#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1thn s LEU 3 N 0.00 2.03 -0.20 2.46 2.96 -1.26 0.74 118.68 125.41 1thn s LEU 3 Ca 0.00 -0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 53.80 1thn s LEU 3 Cb 0.00 -0.17 0.00 0.00 0.50 0.00 0.00 46.19 46.52 1thn s LEU 3 CO 0.00 0.02 -0.12 0.00 -1.32 0.00 0.00 176.35 174.94 1thn s ALA 4 N -0.18 2.59 -0.26 5.97 0.00 0.37 -4.97 121.76 125.28 1thn s ALA 4 Ca 0.00 -1.16 -0.04 0.00 0.00 0.00 0.00 51.96 50.76 1thn s ALA 4 Cb -0.02 -1.44 0.01 0.00 0.00 0.00 0.00 23.12 21.67 1thn s ALA 4 CO -0.00 -0.33 -0.00 0.42 0.00 0.00 0.00 175.76 175.84 1thn s ILE 5 N 1.30 3.37 -0.14 0.00 1.01 -1.26 -1.49 121.20 123.99 1thn s ILE 5 Ca 0.04 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 1thn s ILE 5 Cb -0.14 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 1thn s ILE 5 CO -0.06 0.19 -0.11 -0.62 0.00 0.00 0.00 174.94 174.34 1thn s ASP 6 N 1.42 4.10 -0.00 3.58 2.15 -0.56 -4.98 116.67 122.37 1thn s ASP 6 Ca 0.02 -0.32 0.06 0.00 0.43 0.00 0.00 52.55 52.74 1thn s ASP 6 Cb -0.16 -1.64 -0.02 0.00 -0.30 0.00 0.00 42.92 40.80 1thn s ASP 6 CO -0.02 0.14 -0.18 -0.76 -0.17 0.00 0.00 175.17 174.18 1thn s LEU 7 N 0.48 2.07 -0.00 -1.34 1.43 -1.26 0.82 118.68 120.87 1thn s LEU 7 Ca -0.08 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1thn s LEU 7 Cb -0.16 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.15 1thn s LEU 7 CO 0.04 0.20 -0.00 -0.70 0.23 0.00 0.00 176.35 176.12 1thn s GLU 8 N -0.60 0.03 -0.29 1.70 2.12 0.61 -4.97 118.70 117.30 1thn s GLU 8 Ca 0.07 0.00 -0.06 0.00 0.36 0.00 0.00 54.97 55.34 1thn s GLU 8 Cb -0.07 -0.06 0.01 0.00 0.26 0.00 0.00 34.13 34.27 1thn s GLU 8 CO -0.00 -0.01 0.06 0.08 -0.54 0.00 0.00 175.26 174.85 1thn s VAL 9 N 0.10 3.83 -1.03 3.70 1.01 -1.26 0.60 120.40 127.35 1thn s VAL 9 Ca -0.01 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 1thn s VAL 9 Cb -0.01 -2.96 0.26 0.00 0.00 0.00 0.00 36.38 33.66 1thn s VAL 9 CO -0.00 0.11 0.99 0.29 0.00 0.00 0.00 175.10 176.48 1thn n LYS 10 N 4.84 3.19 0.00 2.72 5.02 0.21 -4.95 118.16 129.19 1thn n LYS 10 Ca -0.15 -4.47 0.00 0.00 -2.02 0.00 0.00 58.31 51.67 1thn n LYS 10 Cb 0.48 -2.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.00 1thn n LYS 10 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1thn n GLN 11 N 2.49 0.00 -0.29 1.97 6.02 -1.26 -2.92 117.38 123.39 1thn n GLN 11 Ca 0.23 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.17 1thn n GLN 11 Cb 0.38 0.00 0.05 0.00 1.02 0.00 0.00 30.24 31.69 1thn n GLN 11 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1thn n ASP 12 N 6.97 3.03 -3.93 1.08 5.75 -1.26 -4.79 116.55 123.39 1thn n ASP 12 Ca 0.00 -2.37 -0.26 0.00 -0.01 0.00 0.00 54.79 52.15 1thn n ASP 12 Cb 0.00 -0.58 -0.17 0.00 -1.03 0.00 0.00 41.12 39.34 1thn n ASP 12 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1thn s VAL 13 N -0.91 1.00 -0.25 2.12 1.01 -1.15 -0.53 120.40 121.69 1thn s VAL 13 Ca 0.14 -0.31 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 1thn s VAL 13 Cb 0.12 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 1thn s VAL 13 CO 0.03 0.35 0.15 -0.22 0.00 0.00 0.00 175.10 175.41 1thn s LEU 14 N 1.39 3.94 -0.32 3.92 2.96 -0.10 -0.62 118.68 129.86 1thn s LEU 14 Ca -0.01 0.01 -0.11 0.00 -0.22 0.00 0.00 54.13 53.80 1thn s LEU 14 Cb -0.14 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 1thn s LEU 14 CO -0.04 0.02 0.20 -0.63 -1.32 0.00 0.00 176.35 174.57 1thn s ILE 15 N 1.34 5.00 -0.34 6.68 1.01 0.20 0.54 121.20 135.62 1thn s ILE 15 Ca 0.07 -0.25 -0.08 0.00 0.00 0.00 0.00 60.65 60.39 1thn s ILE 15 Cb -0.15 -3.53 0.03 0.00 0.01 0.00 0.00 42.46 38.82 1thn s ILE 15 CO 0.06 0.06 0.13 -0.69 0.00 0.00 0.00 174.94 174.51 1thn s VAL 16 N 1.68 4.08 -0.44 2.92 1.01 0.30 -0.28 120.40 129.67 1thn s VAL 16 Ca 0.06 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 