#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c2n s ASP 2 N 0.00 6.26 0.48 1.61 -1.08 -1.26 -4.76 116.67 117.92 1c2n s ASP 2 Ca 0.00 -0.60 0.30 0.00 -0.52 0.00 0.00 52.55 51.73 1c2n s ASP 2 Cb 0.00 -2.44 1.39 0.00 -1.46 0.00 0.00 42.92 40.41 1c2n s ASP 2 CO 0.00 -1.35 1.75 0.00 0.52 0.00 0.00 175.17 176.09 1c2n h ALA 3 N 9.46 2.80 -0.12 3.66 0.00 -1.87 0.17 119.26 133.37 1c2n h ALA 3 Ca -0.27 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1c2n h ALA 3 Cb 1.07 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1c2n h ALA 3 CO 1.14 -1.23 0.00 0.00 0.00 0.00 0.00 179.25 179.16 1c2n h ALA 4 N 1.48 0.15 -0.76 0.00 0.00 -1.91 0.14 119.26 118.37 1c2n h ALA 4 Ca 0.64 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.34 1c2n h ALA 4 Cb 2.15 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.87 1c2n h ALA 4 CO -0.17 -0.16 0.37 0.87 0.00 0.00 0.00 179.25 180.16 1c2n h LYS 5 N -0.06 1.09 -0.13 0.00 1.57 -1.13 -1.46 116.57 116.45 1c2n h LYS 5 Ca 0.03 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1c2n h LYS 5 Cb 0.35 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1c2n h LYS 5 CO 0.01 0.83 -0.01 0.78 -0.57 0.00 0.00 179.45 180.49 1c2n h GLY 6 N 1.12 0.11 0.46 3.86 0.00 -0.66 0.18 103.07 108.13 1c2n h GLY 6 Ca 0.26 0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.65 1c2n h GLY 6 CO -0.03 -0.03 -0.22 -2.09 0.00 0.00 0.00 176.54 174.16 1c2n h GLU 7 N 0.02 -0.33 -0.19 4.80 4.22 -0.29 0.11 114.58 122.93 1c2n h GLU 7 Ca 0.06 0.02 0.02 0.00 0.08 0.00 0.00 59.36 59.54 1c2n h GLU 7 Cb 0.08 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1c2n h GLU 7 CO -0.11 -0.22 0.04 0.87 -2.18 0.00 0.00 179.01 177.41 1c2n h LYS 8 N -0.34 0.11 -0.27 1.92 1.57 -0.98 -1.69 116.57 116.90 1c2n h LYS 8 Ca 0.07 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 1c2n h LYS 8 Cb 0.43 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1c2n h LYS 8 CO -0.22 0.07 0.19 1.49 -0.57 0.00 0.00 179.45 180.41 1c2n h GLU 9 N 0.12 0.14 0.00 3.15 4.57 -0.25 0.18 114.58 122.48 1c2n h GLU 9 Ca 0.08 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1c2n h GLU 9 Cb 0.07 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1c2n h GLU 9 CO -0.11 0.09 0.11 0.35 -1.18 0.00 0.00 179.01 178.28 1c2n h PHE 10 N 0.14 0.00 -0.72 0.92 3.57 0.21 0.42 116.94 121.48 1c2n h PHE 10 Ca 0.12 0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.83 1c2n h PHE 10 Cb 0.30 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1c2n h PHE 10 CO -0.00 0.00 0.55 -0.97 -2.23 0.00 0.00 178.31 175.66 1c2n h ASN 11 N 0.00 0.00 0.07 0.41 -0.73 -1.02 0.53 115.58 114.84 1c2n h ASN 11 Ca 0.00 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.17 1c2n h ASN 11 Cb 0.23 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.82 1c2n h ASN 11 CO 0.00 0.00 -0.03 0.11 -0.37 0.00 0.00 177.43 177.14 1c2n h LYS 12 N 0.00 -0.09 -0.84 6.67 1.79 -1.13 -3.38 116.57 119.59 1c2n h LYS 12 Ca 0.34 0.01 0.19 0.00 -2.18 0.00 0.00 60.65 59.01 1c2n h LYS 12 Cb 1.43 0.02 -0.12 0.00 -1.58 0.00 0.00 32.23 31.99 1c2n h LYS 12 CO -0.00 0.31 0.32 0.00 -1.08 0.00 0.00 179.45 178.99 1c2n h LYS 14 N 0.37 0.00 -0.15 0.00 5.09 -1.12 0.72 116.57 121.48 1c2n h LYS 14 Ca 0.50 0.00 0.04 0.00 0.09 0.00 0.00 60.65 61.29 1c2n h LYS 14 Cb 0.91 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.23 1c2n h LYS 14 CO -0.51 0.00 