -0.51 3.56 4.11 -1.54 -3.26 114.58 117.42 1yuu h GLU 58 Ca 0.00 -0.82 0.08 0.00 0.07 0.00 0.00 59.36 58.70 1yuu h GLU 58 Cb 0.11 0.30 -0.07 0.00 0.50 0.00 0.00 28.75 29.59 1yuu h GLU 58 CO 0.00 1.39 0.12 0.87 0.07 0.00 0.00 179.01 181.46 1yuu h LYS 59 N 0.01 0.25 -0.77 1.06 6.56 -0.51 0.54 116.57 123.72 1yuu h LYS 59 Ca -0.23 -0.02 0.14 0.00 -1.06 0.00 0.00 60.65 59.49 1yuu h LYS 59 Cb 2.03 -0.06 -0.14 0.00 -0.57 0.00 0.00 32.23 33.49 1yuu h LYS 59 CO 0.24 0.17 -0.27 1.98 -2.06 0.00 0.00 179.45 179.51 1yuu h MET 60 N 0.26 -0.05 -0.10 3.15 4.05 -0.89 0.35 114.93 121.70 1yuu h MET 60 Ca 0.26 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.64 1yuu h MET 60 Cb 0.34 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.14 1yuu h MET 60 CO -0.32 -0.03 -0.09 0.87 0.23 0.00 0.00 176.91 177.57 1yuu h LYS 61 N -0.05 0.24 -0.38 0.39 1.57 -1.18 0.11 116.57 117.27 1yuu h LYS 61 Ca 0.33 -0.12 0.08 0.00 -1.87 0.00 0.00 60.65 59.07 1yuu h LYS 61 Cb 0.58 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1yuu h LYS 61 CO -0.80 0.64 0.26 0.77 -0.57 0.00 0.00 179.45 179.75 1yuu h SER 62 N -0.15 0.16 0.22 0.86 0.02 -0.15 -2.78 113.55 111.72 1yuu h SER 62 Ca 0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1yuu h SER 62 Cb 0.59 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1yuu h SER 62 CO 0.02 0.10 -0.10 -0.07 -1.14 0.00 0.00 176.83 175.64 1yuu h LEU 63 N 0.18 -0.25 -7.10 5.07 3.38 -0.17 -3.40 115.31 113.01 1yuu h LEU 63 Ca 0.17 0.01 -0.62 0.00 0.09 0.00 0.00 57.88 57.53 1yuu h LEU 63 Cb 0.47 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1yuu h LEU 63 CO -0.03 0.21 2.28 -0.67 0.09 0.00 0.00 178.44 180.32 1yuu n ASP 64 N -4.92 3.86 -0.30 -0.43 -0.08 0.38 -4.79 116.55 110.28 1yuu n ASP 64 Ca -0.04 -2.81 0.25 0.00 -1.51 0.00 0.00 54.79 50.68 1yuu n ASP 64 Cb 0.11 -1.61 0.57 0.00 2.34 0.00 0.00 41.12 42.53 1yuu n ASP 64 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1yuu h VAL 65 N 5.03 0.53 0.03 5.18 -1.51 -1.80 -1.70 116.25 122.02 1yuu h VAL 65 Ca 0.44 -0.10 -0.31 0.00 -1.23 0.00 0.00 66.70 65.50 1yuu h VAL 65 Cb 0.78 0.21 -0.04 0.00 -2.13 0.00 0.00 31.29 30.11 1yuu h VAL 65 CO 1.63 0.05 -1.75 -0.55 -1.23 0.00 0.00 177.57 175.72 1yuu h ASN 66 N 0.29 0.10 -5.99 4.19 7.08 -1.90 -3.49 115.58 115.87 1yuu h ASN 66 Ca 0.55 -0.22 -0.41 0.00 -3.08 0.00 0.00 56.30 53.14 1yuu h ASN 66 Cb 1.59 -0.03 0.08 0.00 -2.08 0.00 0.00 38.32 37.88 1yuu h ASN 66 CO -0.20 1.20 -0.75 1.67 -2.08 0.00 0.00 177.43 177.26 1yuu n GLN 67 N -3.15 -6.40 -0.31 4.14 7.27 -0.64 -4.89 117.38 113.40 1yuu n GLN 67 Ca -0.20 0.72 0.10 0.00 0.07 0.00 0.00 57.00 57.70 1yuu n GLN 67 Cb 1.05 -5.63 0.26 0.00 2.41 0.00 0.00 30.24 28.34 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 -2.20 