1thn s VAL 16 Cb -0.17 -3.26 0.09 0.00 0.00 0.00 0.00 36.38 33.04 1thn s VAL 16 CO 0.09 -0.15 0.30 -0.13 0.00 0.00 0.00 175.10 175.21 1thn s ARG 17 N 1.47 2.61 0.08 2.72 0.52 0.24 -0.71 118.95 125.88 1thn s ARG 17 Ca 0.00 -1.54 -0.11 0.00 -0.52 0.00 0.00 55.73 53.56 1thn s ARG 17 Cb -0.19 -3.86 -0.06 0.00 0.52 0.00 0.00 34.95 31.36 1thn s ARG 17 CO 0.04 -1.03 0.43 -0.51 0.02 0.00 0.00 175.30 174.24 1thn s LEU 18 N 1.43 4.37 -0.06 2.53 1.43 -1.16 -1.50 118.68 125.72 1thn s LEU 18 Ca 0.04 0.87 -0.02 0.00 -1.03 0.00 0.00 54.13 53.99 1thn s LEU 18 Cb -0.24 -2.96 0.04 0.00 0.03 0.00 0.00 46.19 43.05 1thn s LEU 18 CO 0.02 0.19 0.11 -0.55 0.23 0.00 0.00 176.35 176.35 1thn s SER 19 N -1.64 0.16 0.00 2.29 0.15 -0.56 -3.67 113.70 110.44 1thn s SER 19 Ca 0.32 0.23 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1thn s SER 19 Cb -0.15 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1thn s SER 19 CO 0.17 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1thn n GLY 20 N 4.46 0.11 3.46 9.45 0.00 -0.91 0.14 105.19 121.89 1thn n GLY 20 Ca -0.22 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 1thn n GLY 20 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1thn s GLU 21 N 0.00 2.29 -0.52 1.61 2.02 0.23 0.24 118.70 124.57 1thn s GLU 21 Ca 0.00 -0.84 0.04 0.00 0.02 0.00 0.00 54.97 54.19 1thn s GLU 21 Cb 0.00 -2.27 0.13 0.00 0.10 0.00 0.00 34.13 32.09 1thn s GLU 21 CO 0.00 0.58 0.26 -1.17 0.02 0.00 0.00 175.26 174.95 1thn s LEU 22 N -1.05 4.21 0.45 1.80 2.96 0.57 -4.34 118.68 123.29 1thn s LEU 22 Ca 0.13 -3.01 0.03 0.00 -0.22 0.00 0.00 54.13 51.06 1thn s LEU 22 Cb -0.11 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 1thn s LEU 22 CO 0.03 -0.23 0.07 1.51 -1.32 0.00 0.00 176.35 176.41 1thn s ASP 23 N -0.28 3.35 0.26 3.68 -4.77 -1.26 -3.00 116.67 114.64 1thn s ASP 23 Ca 0.17 -1.65 -0.10 0.00 -3.30 0.00 0.00 52.55 47.66 1thn s ASP 23 Cb -0.26 0.48 0.38 0.00 -1.09 0.00 0.00 42.92 42.44 1thn s ASP 23 CO -0.00 -0.88 1.50 1.57 0.70 0.00 0.00 175.17 178.05 1thn n HIS 24 N -1.05 0.26 0.32 2.11 -0.00 -1.26 -0.31 115.22 115.29 1thn n HIS 24 Ca -0.11 1.18 -0.17 0.00 -0.00 0.00 0.00 57.72 58.62 1thn n HIS 24 Cb 0.66 -1.00 -0.08 0.00 -0.00 0.00 0.00 29.99 29.56 1thn n HIS 24 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1thn h HIS 25 N 0.00 -0.86 -0.17 1.57 -0.00 -1.98 -3.18 115.15 110.54 1thn h HIS 25 Ca 0.43 -0.01 -0.11 0.00 -0.00 0.00 0.00 60.37 60.68 1thn h HIS 25 Cb 0.67 0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 28.37 1thn h HIS 25 CO -0.77 -0.50 -0.37 1.79 -0.00 0.00 0.00 177.93 178.08 1thn h THR 26 N -0.83 1.29 -0.91 6.26 1.35 -1.66 -3.13 112.91 115.29 1thn h THR 26 Ca -0.07 -1.45 0.10 0.00 -0.55 0.00 0.00 66.41 64.44 1thn h THR 26 Cb 0.67 1.57 -0.08 0.00 -1.73 0.00 0.00 68.15 68.58 1thn h THR 26 CO 0.08 0.44 0.55 0.00 -0.25 0.00 0.00 175.52 176.34 1thn h ALA 27 N 1.31 1.33 0.00 6.62 0.00 -0.68 -0.03 119.26 127.81 1thn h ALA 27 Ca 0.03 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1thn h ALA 27 Cb 0.79 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1thn h ALA 27 CO 0.06 0.17 -0.22 0.93 0.00 0.00 0.00 179.25 180.19 1thn h GLU 28 N 0.90 0.00 0.05 0.00 4.39 -1.52 0.84 114.58 119.23 1thn h GLU 28 Ca 0.44 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.91 1thn h GLU 28 Cb 0.41 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1thn h GLU 28 CO -0.25 0.22 -1.04 1.49 -1.16 0.00 0.00 179.01 178.27 1thn h GLU 29 N 0.00 0.30 0.02 2.33 4.57 -1.11 -2.54 114.58 118.15 1thn h GLU 29 Ca -0.00 -0.39 -0.18 0.00 -1.18 0.00 0.00 59.36 57.61 1thn h GLU 29 Cb 0.47 0.12 0.02 0.00 -0.16 0.00 0.00 28.75 29.20 1thn h GLU 29 CO 0.03 1.11 -0.72 1.25 -1.18 0.00 0.00 179.01 179.50 1thn h LEU 30 N 0.14 0.60 -2.49 1.64 5.85 -0.58 -0.75 115.31 119.71 1thn h LEU 30 Ca -0.09 -0.78 0.02 0.00 0.84 0.00 0.00 57.88 57.87 