0.17 1.15 -2.09 0.00 0.00 179.45 178.16 1c2n h THR 15 N 0.00 0.50 0.00 0.07 2.02 -1.24 0.53 112.91 114.80 1c2n h THR 15 Ca 0.18 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.36 1c2n h THR 15 Cb 1.08 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1c2n h THR 15 CO -0.00 0.00 -0.95 0.00 0.37 0.00 0.00 175.52 174.94 1c2n n HIS 17 N -2.72 -3.12 -3.93 0.00 8.25 0.08 -0.26 115.22 113.52 1c2n n HIS 17 Ca 0.00 -1.22 -0.09 0.00 -0.26 0.00 0.00 57.72 56.15 1c2n n HIS 17 Cb 0.47 -0.53 -0.05 0.00 1.12 0.00 0.00 29.99 31.01 1c2n n HIS 17 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1c2n s SER 18 N -3.90 -0.10 -0.09 0.41 0.01 -1.22 -2.40 113.70 106.42 1c2n s SER 18 Ca 0.47 -0.82 -0.02 0.00 1.31 0.00 0.00 55.95 56.89 1c2n s SER 18 Cb -0.03 0.55 0.04 0.00 0.21 0.00 0.00 66.02 66.79 1c2n s SER 18 CO 0.31 -1.07 0.02 -0.63 0.41 0.00 0.00 173.24 172.29 1c2n s ILE 19 N -3.97 0.30 -0.15 1.44 -1.09 -0.42 -1.37 121.20 115.94 1c2n s ILE 19 Ca 0.18 0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 1c2n s ILE 19 Cb 0.00 -0.56 -0.01 0.00 -1.58 0.00 0.00 42.46 40.31 1c2n s ILE 19 CO 0.04 0.14 -0.15 -0.51 -1.23 0.00 0.00 174.94 173.23 1c2n s ILE 20 N 1.99 2.77 0.94 2.92 1.10 -1.26 -0.96 121.20 128.70 1c2n s ILE 20 Ca 0.04 -0.74 -0.11 0.00 -0.51 0.00 0.00 60.65 59.32 1c2n s ILE 20 Cb -0.13 -2.16 0.16 0.00 0.15 0.00 0.00 42.46 40.47 1c2n s ILE 20 CO -0.06 0.52 1.09 0.00 -2.11 0.00 0.00 174.94 174.38 1c2n s ALA 21 N 0.66 1.20 0.35 1.50 0.00 0.42 -4.82 121.76 121.07 1c2n s ALA 21 Ca -0.08 0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.08 1c2n s ALA 21 Cb -0.16 -3.28 0.73 0.00 0.00 0.00 0.00 23.12 20.41 1c2n s ALA 21 CO 0.02 -2.70 1.93 -1.35 0.00 0.00 0.00 175.76 173.66 1c2n h PRO 22 N -1.81 0.76 0.00 0.00 0.11 -1.92 0.81 132.00 129.95 1c2n h PRO 22 Ca -0.50 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1c2n h PRO 22 Cb 1.28 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1c2n h PRO 22 CO 0.50 0.50 0.00 -0.25 -0.21 0.00 0.00 178.00 178.54 1c2n n ASP 23 N -4.50 0.00 0.00 -2.05 9.92 -1.26 -4.83 116.55 113.83 1c2n n ASP 23 Ca 0.13 -0.95 0.00 0.00 -0.53 0.00 0.00 54.79 53.44 1c2n n ASP 23 Cb 0.29 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.77 1c2n n ASP 23 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1c2n n GLY 24 N 0.33 0.90 3.62 0.44 0.00 0.28 -4.98 105.19 105.77 1c2n n GLY 24 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1c2n n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c2n s THR 25 N -3.56 3.80 -0.46 2.61 2.01 -1.25 -4.72 115.64 114.06 1c2n s THR 25 Ca 0.00 0.89 -0.27 0.00 0.31 0.00 0.00 61.69 62.62 1c2n s THR 25 Cb 0.00 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 1c2n s THR 25 CO 0.00 -0.39 2.00 -1.61 -0.69 0.00 0.00 174.62 173.93 1c2n s GLU 26 N 4.66 2.77 -0.05 4.92 2.02 -1.26 -0.44 118.70 131.32 1c2n s GLU 26 Ca 0.68 1.18 -0.24 0.00 0.02 0.00 0.00 54.97 56.60 1c2n s GLU 26 Cb -0.22 -4.37 -0.24 0.00 0.10 0.00 0.00 34.13 29.40 1c2n s GLU 26 CO 0.28 -2.53 1.01 0.82 0.02 0.00 0.00 175.26 174.87 1c2n h ILE 27 N 7.07 1.55 -3.29 -1.63 1.08 -1.40 -3.40 117.51 117.49 1c2n h ILE 27 Ca -0.29 -2.00 -0.62 0.00 -0.39 0.00 0.00 64.86 61.56 1c2n h ILE 27 Cb 1.20 2.81 -0.40 0.00 -3.07 0.00 0.00 36.82 37.36 1c2n h ILE 27 CO 1.12 0.55 -0.73 -0.69 -0.69 0.00 0.00 178.15 177.71 1c2n s VAL 28 N -3.05 1.55 -1.23 1.67 