0.53 0.00 1.69 3.04 -1.95 -3.47 116.42 114.06 1yuu h ASP 68 Ca -0.59 0.11 0.00 0.00 -3.24 0.00 0.00 57.03 53.31 1yuu h ASP 68 Cb 1.36 0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.68 1yuu h ASP 68 CO 0.58 0.17 0.00 -0.24 -2.04 0.00 0.00 179.24 177.72 1yuu n SER 69 N -4.89 0.00 -3.87 4.15 2.88 -1.26 -5.14 113.62 105.49 1yuu n SER 69 Ca 0.19 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.52 1yuu n SER 69 Cb 0.52 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.81 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 -0.05 0.84 -1.33 -1.46 8.01 -1.26 -4.63 118.70 118.81 1yuu s GLU 70 Ca 0.00 -0.07 -0.17 0.00 0.01 0.00 0.00 54.97 54.74 1yuu s GLU 70 Cb 0.00 -0.92 0.07 0.00 -4.31 0.00 0.00 34.13 28.97 1yuu s GLU 70 CO 0.00 -0.14 1.84 1.28 0.01 0.00 0.00 175.26 178.26 1yuu n LEU 71 N 4.33 5.41 -4.43 1.80 7.99 0.79 -4.84 117.00 128.05 1yuu n LEU 71 Ca -0.20 -4.00 -0.36 0.00 -0.01 0.00 0.00 56.01 51.44 1yuu n LEU 71 Cb 0.51 -1.72 0.06 0.00 -0.11 0.00 0.00 43.42 42.16 1yuu n LEU 71 CO 0.20 0.40 -0.05 1.17 -1.51 0.00 0.00 177.39 177.61 1yuu n LYS 72 N 7.73 0.26 -0.40 3.23 3.00 -1.26 -0.72 118.16 129.99 1yuu n LYS 72 Ca 0.49 0.12 -0.10 0.00 -0.00 0.00 0.00 58.31 58.82 1yuu n LYS 72 Cb 0.44 -1.73 -0.09 0.00 0.00 0.00 0.00 35.03 33.64 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 -2.34 -0.41 -0.30 5.64 -0.00 -0.66 0.21 117.46 119.60 1yuu n PHE 73 Ca 0.09 1.18 -0.06 0.00 -0.00 0.00 0.00 57.45 58.67 1yuu n PHE 73 Cb 0.50 -0.58 0.07 0.00 -0.00 0.00 0.00 39.48 39.47 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 1.11 -0.62 -2.13 -1.24 -1.89 0.19 115.58 111.00 1yuu h ASN 74 Ca 0.15 -0.17 -0.05 0.00 0.71 0.00 0.00 56.30 56.95 1yuu h ASN 74 Cb 0.39 -0.29 -0.03 0.00 0.73 0.00 0.00 38.32 39.13 1yuu h ASN 74 CO -0.89 0.97 0.19 -0.33 -1.29 0.00 0.00 177.43 176.08 1yuu h GLU 75 N 1.18 0.97 0.22 6.67 5.08 -0.54 -0.34 114.58 127.82 1yuu h GLU 75 Ca 0.27 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1yuu h GLU 75 Cb 0.20 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1yuu h GLU 75 CO -0.02 0.86 -0.11 -0.92 -1.00 0.00 0.00 179.01 177.82 1yuu h TYR 76 N 0.89 -0.28 -0.99 4.33 3.20 -0.34 -3.09 116.97 120.69 1yuu h TYR 76 Ca 0.20 -0.01 0.36 0.00 3.14 0.00 0.00 58.73 62.43 1yuu h TYR 76 Cb 0.30 0.09 -0.18 0.00 1.54 0.00 0.00 36.73 38.48 1yuu h TYR 76 CO 0.02 0.09 0.37 2.35 -1.64 0.00 0.00 178.16 179.35 1yuu h TRP 77 N -0.73 0.54 -0.93 -3.82 2.91 -0.57 0.49 115.95 113.83 1yuu h TRP 77 Ca -0.03 0.05 0.16 0.00 1.13 0.00 0.00 58.89 60.20 1yuu h TRP 77 Cb 0.50 -0.07 -0.16 0.00 -0.51 0.00 0.00 29.16 28.91 1yuu h TRP 77 CO 0.05 -0.44 -0.31 -2.13 -1.03 0.00 0.00 178.44 174.58 1yuu n ARG 78 N -5.32 -0.16 -0.32 2.65 0.63 -0.14 0.25 116.66 114.25 1yuu n