1thn h LEU 30 Cb 1.71 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.55 1thn h LEU 30 CO 0.17 1.30 0.12 -0.09 -0.34 0.00 0.00 178.44 179.60 1thn h ARG 31 N -0.04 0.00 0.10 1.25 2.43 0.63 -1.17 114.38 117.58 1thn h ARG 31 Ca -0.10 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.77 1thn h ARG 31 Cb 1.43 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.97 1thn h ARG 31 CO 0.14 0.00 -1.64 1.49 -1.51 0.00 0.00 179.97 178.45 1thn h GLU 32 N 0.00 0.21 -0.18 0.20 4.81 -1.23 -3.27 114.58 115.13 1thn h GLU 32 Ca 0.03 -0.36 -0.15 0.00 -0.13 0.00 0.00 59.36 58.75 1thn h GLU 32 Cb 0.27 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1thn h GLU 32 CO -0.00 1.17 -0.51 1.96 -0.73 0.00 0.00 179.01 180.90 1thn h GLN 33 N -0.27 0.49 0.22 1.92 4.20 -0.54 -3.22 115.11 117.89 1thn h GLN 33 Ca -0.37 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.04 1thn h GLN 33 Cb 1.80 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.60 1thn h GLN 33 CO 0.02 0.88 -0.10 0.28 -0.67 0.00 0.00 178.83 179.24 1thn h VAL 34 N 0.38 0.82 -0.93 -0.54 2.07 -1.42 -3.20 116.25 113.44 1thn h VAL 34 Ca 0.02 -0.85 0.24 0.00 0.82 0.00 0.00 66.70 66.93 1thn h VAL 34 Cb 1.02 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 32.01 1thn h VAL 34 CO 0.09 0.17 0.63 0.71 0.02 0.00 0.00 177.57 179.20 1thn h THR 35 N -0.76 0.60 0.00 2.57 1.35 -1.66 0.61 112.91 115.63 1thn h THR 35 Ca -0.03 -0.08 -0.03 0.00 -0.55 0.00 0.00 66.41 65.72 1thn h THR 35 Cb 0.50 0.33 -0.00 0.00 -1.73 0.00 0.00 68.15 67.25 1thn h THR 35 CO 0.05 0.04 -0.12 0.44 -0.25 0.00 0.00 175.52 175.68 1thn h ASP 36 N 0.25 0.00 0.11 5.36 3.45 -1.56 -1.69 116.42 122.33 1thn h ASP 36 Ca 0.47 0.00 -0.20 0.00 0.43 0.00 0.00 57.03 57.74 1thn h ASP 36 Cb 1.45 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 40.22 1thn h ASP 36 CO -0.13 0.12 -0.96 0.58 -1.57 0.00 0.00 179.24 177.28 1thn h VAL 37 N 0.00 1.34 -0.08 -1.35 2.07 0.16 -2.75 116.25 115.63 1thn h VAL 37 Ca -0.00 -2.45 0.02 0.00 0.82 0.00 0.00 66.70 65.10 1thn h VAL 37 Cb 0.34 2.99 -0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1thn h VAL 37 CO 0.02 0.68 0.07 -0.07 0.02 0.00 0.00 177.57 178.28 1thn h LEU 38 N -0.46 0.00 0.24 2.57 3.38 -1.08 0.61 115.31 120.57 1thn h LEU 38 Ca -0.20 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.43 1thn h LEU 38 Cb 1.59 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.37 1thn h LEU 38 CO 0.08 0.00 -1.56 -0.33 0.09 0.00 0.00 178.44 176.72 1thn h GLU 39 N 0.00 0.50 0.00 1.13 5.08 -1.40 -3.37 114.58 116.52 1thn h GLU 39 Ca 0.04 -0.86 -0.22 0.00 -1.00 0.00 0.00 59.36 57.32 1thn h GLU 39 Cb 0.17 0.32 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1thn h GLU 39 CO -0.00 1.41 -1.17 -0.91 -1.00 0.00 0.00 179.01 177.34 1thn h ASN 40 N 0.14 0.00 -4.06 1.42 2.35 -1.08 -3.46 115.58 110.88 1thn h ASN 40 Ca -0.28 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 54.91 1thn h ASN 40 Cb 2.16 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 40.31 1thn h ASN 40 CO 0.25 0.93 -0.82 -0.13 -1.65 0.00 0.00 177.43 176.01 1thn s ARG 41 N -2.72 1.15 -1.27 0.81 0.52 0.21 -5.08 118.95 112.58 1thn s ARG 41 Ca -0.00 -1.21 -0.15 0.00 -0.52 0.00 0.00 55.73 53.85 1thn s ARG 41 Cb 0.09 -1.39 0.13 0.00 0.52 0.00 0.00 34.95 34.30 1thn s ARG 41 CO 0.81 0.32 1.65 0.00 0.02 0.00 0.00 175.30 178.10 1thn n ALA 42 N 0.94 4.07 -2.70 2.13 0.00 -1.26 -4.27 120.51 119.42 1thn n ALA 42 Ca -0.18 -4.10 -0.42 0.00 0.00 0.00 0.00 53.44 48.73 1thn n ALA 42 Cb 0.54 -3.26 -0.03 0.00 0.00 0.00 0.00 19.45 16.70 1thn n ALA 42 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1thn s ILE 43 N 2.40 4.82 -0.18 0.00 -1.09 -1.26 -4.59 121.20 121.30 1thn s ILE 43 Ca 0.46 2.04 0.07 0.00 -2.23 0.00 0.00 60.65 61.00 1thn s ILE 43 Cb 0.02 -4.31 -0.22 0.00 -1.58 0.00 0.00 42.46 36.37 1thn s ILE 43 CO 0.02 0.07 0.10 -1.14 -1.23 