1.01 -0.18 -4.96 120.40 115.21 1c2n s VAL 28 Ca -0.16 -2.11 -0.08 0.00 0.00 0.00 0.00 61.98 59.63 1c2n s VAL 28 Cb 0.01 -2.13 -0.10 0.00 0.00 0.00 0.00 36.38 34.16 1c2n s VAL 28 CO 0.75 -0.72 2.78 2.29 0.00 0.00 0.00 175.10 180.20 1c2n n LYS 29 N 4.22 3.02 0.00 2.72 2.85 -1.26 -1.30 118.16 128.41 1c2n n LYS 29 Ca 0.03 -1.83 0.00 0.00 -1.05 0.00 0.00 58.31 55.46 1c2n n LYS 29 Cb 0.39 -2.59 0.00 0.00 -0.65 0.00 0.00 35.03 32.18 1c2n n LYS 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1c2n n GLY 30 N 3.49 -0.14 3.93 2.58 0.00 -1.26 -5.07 105.19 108.72 1c2n n GLY 30 Ca 0.64 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 1c2n n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c2n s ALA 31 N -3.67 2.49 -0.17 4.61 0.00 0.18 -4.83 121.76 120.37 1c2n s ALA 31 Ca 0.00 -1.12 0.14 0.00 0.00 0.00 0.00 51.96 50.98 1c2n s ALA 31 Cb 0.00 -2.74 0.42 0.00 0.00 0.00 0.00 23.12 20.81 1c2n s ALA 31 CO 0.00 -2.14 1.21 1.63 0.00 0.00 0.00 175.76 176.45 1c2n n LYS 32 N -3.55 1.32 -0.12 0.00 4.01 -1.11 -3.38 118.16 115.32 1c2n n LYS 32 Ca 0.13 -3.06 -0.09 0.00 -0.51 0.00 0.00 58.31 54.79 1c2n n LYS 32 Cb 0.60 -1.29 0.06 0.00 -0.51 0.00 0.00 35.03 33.89 1c2n n LYS 32 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 1c2n h THR 33 N 2.40 1.27 -1.37 -0.18 2.02 -0.94 -3.44 112.91 112.68 1c2n h THR 33 Ca -0.04 -1.34 -0.54 0.00 0.77 0.00 0.00 66.41 65.26 1c2n h THR 33 Cb 1.22 1.16 -0.06 0.00 -1.74 0.00 0.00 68.15 68.73 1c2n h THR 33 CO 0.05 0.46 -0.42 -0.83 0.37 0.00 0.00 175.52 175.15 1c2n s GLY 34 N -3.80 2.28 1.26 2.16 0.00 0.28 -4.98 107.32 104.52 1c2n s GLY 34 Ca -0.10 -1.86 -0.18 0.00 0.00 0.00 0.00 44.72 42.58 1c2n s GLY 34 CO 0.85 -1.84 1.01 2.56 0.00 0.00 0.00 173.10 175.68 1c2n s PRO 35 N -4.06 -1.67 -0.23 2.90 0.04 -1.26 -4.47 135.00 126.25 1c2n s PRO 35 Ca 0.42 0.36 -0.23 0.00 0.04 0.00 0.00 61.00 61.59 1c2n s PRO 35 Cb 0.00 -1.51 -0.01 0.00 0.04 0.00 0.00 34.50 33.02 1c2n s PRO 35 CO 0.24 -4.10 0.73 1.21 0.04 0.00 0.00 177.00 175.12 1c2n s ASN 36 N -3.10 6.74 0.00 6.66 3.84 -1.26 -3.67 114.94 124.15 1c2n s ASN 36 Ca 0.69 0.91 0.26 0.00 0.21 0.00 0.00 52.86 54.93 1c2n s ASN 36 Cb -0.17 -2.39 1.19 0.00 -0.55 0.00 0.00 41.25 39.33 1c2n s ASN 36 CO 0.60 -0.40 1.81 0.18 -2.79 0.00 0.00 177.10 176.50 1c2n n LEU 37 N 5.61 1.03 -4.54 3.21 4.77 -0.47 -4.80 117.00 121.81 1c2n n LEU 37 Ca 0.02 -0.37 -0.36 0.00 -0.03 0.00 0.00 56.01 55.26 1c2n n LEU 37 Cb 0.49 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 1c2n n LEU 37 CO 0.45 0.19 2.05 0.00 -1.33 0.00 0.00 177.39 178.75 1c2n n TYR 38 N -0.16 1.31 -1.73 -1.77 4.19 -1.26 -1.11 117.16 116.63 1c2n n TYR 38 Ca 0.19 0.15 0.00 0.00 3.31 0.00 0.00 57.90 61.55 1c2n n TYR 38 Cb 0.26 -2.60 0.00 0.00 0.49 0.00 0.00 39.34 37.49 1c2n n TYR 38 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1c2n n GLY 39 N 6.08 0.78 0.21 2.98 0.00 -1.26 -4.96 105.19 109.02 1c2n n GLY 39 Ca 0.41 -0.66 0.02 0.00 0.00 0.00 0.00 46.02 45.79 1c2n n GLY 39 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1c2n h VAL 40 N 0.00 1.21 -1.64 1.61 3.04 -1.43 -3.39 116.25 115.66 1c2n h VAL 40 Ca 0.00 -1.00 -0.64 0.00 -1.01 0.00 0.00 66.70 64.05 1c2n h VAL 40 Cb 0.80 1.45 -0.00 0.00 -2.01 0.00 0.00 31.29 31.53 1c2n h VAL 40 CO 0.00 0.30 1.31 0.52 -1.01 0.00 0.00 177.57 178.69 1c2n n VAL 41 N -4.20 0.36 0.00 1.51 0.31 -1.26 -0.31 118.33 