ARG 78 Ca 0.33 1.45 0.20 0.00 -0.92 0.00 0.00 57.85 58.90 1yuu n ARG 78 Cb 1.09 -2.15 0.40 0.00 0.45 0.00 0.00 32.46 32.25 1yuu n ARG 78 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1yuu h LEU 79 N 0.00 0.17 -0.29 6.15 5.85 -1.04 0.29 115.31 126.44 1yuu h LEU 79 Ca 0.38 0.21 -0.09 0.00 0.84 0.00 0.00 57.88 59.22 1yuu h LEU 79 Cb 0.61 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 1yuu h LEU 79 CO -0.94 -0.22 -0.17 0.40 -0.34 0.00 0.00 178.44 177.17 1yuu h ILE 80 N 0.19 1.30 -0.25 4.05 2.04 -0.35 0.25 117.51 124.74 1yuu h ILE 80 Ca 0.67 -1.29 0.01 0.00 1.00 0.00 0.00 64.86 65.25 1yuu h ILE 80 Cb 1.50 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 39.06 1yuu h ILE 80 CO -0.69 0.41 0.14 1.23 0.00 0.00 0.00 178.15 179.25 1yuu h GLY 81 N 0.38 0.34 0.86 5.37 0.00 -0.48 -2.51 103.07 107.03 1yuu h GLY 81 Ca 0.06 -0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.32 1yuu h GLY 81 CO 0.05 0.10 0.66 0.83 0.00 0.00 0.00 176.54 178.18 1yuu h GLU 82 N 0.30 1.22 -0.28 4.80 4.39 -0.08 -1.65 114.58 123.28 1yuu h GLU 82 Ca 0.10 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.76 1yuu h GLU 82 Cb -0.01 -0.27 -0.04 0.00 -0.10 0.00 0.00 28.75 28.33 1yuu h GLU 82 CO -0.04 0.81 0.05 -0.07 -1.16 0.00 0.00 179.01 178.60 1yuu h LEU 83 N 1.25 0.01 -2.17 1.33 3.38 -0.12 0.20 115.31 119.19 1yuu h LEU 83 Ca 0.41 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.46 1yuu h LEU 83 Cb 0.03 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1yuu h LEU 83 CO -0.13 0.04 0.11 0.00 0.09 0.00 0.00 178.44 178.55 1yuu h ALA 84 N 1.20 1.91 0.21 1.53 0.00 -0.91 0.62 119.26 123.83 1yuu h ALA 84 Ca 0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1yuu h ALA 84 Cb 0.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1yuu h ALA 84 CO -0.17 -0.17 -0.10 -0.22 0.00 0.00 0.00 179.25 178.58 1yuu h LYS 85 N 0.00 -0.27 -0.60 0.00 3.64 -0.82 -3.36 116.57 115.16 1yuu h LYS 85 Ca 0.06 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.58 1yuu h LYS 85 Cb 0.28 0.06 -0.11 0.00 -0.41 0.00 0.00 32.23 32.05 1yuu h LYS 85 CO -0.00 -0.18 -0.09 0.93 -2.27 0.00 0.00 179.45 177.84 1yuu h GLU 86 N -1.01 0.04 -1.00 1.90 4.39 0.26 0.33 114.58 119.49 1yuu h GLU 86 Ca -0.03 -0.00 0.19 0.00 0.34 0.00 0.00 59.36 59.86 1yuu h GLU 86 Cb 0.22 -0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 28.75 1yuu h GLU 86 CO 0.05 0.03 0.61 0.97 -1.16 0.00 0.00 179.01 179.51 1yuu h ILE 87 N 0.04 0.70 0.02 3.13 2.10 -1.12 -1.49 117.51 120.90 1yuu h ILE 87 Ca 0.30 -0.26 -0.25 0.00 1.08 0.00 0.00 64.86 65.73 1yuu h ILE 87 Cb 0.47 -0.11 -0.03 0.00 -1.09 0.00 0.00 36.82 36.05 1yuu h ILE 87 CO -0.58 0.14 -1.28 -0.09 -1.08 0.00 0.00 178.15 175.26 1yuu h ARG 88 N 0.75 0.05 -0.71 2.19 1.12 -0.66 -3.37 