0.00 0.00 174.94 172.77 1thn n ARG 44 N 4.53 0.68 -4.23 2.79 0.63 0.31 -4.92 116.66 116.44 1thn n ARG 44 Ca 0.07 0.14 -0.13 0.00 -0.92 0.00 0.00 57.85 57.01 1thn n ARG 44 Cb 0.50 -1.59 -0.10 0.00 0.45 0.00 0.00 32.46 31.71 1thn n ARG 44 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1thn s HIS 45 N -2.53 1.21 -0.01 -0.14 3.76 -0.73 -3.22 115.29 113.63 1thn s HIS 45 Ca -0.20 -1.16 0.02 0.00 -0.15 0.00 0.00 55.06 53.57 1thn s HIS 45 Cb 0.07 -0.68 0.00 0.00 1.11 0.00 0.00 32.58 33.09 1thn s HIS 45 CO 0.74 -0.38 -0.07 0.42 -0.85 0.00 0.00 174.74 174.61 1thn s ILE 46 N -3.84 0.56 -0.09 0.60 1.01 -0.40 -0.92 121.20 118.12 1thn s ILE 46 Ca 0.30 -0.27 -0.02 0.00 0.00 0.00 0.00 60.65 60.66 1thn s ILE 46 Cb 0.07 -0.50 -0.03 0.00 0.01 0.00 0.00 42.46 42.01 1thn s ILE 46 CO 0.07 0.18 -0.01 -0.69 0.00 0.00 0.00 174.94 174.48 1thn s VAL 47 N 0.07 4.16 -0.28 2.92 1.01 0.19 -0.96 120.40 127.50 1thn s VAL 47 Ca -0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 1thn s VAL 47 Cb -0.05 -2.75 0.09 0.00 0.00 0.00 0.00 36.38 33.67 1thn s VAL 47 CO -0.00 0.59 0.06 -0.22 0.00 0.00 0.00 175.10 175.54 1thn s LEU 48 N -0.75 2.34 -0.93 3.92 2.96 0.22 -0.54 118.68 125.90 1thn s LEU 48 Ca 0.12 -1.49 -0.20 0.00 -0.22 0.00 0.00 54.13 52.34 1thn s LEU 48 Cb -0.11 -0.93 0.11 0.00 0.50 0.00 0.00 46.19 45.76 1thn s LEU 48 CO 0.02 -0.37 1.18 0.21 -1.32 0.00 0.00 176.35 176.07 1thn s ASN 49 N 1.56 6.58 -0.06 3.68 3.84 0.11 -0.28 114.94 130.38 1thn s ASN 49 Ca 0.06 -1.88 0.03 0.00 0.21 0.00 0.00 52.86 51.28 1thn s ASN 49 Cb -0.18 -2.43 0.19 0.00 -0.55 0.00 0.00 41.25 38.28 1thn s ASN 49 CO -0.18 -1.16 0.83 0.18 -2.79 0.00 0.00 177.10 173.97 1thn n LEU 50 N 7.03 2.28 -0.28 3.21 4.77 -0.12 -3.01 117.00 130.89 1thn n LEU 50 Ca 0.24 -1.16 -0.04 0.00 -0.03 0.00 0.00 56.01 55.02 1thn n LEU 50 Cb 0.49 -0.55 0.07 0.00 -2.33 0.00 0.00 43.42 41.10 1thn n LEU 50 CO 0.54 0.37 1.20 1.23 -1.33 0.00 0.00 177.39 179.39 1thn h GLY 51 N 4.63 1.08 -2.42 -0.72 0.00 -1.54 -3.07 103.07 101.03 1thn h GLY 51 Ca 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1thn h GLY 51 CO 0.13 0.39 0.00 -1.06 0.00 0.00 0.00 176.54 176.00 1thn n GLN 52 N -4.55 3.00 -2.67 4.80 1.13 -1.24 -4.95 117.38 112.90 1thn n GLN 52 Ca 0.08 -2.15 -0.41 0.00 -1.94 0.00 0.00 57.00 52.58 1thn n GLN 52 Cb 0.02 -1.72 -0.05 0.00 0.11 0.00 0.00 30.24 28.60 1thn n GLN 52 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1thn s LEU 53 N -1.47 4.54 -0.18 1.08 2.96 -1.16 -2.15 118.68 122.30 1thn s LEU 53 Ca 0.39 1.93 0.18 0.00 -0.22 0.00 0.00 54.13 56.41 1thn s LEU 53 Cb 0.24 -3.60 -0.25 0.00 0.50 0.00 0.00 46.19 43.08 1thn s LEU 53 CO 0.19 -0.04 0.12 0.35 -1.32 0.00 0.00 176.35 175.65 1thn n THR 54 N 2.25 1.34 -3.63 3.68 -2.24 0.66 -4.83 114.28 111.51 1thn n THR 54 Ca 0.01 -0.84 -0.13 0.00 -2.27 0.00 0.00 64.05 60.82 1thn n THR 54 Cb 0.48 -0.47 -0.06 0.00 -2.10 0.00 0.00 70.33 68.18 1thn n THR 54 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1thn s PHE 55 N -2.54 -0.32 -0.26 4.78 5.36 -1.16 -4.99 117.98 118.84 1thn s PHE 55 Ca -0.10 0.30 -0.22 0.00 -0.96 0.00 0.00 56.93 55.95 1thn s PHE 55 Cb 0.06 0.27 0.07 0.00 -0.34 0.00 0.00 43.02 43.08 1thn s PHE 55 CO 0.83 -0.61 0.68 1.41 -1.46 0.00 0.00 175.22 176.07 1thn s MET 56 N -2.54 0.78 0.00 10.12 -2.45 -1.26 -0.31 119.30 123.64 1thn s MET 56 Ca -0.05 0.98 0.00 0.00 -1.25 0.00 0.00 55.69 55.38 1thn s MET 56 Cb -0.01 0.35 0.00 0.00 1.25 0.00 0.00 34.83 36.42 1thn s MET 56 CO -0.03 -0.10 0.00 -0.40 1.05 0.00 0.00 175.02 175.54 1thn n ASP 57 N 2.96 0.08 0.10 1.11 5.68 -1.16 -4.98 116.55 120.33 1thn n ASP 57 Ca -0.15 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.09 1thn n ASP 57 Cb 0.56 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.59 1thn n ASP 57 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1thn h SER 58 N 0.00 0.11 -0.53 -1.12 