114.75 1c2n n VAL 41 Ca -0.02 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1c2n n VAL 41 Cb 0.33 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.33 1c2n n VAL 41 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c2n n GLY 42 N 5.57 1.38 3.80 2.92 0.00 0.55 -4.99 105.19 114.42 1c2n n GLY 42 Ca 0.32 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 1c2n n GLY 42 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1c2n s ARG 43 N -0.56 4.40 0.24 1.61 6.06 0.58 -4.55 118.95 126.73 1c2n s ARG 43 Ca 0.00 1.08 -0.30 0.00 -2.50 0.00 0.00 55.73 54.01 1c2n s ARG 43 Cb 0.00 -2.82 -0.10 0.00 0.06 0.00 0.00 34.95 32.08 1c2n s ARG 43 CO 0.00 0.33 1.51 0.99 -2.50 0.00 0.00 175.30 175.63 1c2n s THR 44 N -1.59 2.49 0.41 4.11 2.01 -1.26 -0.77 115.64 121.04 1c2n s THR 44 Ca 0.47 0.40 -0.27 0.00 0.31 0.00 0.00 61.69 62.60 1c2n s THR 44 Cb -0.17 -3.26 -0.10 0.00 0.01 0.00 0.00 72.50 68.98 1c2n s THR 44 CO 0.22 0.06 1.44 0.00 -0.69 0.00 0.00 174.62 175.64 1c2n n ALA 45 N 2.60 2.08 -2.60 7.40 0.00 0.18 -2.95 120.51 127.23 1c2n n ALA 45 Ca 0.08 0.29 -0.14 0.00 0.00 0.00 0.00 53.44 53.68 1c2n n ALA 45 Cb 0.39 -2.39 0.01 0.00 0.00 0.00 0.00 19.45 17.47 1c2n n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c2n n GLY 46 N 0.55 -0.10 0.00 0.00 0.00 -1.26 -4.09 105.19 100.30 1c2n n GLY 46 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1c2n n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1c2n n THR 47 N -4.03 0.00 -1.93 2.61 -2.24 -1.15 -4.80 114.28 102.74 1c2n n THR 47 Ca -0.09 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.07 1c2n n THR 47 Cb 0.59 1.56 -0.03 0.00 -2.10 0.00 0.00 70.33 70.34 1c2n n THR 47 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1c2n s TYR 48 N -0.03 2.63 0.96 4.78 6.14 -1.26 -4.93 117.35 125.64 1c2n s TYR 48 Ca 0.00 0.42 -0.10 0.00 0.64 0.00 0.00 57.07 58.02 1c2n s TYR 48 Cb 0.00 -3.95 0.17 0.00 0.42 0.00 0.00 41.96 38.59 1c2n s TYR 48 CO 0.00 -3.73 1.11 -0.35 0.64 0.00 0.00 175.55 173.22 1c2n n PRO 49 N 5.05 -0.76 -3.50 4.97 -0.04 -1.26 -4.09 135.00 135.37 1c2n n PRO 49 Ca 0.15 -0.16 -0.20 0.00 -0.04 0.00 0.00 63.50 63.25 1c2n n PRO 49 Cb 0.40 -2.33 0.06 0.00 -0.04 0.00 0.00 33.50 31.58 1c2n n PRO 49 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1c2n n GLU 50 N -4.30 -3.69 -3.59 0.54 1.02 -1.26 -4.86 120.64 104.51 1c2n n GLU 50 Ca 0.11 0.71 -0.00 0.00 -0.02 0.00 0.00 57.16 57.95 1c2n n GLU 50 Cb 0.52 -5.32 -0.04 0.00 -0.02 0.00 0.00 31.44 26.58 1c2n n GLU 50 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1c2n s PHE 51 N -3.48 -1.17 -0.77 -0.32 5.36 -1.26 -4.95 117.98 111.38 1c2n s PHE 51 Ca 0.24 2.04 -0.26 0.00 -0.96 0.00 0.00 56.93 57.98 1c2n s PHE 51 Cb -0.05 0.70 0.03 0.00 -0.34 0.00 0.00 43.02 43.36 1c2n s PHE 51 CO 0.78 -0.58 1.35 0.21 -1.46 0.00 0.00 175.22 175.52 1c2n s LYS 52 N 2.76 3.20 0.17 10.12 2.47 -1.26 -4.97 119.74 132.23 1c2n s LYS 52 Ca -0.05 -0.31 -0.03 0.00 -1.56 0.00 0.00 55.97 54.03 1c2n s LYS 52 Cb -0.10 -4.37 0.04 0.00 -1.46 0.00 0.00 37.83 31.93 1c2n s LYS 52 CO -0.19 -2.22 0.23 0.66 0.16 0.00 0.00 175.35 173.99 1c2n n TYR 53 N 9.61 -3.94 -4.09 4.03 4.01 -1.26 -5.11 117.16 120.41 1c2n n TYR 53 Ca 0.09 -0.21 -0.24 0.00 -0.16 0.00 0.00 57.90 57.38 1c2n n TYR 53 Cb 0.49 -0.17 -0.05 0.00 -0.31 0.00 0.00 39.34 39.31 1c2n n TYR 53 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1c2n