114.38 113.74 1yuu h ARG 88 Ca 0.58 -0.08 -0.41 0.00 -1.11 0.00 0.00 59.98 58.96 1yuu h ARG 88 Cb 0.92 0.03 -0.23 0.00 -0.01 0.00 0.00 29.97 30.67 1yuu h ARG 88 CO -0.38 0.88 0.25 1.17 -3.11 0.00 0.00 179.97 178.79 1yuu n LYS 89 N -3.29 2.27 0.16 0.20 4.81 0.64 -4.83 118.16 118.11 1yuu n LYS 89 Ca -0.07 -3.24 -0.07 0.00 -0.87 0.00 0.00 58.31 54.06 1yuu n LYS 89 Cb 0.99 -2.06 -0.03 0.00 0.02 0.00 0.00 35.03 33.95 1yuu n LYS 89 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1yuu h LYS 90 N 1.27 -0.41 0.00 1.64 1.57 -1.62 -3.25 116.57 115.77 1yuu h LYS 90 Ca 0.44 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.24 1yuu h LYS 90 Cb 1.92 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 34.32 1yuu h LYS 90 CO 0.86 -0.27 -0.05 0.87 -0.57 0.00 0.00 179.45 180.28 1yuu h LYS 91 N -0.60 0.00 -0.99 3.15 1.57 -1.80 0.40 116.57 118.31 1yuu h LYS 91 Ca -0.04 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.82 1yuu h LYS 91 Cb 0.33 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.57 1yuu h LYS 91 CO 0.07 0.05 0.63 0.22 -0.57 0.00 0.00 179.45 179.86 1yuu h ASP 92 N 0.00 0.98 0.00 0.86 1.82 -1.94 -3.41 116.42 114.73 1yuu h ASP 92 Ca -0.00 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1yuu h ASP 92 Cb 0.16 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 39.98 1yuu h ASP 92 CO 0.01 0.60 -0.30 -0.11 -1.61 0.00 0.00 179.24 177.82 1yuu n LEU 93 N -4.53 0.42 -4.73 2.28 7.94 0.05 -5.06 117.00 113.37 1yuu n LEU 93 Ca 0.16 0.14 -0.30 0.00 -1.11 0.00 0.00 56.01 54.90 1yuu n LEU 93 Cb 0.24 -0.06 0.12 0.00 0.53 0.00 0.00 43.42 44.25 1yuu n LEU 93 CO 0.31 -0.50 0.68 -0.54 -1.11 0.00 0.00 177.39 176.22 1yuu s LYS 94 N -2.00 1.59 0.41 1.96 3.01 0.12 -4.98 119.74 119.85 1yuu s LYS 94 Ca 0.00 1.00 -0.24 0.00 -1.01 0.00 0.00 55.97 55.72 1yuu s LYS 94 Cb 0.00 -1.83 -0.12 0.00 -1.01 0.00 0.00 37.83 34.87 1yuu s LYS 94 CO 0.00 -2.06 0.82 1.51 0.51 0.00 0.00 175.35 176.13 1yuu n ILE 95 N -3.78 2.18 -1.66 2.17 3.06 -1.26 -4.35 119.36 115.71 1yuu n ILE 95 Ca 0.08 -0.50 -0.37 0.00 -2.50 0.00 0.00 62.75 59.46 1yuu n ILE 95 Cb 0.54 -0.87 -0.03 0.00 0.54 0.00 0.00 39.64 39.82 1yuu n ILE 95 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 1yuu s ARG 96 N -1.80 2.26 -0.29 9.51 0.52 -1.26 -4.66 118.95 123.23 1yuu s ARG 96 Ca 0.63 1.28 -0.25 0.00 -0.52 0.00 0.00 55.73 56.87 1yuu s ARG 96 Cb -0.60 -4.53 0.16 0.00 0.52 0.00 0.00 34.95 30.50 1yuu s ARG 96 CO 0.57 -3.11 1.27 0.15 0.02 0.00 0.00 175.30 174.20 1yuu s LYS 97 N 7.91 0.25 0.00 3.54 -0.14 -1.26 -5.09 119.74 124.95 1yuu s LYS 97 Ca 0.91 0.27 0.00 0.00 -1.36 0.00 0.00 55.97 55.80 1yuu s LYS 97 Cb -0.17 0.12 0.00 0.00 -1.68 0.00 0.00 37.83 36.10 1yuu s LYS 97 CO 0.25 -0.03 0.19 0.36 -0.76 0.00 0.00 175.35 175.36