4.64 -2.01 -3.13 113.55 111.51 1thn h SER 58 Ca 0.00 -0.08 0.14 0.00 -0.47 0.00 0.00 61.79 61.38 1thn h SER 58 Cb 0.00 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 1thn h SER 58 CO 0.00 0.84 0.37 0.28 -0.87 0.00 0.00 176.83 177.45 1thn h SER 59 N 0.05 0.09 -0.31 4.97 0.02 -1.93 -0.05 113.55 116.39 1thn h SER 59 Ca -0.02 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.83 1thn h SER 59 Cb 1.36 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 1thn h SER 59 CO 0.11 0.05 -0.20 1.23 -1.14 0.00 0.00 176.83 176.87 1thn h GLY 60 N 0.10 0.75 1.25 -3.77 0.00 -1.73 -0.28 103.07 99.39 1thn h GLY 60 Ca 0.25 -0.71 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1thn h GLY 60 CO -0.02 0.64 0.21 1.41 0.00 0.00 0.00 176.54 178.78 1thn h LEU 61 N 0.44 0.87 -0.33 3.11 3.38 -1.19 -2.33 115.31 119.27 1thn h LEU 61 Ca 0.06 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1thn h LEU 61 Cb 0.75 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1thn h LEU 61 CO 0.06 0.81 -0.13 1.23 0.09 0.00 0.00 178.44 180.50 1thn h GLY 62 N 1.02 0.72 1.72 0.83 0.00 -0.83 -1.04 103.07 105.50 1thn h GLY 62 Ca 0.21 -0.63 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 1thn h GLY 62 CO -0.01 0.57 -0.42 -0.24 0.00 0.00 0.00 176.54 176.44 1thn h VAL 63 N 0.44 1.31 -0.13 4.60 3.04 -0.96 -1.63 116.25 122.92 1thn h VAL 63 Ca 0.08 -1.56 -0.23 0.00 -1.01 0.00 0.00 66.70 63.97 1thn h VAL 63 Cb 0.65 1.68 0.01 0.00 -2.01 0.00 0.00 31.29 31.62 1thn h VAL 63 CO 0.04 0.47 -0.82 0.40 -1.01 0.00 0.00 177.57 176.65 1thn h ILE 64 N 0.26 1.28 -0.02 3.17 2.04 -1.39 -2.44 117.51 120.40 1thn h ILE 64 Ca 0.02 -2.02 -0.07 0.00 1.00 0.00 0.00 64.86 63.79 1thn h ILE 64 Cb 0.85 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 1thn h ILE 64 CO 0.07 0.64 -0.33 0.25 0.00 0.00 0.00 178.15 178.78 1thn h LEU 65 N 0.52 0.04 -1.15 1.44 5.85 -1.07 -1.24 115.31 119.70 1thn h LEU 65 Ca -0.07 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 1thn h LEU 65 Cb 1.46 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 1thn h LEU 65 CO 0.17 0.37 -0.26 1.23 -0.34 0.00 0.00 178.44 179.61 1thn h GLY 66 N 1.02 0.29 2.00 3.75 0.00 -1.11 -2.67 103.07 106.34 1thn h GLY 66 Ca 0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 47.33 47.00 1thn h GLY 66 CO 0.04 0.20 -0.55 3.21 0.00 0.00 0.00 176.54 179.45 1thn h ARG 67 N 0.24 0.00 -0.44 4.80 2.47 -0.75 -3.25 114.38 117.44 1thn h ARG 67 Ca 0.04 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.64 1thn h ARG 67 Cb 0.60 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.91 1thn h ARG 67 CO 0.04 0.55 -0.19 -0.92 0.56 0.00 0.00 179.97 180.02 1thn h TYR 68 N 0.00 1.04 0.18 3.04 3.20 -1.08 -2.25 116.97 121.10 1thn h TYR 68 Ca -0.01 -0.25 0.01 0.00 3.14 0.00 0.00 58.73 61.62 1thn h TYR 68 Cb 1.26 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 39.24 1thn h TYR 68 CO 0.00 1.04 -0.53 0.87 -1.64 0.00 0.00 178.16 177.90 1thn h LYS 69 N 0.74 -0.77 -0.48 1.82 1.57 -1.56 1.89 116.57 119.78 1thn h LYS 69 Ca 0.10 0.05 0.14 0.00 -1.87 0.00 0.00 60.65 59.07 1thn h LYS 69 Cb 0.75 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 1thn h LYS 69 CO 0.06 -0.51 0.35 1.96 -0.57 0.00 0.00 179.45 180.74 1thn h GLN 70 N -0.80 0.00 0.09 3.15 1.08 -1.63 0.06 115.11 117.07 1thn h GLN 70 Ca -0.01 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.93 1thn h GLN 70 Cb 0.78 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.21 1thn h GLN 70 CO -0.26 0.00 -1.17 0.82 -0.95 0.00 0.00 178.83 177.28 1thn h ILE 71 N 0.00 1.54 -0.82 2.54 1.08 -0.15 -3.24 117.51 118.47 1thn h ILE 71 Ca 0.23 -3.11 -0.02 0.00 -0.39 0.00 0.00 64.86 61.57 1thn h ILE 71 Cb 0.92 2.89 -0.04 0.00 -3.07 0.00 0.00 36.82 37.53 1thn h ILE 71 CO -0.00 0.90 0.43 0.50 -0.69 0.00 0.00 178.15 179.29 1thn h LYS 72 N 0.06 1.15 -0.26 2.37 3.64 0.48 -1.80 116.57 122.21 1thn