s LYS 54 N -3.45 2.96 0.40 -0.72 -0.14 -1.26 -5.02 119.74 112.51 1c2n s LYS 54 Ca 0.13 -0.95 0.07 0.00 -1.36 0.00 0.00 55.97 53.86 1c2n s LYS 54 Cb -0.00 -2.62 0.84 0.00 -1.68 0.00 0.00 37.83 34.37 1c2n s LYS 54 CO 0.09 0.44 2.04 0.22 -0.76 0.00 0.00 175.35 177.38 1c2n h ASP 55 N 1.84 0.50 0.43 2.83 3.58 -1.95 -1.50 116.42 122.16 1c2n h ASP 55 Ca -0.48 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 56.93 1c2n h ASP 55 Cb 1.22 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1c2n h ASP 55 CO 0.62 0.36 -0.21 0.77 -2.88 0.00 0.00 179.24 177.90 1c2n h SER 56 N 0.59 -0.49 -0.78 2.28 4.64 -1.85 0.76 113.55 118.70 1c2n h SER 56 Ca 0.18 0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.57 1c2n h SER 56 Cb 0.01 0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 62.18 1c2n h SER 56 CO -0.04 -0.30 0.51 -0.29 -0.87 0.00 0.00 176.83 175.84 1c2n h ILE 57 N -0.69 1.08 -0.01 0.95 2.10 -1.76 0.82 117.51 120.00 1c2n h ILE 57 Ca -0.06 -0.31 -0.00 0.00 1.08 0.00 0.00 64.86 65.57 1c2n h ILE 57 Cb 0.45 0.10 -0.00 0.00 -1.09 0.00 0.00 36.82 36.28 1c2n h ILE 57 CO 0.10 0.16 0.00 0.58 -1.08 0.00 0.00 178.15 177.92 1c2n h VAL 58 N 0.90 1.10 -0.46 2.19 2.07 -1.25 0.68 116.25 121.49 1c2n h VAL 58 Ca 0.32 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.56 1c2n h VAL 58 Cb 0.14 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1c2n h VAL 58 CO -0.10 0.08 0.27 0.00 0.02 0.00 0.00 177.57 177.83 1c2n h ALA 59 N 0.88 0.58 -0.40 1.67 0.00 -0.01 0.15 119.26 122.13 1c2n h ALA 59 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1c2n h ALA 59 Cb 0.13 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1c2n h ALA 59 CO -0.00 -0.05 0.14 1.25 0.00 0.00 0.00 179.25 180.59 1c2n h LEU 60 N 0.54 0.14 0.16 0.00 5.85 -0.66 0.55 115.31 121.88 1c2n h LEU 60 Ca 0.18 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.97 1c2n h LEU 60 Cb 0.02 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1c2n h LEU 60 CO -0.09 0.12 -0.35 1.23 -0.34 0.00 0.00 178.44 179.00 1c2n h GLY 61 N 0.30 -0.71 1.02 3.75 0.00 -0.22 -2.18 103.07 105.02 1c2n h GLY 61 Ca 0.19 0.42 0.13 0.00 0.00 0.00 0.00 47.33 48.06 1c2n h GLY 61 CO -0.19 -0.26 0.37 0.00 0.00 0.00 0.00 176.54 176.45 1c2n h ALA 62 N -0.03 2.32 0.00 3.60 0.00 -0.15 0.24 119.26 125.23 1c2n h ALA 62 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1c2n h ALA 62 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1c2n h ALA 62 CO -0.19 -0.46 0.00 0.43 0.00 0.00 0.00 179.25 179.04 1c2n n SER 63 N -4.42 0.00 0.00 0.00 7.64 0.13 -4.77 113.62 112.20 1c2n n SER 63 Ca 0.09 -0.39 0.00 0.00 1.01 0.00 0.00 58.87 59.58 1c2n n SER 63 Cb 0.51 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1c2n n SER 63 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c2n n GLY 64 N -0.10 1.61 3.50 0.23 0.00 0.74 -5.04 105.19 106.13 1c2n n GLY 64 Ca 0.10 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1c2n n GLY 64 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1c2n s PHE 65 N -2.00 2.60 -0.12 1.61 5.36 -0.62 -4.99 117.98 119.81 1c2n s PHE 65 Ca 0.00 -0.58 -0.22 0.00 -0.96 0.00 0.00 56.93 55.17 1c2n s PHE 65 Cb 0.00 -4.46 -0.03 0.00 -0.34 0.00 0.00 43.02 38.18 1c2n s PHE 65 CO 0.00 -1.81 0.67 0.00 -1.46 0.00 0.00 175.22 172.62 1c2n s ALA 66 N 4.52 3.43 -0.48 11.12 0.00 -1.26 -0.65 121.76 138.45 1c2n s ALA 66 Ca 0.32 -0.02 -0.27 0.00 0.00 0.00 0.00 51.96 51.98 1c2n s ALA 66 Cb -0.09 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.04 1c2n s ALA 66 CO 0.05 -0.28 1.93 -1.58 0.00 0.00 0.00 175.76 175.88 1c2n s TRP 67 N 1.24 1.61 0.57 0.00 0.52 0.05 -4.86 118.94 118.08 1c2n s TRP 67 Ca 0.34 0.84 -0.07 0.00 0.02 0.00 0.00 56.10 57.22 1c2n s TRP 67 Cb -0.17 -4.02 -0.02 0.00 -1.15 0.00 0.00 33.47 28.11 1c2n s TRP 67 CO 0.14 -2.64 0.92 0.95 0.02 0.00 0.00 176.95 176.34 1c2n s THR 68 N 8.72 4.29 0.34 2.01 -4.23 -1.26 -0.33 115.64 125.18 1c2n s THR 68 Ca 0.78 0.32 0.04 0.00 -1.18 0.00 0.00 61.69 61.64 1c2n s THR 68 Cb -0.18 -3.69 0.29 0.00 1.34 0.00 0.00 72.50 70.26 1c2n s THR 68 CO 0.27 -0.77 1.94 1.05 -0.54 0.00 0.00 174.62 176.58 1c2n h GLU 69 N -0.13 0.83 0.45 3.99 4.11 -1.94 0.63 114.58 122.52 1c2n h GLU 69 Ca -0.46 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 58.90 1c2n h GLU 69 Cb 1.22 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1c2n h GLU 69 CO 0.62 0.55 -0.22 0.93 0.07 0.00 0.00 179.01 180.96 1c2n h GLU 70 N 0.86 -0.58 -0.24 1.06 4.39 -1.97 0.02 114.58 118.12 1c2n h GLU 70 Ca 0.34 0.04 0.05 0.00 0.34 0.00 0.00 59.36 60.13 1c2n h GLU 70 Cb 0.22 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 28.96 1c2n h GLU 70 CO -0.12 -0.30 -0.08 -0.44 -1.16 0.00 0.00 179.01 176.91 1c2n h ASP 71 N -0.79 -0.28 0.06 1.42 3.32 -1.80 0.12 116.42 118.48 1c2n h ASP 71 Ca -0.06 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.09 1c2n h ASP 71 Cb 0.55 0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.23 1c2n h ASP 71 CO 0.10 -0.10 -0.27 0.40 -1.72 0.00 0.00 179.24 177.65 1c2n h ILE 72 N -0.03 0.40 -0.92 0.35 2.04 -0.81 0.16 117.51 118.70 1c2n h ILE 72 Ca 0.12 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.09 1c2n h ILE 72 Cb 0.21 0.40 -0.08 0.00 -0.74 0.00 0.00 36.82 36.61 1c2n h ILE 72 CO -0.26 0.00 0.56 0.00 0.00 0.00 0.00 178.15 178.44 1c2n h ALA 73 N 0.31 1.35 0.32 1.87 0.00 -0.57 -2.71 119.26 119.82 1c2n h ALA 73 Ca 0.05 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1c2n h ALA 73 Cb 0.50 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1c2n h ALA 73 CO -0.20 0.18 -0.15 1.15 0.00 0.00 0.00 179.25 180.23 1c2n h THR 74 N 0.92 0.55 -0.80 0.00 2.02 -0.30 -3.36 112.91 111.93 1c2n h THR 74 Ca 0.45 -0.75 0.15 0.00 0.77 0.00 0.00 66.41 67.03 1c2n h THR 74 Cb 0.41 0.85 -0.15 0.00 -1.74 0.00 0.00 68.15 67.52 1c2n h THR 74 CO -0.25 0.12 -0.28 0.22 0.37 0.00 0.00 175.52 175.70 1c2n h TYR 75 N -0.91 -0.70 -0.69 3.16 3.20 -0.40 0.41 116.97 121.03 1c2n h TYR 75 Ca -0.04 0.08 0.19 0.00 3.14 0.00 0.00 58.73 62.09 1c2n h TYR 75 Cb 0.52 0.43 -0.03 0.00 1.54 0.00 0.00 36.73 39.19 1c2n h TYR 75 CO 0.04 -0.37 0.49 -0.39 -1.64 0.00 0.00 178.16 176.28 1c2n h VAL 76 N -0.04 0.69 0.00 1.81 -1.51 -1.64 0.58 116.25 116.14 1c2n h VAL 76 Ca 0.34 -0.03 -0.04 0.00 -1.23 0.00 0.00 66.70 65.74 1c2n h VAL 76 Cb 0.59 0.