h LYS 72 Ca -0.10 -0.14 0.06 0.00 -1.27 0.00 0.00 60.65 59.20 1thn h LYS 72 Cb 1.90 -0.22 -0.08 0.00 -0.41 0.00 0.00 32.23 33.42 1thn h LYS 72 CO 0.18 0.85 -0.32 -0.91 -2.27 0.00 0.00 179.45 176.99 1thn h ASN 73 N 1.15 -1.04 0.00 4.20 4.21 -1.45 -1.49 115.58 121.17 1thn h ASN 73 Ca 0.29 0.17 0.00 0.00 1.21 0.00 0.00 56.30 57.96 1thn h ASN 73 Cb 0.05 0.46 0.00 0.00 -1.12 0.00 0.00 38.32 37.72 1thn h ASN 73 CO -0.04 -0.34 0.00 1.33 -1.29 0.00 0.00 177.43 177.09 1thn n VAL 74 N -5.41 0.00 -3.27 2.81 0.24 -1.14 -4.89 118.33 106.67 1thn n VAL 74 Ca -0.01 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.14 1thn n VAL 74 Cb 0.33 -0.04 0.08 0.00 -1.47 0.00 0.00 33.84 32.74 1thn n VAL 74 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1thn n GLY 75 N 0.50 -0.27 3.70 7.63 0.00 -0.56 -4.93 105.19 111.25 1thn n GLY 75 Ca 0.01 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1thn n GLY 75 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1thn s GLY 76 N -4.18 2.77 0.01 -0.02 0.00 -0.69 -4.99 107.32 100.22 1thn s GLY 76 Ca 0.01 -1.32 0.01 0.00 0.00 0.00 0.00 44.72 43.43 1thn s GLY 76 CO 0.65 -2.15 0.03 1.20 0.00 0.00 0.00 173.10 172.83 1thn s GLN 77 N -3.80 2.86 -0.32 2.90 -0.21 -1.25 -4.57 119.66 115.27 1thn s GLN 77 Ca 0.20 -0.60 -0.05 0.00 0.02 0.00 0.00 55.36 54.93 1thn s GLN 77 Cb 0.06 -2.72 0.04 0.00 1.00 0.00 0.00 33.01 31.38 1thn s GLN 77 CO 0.10 0.62 0.06 1.41 -2.12 0.00 0.00 175.29 175.37 1thn s MET 78 N -1.74 2.63 -0.22 2.91 -2.45 -1.26 -1.28 119.30 117.89 1thn s MET 78 Ca 0.22 -1.16 -0.01 0.00 -1.25 0.00 0.00 55.69 53.49 1thn s MET 78 Cb -0.12 -3.35 0.02 0.00 1.25 0.00 0.00 34.83 32.63 1thn s MET 78 CO 0.13 -0.62 -0.10 0.08 1.05 0.00 0.00 175.02 175.56 1thn s VAL 79 N 1.37 2.73 -0.26 10.11 1.01 -0.14 -2.91 120.40 132.31 1thn s VAL 79 Ca -0.02 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.00 1thn s VAL 79 Cb -0.19 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1thn s VAL 79 CO 0.01 0.37 0.14 -0.69 0.00 0.00 0.00 175.10 174.93 1thn s VAL 80 N 1.35 4.97 0.27 2.92 1.01 -0.52 0.72 120.40 131.12 1thn s VAL 80 Ca 0.03 0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.15 1thn s VAL 80 Cb -0.15 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 1thn s VAL 80 CO -0.07 0.30 -0.12 0.00 0.00 0.00 0.00 175.10 175.21 1thn n ALA 82 N -0.57 -1.62 -2.71 0.00 0.00 -1.04 -0.94 120.51 113.64 1thn n ALA 82 Ca -0.06 0.08 -0.41 0.00 0.00 0.00 0.00 53.44 53.06 1thn n ALA 82 Cb 0.62 -3.15 -0.04 0.00 0.00 0.00 0.00 19.45 16.87 1thn n ALA 82 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1thn s VAL 83 N -3.31 4.97 0.12 0.00 1.01 -1.26 -2.06 120.40 119.86 1thn s VAL 83 Ca 0.17 1.65 -0.24 0.00 0.00 0.00 0.00 61.98 63.57 1thn s VAL 83 Cb -0.08 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.10 1thn s VAL 83 CO 0.66 0.19 0.72 -0.94 0.00 0.00 0.00 175.10 175.73 1thn s SER 84 N 0.91 7.27 0.06 3.32 1.04 -1.26 -4.82 113.70 120.22 1thn s SER 84 Ca 0.42 1.50 -0.12 0.00 0.48 0.00 0.00 55.95 58.22 1thn s SER 84 Cb -0.18 -2.45 -0.03 0.00 0.10 0.00 0.00 66.02 63.45 1thn s SER 84 CO 0.20 0.19 0.88 -2.65 0.98 0.00 0.00 173.24 172.84 1thn n PRO 85 N 1.87 -0.18 -0.41 4.02 -0.02 -1.26 0.27 135.00 139.29 1thn n PRO 85 Ca -0.06 0.87 0.34 0.00 -2.02 0.00 0.00 63.50 62.62 1thn n PRO 85 Cb 0.49 -1.29 0.62 0.00 -0.02 0.00 0.00 33.50 33.31 1thn n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1thn h ALA 86 N -0.06 2.64 0.04 3.55 0.00 -1.98 1.21 119.26 124.66 1thn h ALA 86 Ca 0.06 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1thn h ALA 86 Cb 0.17 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1thn h ALA 86 CO -0.38 -1.21 -0.02 0.28 0.00 0.00 0.00 179.25 177.93 1thn h VAL 87 N 0.16 1.31 -1.09 0.00 2.07 -0.57 -3.06 116.25 115.07 1thn h VAL 87 Ca 0.76 -1.69 0.30 0.00 0.82 0.00 0.00 66.70 66.89 1thn h VAL 87 Cb 2.32 2.35 -0.07 0.00 -1.52 0.00 0.00 31.29 34.37 1thn h VAL 87 CO -0.37 0.40 0.75 0.50 0.02 0.00 0.00 177.57 178.86 1thn h LYS 88 N -0.87 0.16 -0.09 1.57 3.11 0.13 0.91 116.57 121.50 1thn h LYS 88 Ca -0.01 -0.01 -0.06 0.00 -2.81 0.00 0.00 60.65 57.76 1thn h LYS 88 Cb 0.69 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.87 1thn h LYS 88 CO 0.01 0.11 -0.24 -0.09 -2.81 0.00 0.00 179.45 176.42 1thn h ARG 89 N 0.17 0.15 0.01 1.90 2.43 0.13 0.69 114.38 119.85 1thn h ARG 89 Ca 0.57 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.69 1thn h ARG 89 Cb 1.88 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.42 1thn h ARG 89 CO -0.14 0.39 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.64 1thn h LEU 90 N 0.13 -0.01 -0.99 3.80 3.38 0.89 -2.42 115.31 120.11 1thn h LEU 90 Ca 0.02 -0.83 0.17 0.00 0.09 0.00 0.00 57.88 57.33 1thn h LEU 90 Cb 0.51 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.16 1thn h LEU 90 CO 0.04 0.85 0.59 -0.26 0.09 0.00 0.00 178.44 179.75 1thn h PHE 91 N -0.88 1.05 0.00 1.13 0.05 -1.14 0.14 116.94 117.30 1thn h PHE 91 Ca -0.00 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.82 1thn h PHE 91 Cb 0.84 -0.32 0.00 0.00 2.00 0.00 0.00 35.95 38.47 1thn h PHE 91 CO 0.22 0.27 0.00 -0.25 -0.18 0.00 0.00 178.31 178.37 1thn n ASP 92 N -4.75 0.55 -0.06 2.17 9.92 0.22 -1.89 116.55 122.70 1thn n ASP 92 Ca 0.22 0.60 -0.03 0.00 -0.53 0.00 0.00 54.79 55.04 1thn n ASP 92 Cb 0.51 -0.73 -0.13 0.00 -0.64 0.00 0.00 41.12 40.14 1thn n ASP 92 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 1thn n MET 93 N -2.06 1.16 0.00 -1.24 1.56 0.34 -4.46 117.12 112.42 1thn n MET 93 Ca 0.04 -0.05 0.12 0.00 -0.27 0.00 0.00 57.70 57.54 1thn n MET 93 Cb 0.29 -1.41 0.10 0.00 2.15 0.00 0.00 33.22 34.35 1thn n MET 93 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1thn n SER 94 N -2.46 2.09 -2.57 6.12 3.41 -0.30 -4.95 113.62 114.96 1thn n SER 94 Ca -0.20 -1.54 -0.19 0.00 -0.26 0.00 0.00 58.87 56.68 1thn n SER 94 Cb 0.87 0.30 0.03 0.00 -0.26 0.00 0.00 64.21 65.14 1thn n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1thn n GLY 95 N 1.38 -0.37 0.22 5.00 0.00 -0.85 -4.84 105.19 105.73 1thn n GLY 95 Ca 0.11 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.23 1thn n GLY 95 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1thn h LEU 96 N -1.05 0.00 -1.52 0.99 5.85 -1.66 -3.14 115.31 114.78 1thn h LEU 96 Ca -0.46 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.42 1thn h LEU 96 Cb 1.32 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.29 1thn h LEU 96 CO 0.50 0.19 0.54 2.19 -0.34 0.00 0.00 178.44 181.52 1thn h PHE 97 N 0.00 0.55 -0.05 1.25 -5.15 -1.76 0.34 116.94 112.12 1thn h PHE 97 Ca -0.00 0.02 0.03 0.00 -0.20 0.00 0.00 57.97 57.81 1thn h PHE 97 Cb 0.83 -0.17 -0.04 0.00 0.22 0.00 0.00 35.95 36.79 1thn h PHE 97 CO 0.00 0.19 -0.15 0.87 -2.00 0.00 0.00 178.31 177.22 1thn h LYS 98 N 0.45 -0.22 0.00 6.09 1.57 -1.90 -2.68 116.57 119.89 1thn h LYS 98 Ca 0.41 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1thn h LYS 98 Cb 0.92 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1thn h LYS 98 CO -0.15 -0.15 -0.45 0.82 -0.57 0.00 0.00 179.45 178.95 1thn h ILE 99 N -0.23 0.00 -3.48 1.86 2.04 -1.52 -3.46 117.51 112.73 1thn h ILE 99 Ca 0.07 -0.91 -0.68 0.00 1.00 0.00 0.00 64.86 64.34 1thn h ILE 99 Cb 0.32 1.67 -0.33 0.00 -0.74 0.00 0.00 36.82 37.74 1thn h ILE 99 CO -0.18 0.00 -0.88 -0.51 0.00 0.00 0.00 178.15 176.58 1thn s ILE 100 N -3.26 2.07 -0.03 -0.67 2.07 0.11 -4.79 121.20 116.69 1thn s ILE 100 Ca 0.04 -1.03 -0.12 0.00 -1.41 0.00 0.00 60.65 58.13 1thn s ILE 100 Cb 0.08 -1.77 -0.05 0.00 0.13 0.00 0.00 42.46 40.84 1thn s ILE 100 CO 0.72 0.56 0.33 -0.60 -1.91 0.00 0.00 174.94 174.04 1thn s ARG 101 N 0.23 3.78 0.08 3.50 3.52 -1.15 -4.36 118.95 124.56 1thn s ARG 101 Ca -0.16 0.25 0.07 0.00 -0.13 0.00 