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.34 1c2n h VAL 76 CO -0.84 0.02 -0.19 0.11 -1.23 0.00 0.00 177.57 175.44 1c2n h LYS 77 N 0.09 0.00 0.00 5.19 1.57 -0.90 0.11 116.57 122.63 1c2n h LYS 77 Ca 0.33 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.90 1c2n h LYS 77 Cb 1.20 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.37 1c2n h LYS 77 CO -0.03 0.19 -0.45 -3.47 -0.57 0.00 0.00 179.45 175.11 1c2n n ASP 78 N -3.43 -2.71 -4.73 0.86 -0.08 0.10 -4.50 116.55 102.06 1c2n n ASP 78 Ca -0.00 -3.30 -0.36 0.00 -1.51 0.00 0.00 54.79 49.62 1c2n n ASP 78 Cb 0.38 1.80 0.07 0.00 2.34 0.00 0.00 41.12 45.71 1c2n n ASP 78 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1c2n s PRO 79 N 0.59 2.49 0.00 -0.67 0.04 -0.63 -0.91 135.00 135.91 1c2n s PRO 79 Ca 0.30 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1c2n s PRO 79 Cb 0.24 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.92 1c2n s PRO 79 CO -0.20 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 175.65 1c2n n GLY 80 N 0.57 1.74 0.28 0.56 0.00 -1.26 -4.42 105.19 102.67 1c2n n GLY 80 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1c2n n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c2n h ALA 81 N 0.00 1.03 -0.05 4.61 0.00 -1.82 0.73 119.26 123.75 1c2n h ALA 81 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1c2n h ALA 81 Cb 0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 1c2n h ALA 81 CO 0.00 0.11 -0.38 0.35 0.00 0.00 0.00 179.25 179.33 1c2n h PHE 82 N 0.77 -1.06 -0.24 0.00 3.57 -1.23 0.12 116.94 118.86 1c2n h PHE 82 Ca 0.34 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.91 1c2n h PHE 82 Cb 0.23 0.47 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 1c2n h PHE 82 CO -0.07 -0.46 0.06 -0.07 -2.23 0.00 0.00 178.31 175.55 1c2n h LEU 83 N -0.50 0.05 -0.16 0.59 4.07 -1.54 -1.18 115.31 116.63 1c2n h LEU 83 Ca 0.07 0.03 0.04 0.00 0.08 0.00 0.00 57.88 58.10 1c2n h LEU 83 Cb 0.61 0.03 -0.05 0.00 1.08 0.00 0.00 40.66 42.34 1c2n h LEU 83 CO -0.33 0.06 -0.12 0.11 -1.08 0.00 0.00 178.44 177.08 1c2n h LYS 84 N 0.16 -0.12 -0.14 1.13 1.57 -0.41 0.23 116.57 118.99 1c2n h LYS 84 Ca 0.11 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1c2n h LYS 84 Cb 0.09 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 1c2n h LYS 84 CO -0.13 -0.08 -0.15 1.49 -0.57 0.00 0.00 179.45 180.01 1c2n h GLU 85 N -0.13 -0.18 -0.01 3.15 4.81 -0.48 0.26 114.58 122.01 1c2n h GLU 85 Ca 0.10 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1c2n h GLU 85 Cb 0.28 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1c2n h GLU 85 CO -0.24 -0.12 -0.02 0.87 -0.73 0.00 0.00 179.01 178.76 1c2n h LYS 86 N -0.19 0.03 0.00 1.92 1.57 -0.98 -3.34 116.57 115.58 1c2n h LYS 86 Ca 0.10 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 1c2n h LYS 86 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1c2n h LYS 86 CO -0.25 0.66 -0.38 1.25 -0.57 0.00 0.00 179.45 180.17 1c2n h LEU 87 N -0.60 0.00 -1.85 2.94 5.85 -0.53 -3.48 115.31 117.64 1c2n h LEU 87 Ca -0.00 0.00 -0.41 0.00 0.84 0.00 0.00 57.88 58.31 1c2n h LEU 87 Cb 0.67 0.00 0.06 0.00 0.37 0.00 0.00 40.66 41.76 1c2n h LEU 87 CO 0.01 0.38 -0.83 -0.67 -0.34 0.00 0.00 178.44 176.98 1c2n n ASP 88 N -3.26 -1.46 -3.88 1.25 2.03 0.91 -5.00 116.55 107.15 1c2n n ASP 88 Ca 0.02 -0.82 -0.19 0.00 0.52 0.00 0.00 54.79 54.32 1c2n n ASP 88 Cb 0.64 -4.09 -0.16 0.00 -0.72 0.00 0.00 41.12 36.79 1c2n n ASP 88 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1c2n s ASP 89 N -4.31 0.78 0.38 1.67 2.15 -1.25 -5.04 116.67 111.06 1c2n s ASP 89 Ca 0.03 -0.10 0.07 0.00 0.43 0.00 0.00 52.55 52.98 1c2n s ASP 89 Cb -0.01 -0.38 0.80 0.00 -0.30 0.00 0.00 42.92 43.03 1c2n s ASP 89 CO 0.81 -0.06 2.00 0.50 -0.17 0.00 0.00 175.17 178.25 1c2n h LYS 90 N 7.16 0.65 -0.59 4.34 1.63 -1.94 -1.69 116.57 126.13 