0.00 55.73 55.76 1thn s ARG 101 Cb -0.17 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 1thn s ARG 101 CO 0.08 0.71 -0.12 0.08 -0.81 0.00 0.00 175.30 175.24 1thn s VAL 102 N -1.08 3.23 0.06 7.11 1.01 -1.26 -1.44 120.40 128.03 1thn s VAL 102 Ca 0.22 -1.22 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1thn s VAL 102 Cb -0.15 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1thn s VAL 102 CO 0.11 0.19 -0.06 -1.61 0.00 0.00 0.00 175.10 173.72 1thn s GLU 103 N -1.96 0.60 0.04 2.72 0.41 -1.09 -4.98 118.70 114.44 1thn s GLU 103 Ca 0.19 -0.95 -0.12 0.00 -0.41 0.00 0.00 54.97 53.68 1thn s GLU 103 Cb -0.11 -0.18 -0.05 0.00 -1.78 0.00 0.00 34.13 32.01 1thn s GLU 103 CO 0.11 0.01 1.20 0.00 -0.49 0.00 0.00 175.26 176.08 1thn h ALA 104 N 3.95 -0.66 -4.61 5.21 0.00 -1.94 -3.05 119.26 118.15 1thn h ALA 104 Ca -0.35 -0.03 -0.42 0.00 0.00 0.00 0.00 54.91 54.11 1thn h ALA 104 Cb 1.19 0.66 -0.08 0.00 0.00 0.00 0.00 17.79 19.56 1thn h ALA 104 CO 0.50 -0.72 -0.32 -0.40 0.00 0.00 0.00 179.25 178.31 1thn n ASP 105 N -3.55 2.10 -0.19 0.00 5.68 -1.26 -2.49 116.55 116.85 1thn n ASP 105 Ca -0.03 -2.50 -0.09 0.00 -0.50 0.00 0.00 54.79 51.67 1thn n ASP 105 Cb 0.14 0.46 0.01 0.00 -1.14 0.00 0.00 41.12 40.59 1thn n ASP 105 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1thn h GLU 106 N 0.00 0.93 0.00 0.11 4.81 -1.90 -3.05 114.58 115.47 1thn h GLU 106 Ca -0.25 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 58.66 1thn h GLU 106 Cb 0.85 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 1thn h GLU 106 CO 0.41 0.93 -0.16 1.96 -0.73 0.00 0.00 179.01 181.43 1thn h GLN 107 N 0.80 0.00 0.00 1.92 1.08 -1.99 -1.16 115.11 115.76 1thn h GLN 107 Ca 0.15 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.29 1thn h GLN 107 Cb 0.50 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1thn h GLN 107 CO 0.02 0.16 -0.28 0.74 -0.95 0.00 0.00 178.83 178.52 1thn h PHE 108 N 0.00 0.00 -0.13 2.96 -1.00 -1.94 -2.57 116.94 114.26 1thn h PHE 108 Ca -0.00 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.70 1thn h PHE 108 Cb 0.32 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.88 1thn h PHE 108 CO 0.00 0.28 -0.23 0.00 -1.61 0.00 0.00 178.31 176.75 1thn h ALA 109 N 1.72 0.20 0.00 2.45 0.00 -1.17 -2.51 119.26 119.94 1thn h ALA 109 Ca -0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1thn h ALA 109 Cb 1.09 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1thn h ALA 109 CO 0.04 0.17 -0.18 -0.07 0.00 0.00 0.00 179.25 179.20 1thn h LEU 110 N -0.03 0.00 -0.50 0.00 3.38 -1.36 -1.44 115.31 115.36 1thn h LEU 110 Ca 0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.81 1thn h LEU 110 Cb 0.82 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1thn h LEU 110 CO 0.05 0.18 -0.72 -0.61 0.09 0.00 0.00 178.44 177.43 1thn h GLN 111 N 0.00 0.20 -0.07 1.13 4.15 -1.34 0.13 115.11 119.31 1thn h GLN 111 Ca -0.00 -0.17 -0.15 0.00 0.77 0.00 0.00 58.65 59.10 1thn h GLN 111 Cb 0.44 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 1thn h GLN 111 CO 0.02 0.84 -0.61 0.00 -1.93 0.00 0.00 178.83 177.15 1thn h ALA 112 N 1.11 0.82 -0.99 3.38 0.00 -0.86 -3.29 119.26 119.43 1thn h ALA 112 Ca -0.02 -0.55 -0.67 0.00 0.00 0.00 0.00 54.91 53.67 1thn h ALA 112 Cb 1.28 -0.08 -0.29 0.00 0.00 0.00 0.00 17.79 18.69 1thn h ALA 112 CO 0.11 0.73 0.84 1.28 0.00 0.00 0.00 179.25 182.21 1thn n LEU 113 N -3.87 7.60 -2.24 0.00 4.77 -0.63 -4.92 117.00 117.72 1thn n LEU 113 Ca -0.02 -4.25 -0.14 0.00 -0.03 0.00 0.00 56.01 51.56 1thn n LEU 113 Cb 0.63 -0.96 0.04 0.00 -2.33 0.00 0.00 43.42 40.80 1thn n LEU 113 CO 0.45 1.45 0.12 0.61 -1.33 0.00 0.00 177.39 178.69 1thn n GLY 114 N -0.93 0.06 0.00 -0.72 0.00 -1.20 -4.97 105.19 97.42 1thn n GLY 114 Ca 0.62 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1thn n GLY 114 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65