1c2n h LYS 90 Ca -0.40 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 1c2n h LYS 90 Cb 1.15 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.63 1c2n h LYS 90 CO 0.48 0.43 0.00 1.63 -3.45 0.00 0.00 179.45 178.54 1c2n n LYS 91 N -4.47 1.67 -1.52 1.90 5.02 -1.26 -4.64 118.16 114.86 1c2n n LYS 91 Ca 0.08 -0.66 -0.40 0.00 -2.02 0.00 0.00 58.31 55.30 1c2n n LYS 91 Cb 0.17 -1.44 -0.01 0.00 -0.02 0.00 0.00 35.03 33.72 1c2n n LYS 91 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c2n n ALA 92 N 0.07 6.12 -2.72 7.82 0.00 -0.64 -4.67 120.51 126.50 1c2n n ALA 92 Ca 0.06 -3.66 -0.23 0.00 0.00 0.00 0.00 53.44 49.60 1c2n n ALA 92 Cb 0.32 -3.47 0.11 0.00 0.00 0.00 0.00 19.45 16.41 1c2n n ALA 92 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1c2n n LYS 93 N 5.20 0.06 -3.57 0.00 5.02 -1.26 -3.88 118.16 119.74 1c2n n LYS 93 Ca 0.61 -2.82 -0.12 0.00 -2.02 0.00 0.00 58.31 53.95 1c2n n LYS 93 Cb 0.33 -0.56 -0.04 0.00 -0.02 0.00 0.00 35.03 34.73 1c2n n LYS 93 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1c2n s THR 94 N -2.97 0.04 -0.87 -0.18 -1.32 -1.26 -4.47 115.64 104.61 1c2n s THR 94 Ca 0.65 -0.33 0.26 0.00 -1.21 0.00 0.00 61.69 61.06 1c2n s THR 94 Cb -0.04 -1.05 0.24 0.00 -1.51 0.00 0.00 72.50 70.14 1c2n s THR 94 CO 0.43 -0.18 1.81 0.61 -2.21 0.00 0.00 174.62 175.07 1c2n n GLY 95 N 0.04 -1.49 3.46 6.08 0.00 -1.26 -4.69 105.19 107.33 1c2n n GLY 95 Ca -0.17 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1c2n n GLY 95 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1c2n n MET 96 N -1.81 1.49 -1.29 1.61 0.00 -1.26 -4.80 117.12 111.06 1c2n n MET 96 Ca 0.06 -2.25 -0.34 0.00 -0.00 0.00 0.00 57.70 55.16 1c2n n MET 96 Cb 0.34 -3.50 -0.05 0.00 0.00 0.00 0.00 33.22 30.00 1c2n n MET 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1c2n n ALA 97 N 12.71 7.34 -3.63 -5.12 0.00 -1.26 -4.70 120.51 125.84 1c2n n ALA 97 Ca 0.46 -3.25 -0.12 0.00 0.00 0.00 0.00 53.44 50.53 1c2n n ALA 97 Cb 0.45 -3.16 -0.07 0.00 0.00 0.00 0.00 19.45 16.67 1c2n n ALA 97 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1c2n s PHE 98 N 1.80 -0.68 0.07 0.00 5.36 -1.26 -5.19 117.98 118.08 1c2n s PHE 98 Ca 0.69 1.65 -0.00 0.00 -0.96 0.00 0.00 56.93 58.31 1c2n s PHE 98 Cb 0.21 0.31 -0.04 0.00 -0.34 0.00 0.00 43.02 43.16 1c2n s PHE 98 CO -0.05 -0.33 -0.03 0.15 -1.46 0.00 0.00 175.22 173.50 1c2n s LYS 99 N 0.36 0.70 -0.28 10.12 1.02 -1.26 -4.72 119.74 125.68 1c2n s LYS 99 Ca 0.01 -1.27 0.00 0.00 0.02 0.00 0.00 55.97 54.73 1c2n s LYS 99 Cb -0.05 0.10 0.18 0.00 -0.52 0.00 0.00 37.83 37.53 1c2n s LYS 99 CO -0.02 -0.10 0.53 -1.17 -0.92 0.00 0.00 175.35 173.67 1c2n s LEU 100 N -2.97 -1.20 0.00 3.17 2.96 0.02 -5.01 118.68 115.66 1c2n s LEU 100 Ca 0.10 0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 54.46 1c2n s LEU 100 Cb 0.07 1.79 -0.09 0.00 0.50 0.00 0.00 46.19 48.46 1c2n s LEU 100 CO -0.07 -0.29 2.44 0.00 -1.32 0.00 0.00 176.35 177.11 1c2n n ALA 101 N 5.41 4.63 -3.81 5.97 0.00 -1.26 -3.31 120.51 128.13 1c2n n ALA 101 Ca -0.00 -0.64 0.15 0.00 0.00 0.00 0.00 53.44 52.94 1c2n n ALA 101 Cb 0.51 -1.55 0.01 0.00 0.00 0.00 0.00 19.45 18.42 1c2n n ALA 101 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1c2n n LYS 102 N 1.92 0.11 0.00 0.00 2.85 -1.26 -5.03 118.16 116.76 1c2n n LYS 102 Ca 0.15 -0.57 0.00 0.00 -1.05 0.00 0.00 58.31 56.84 1c2n n LYS 102 Cb 0.61 0.98 0.00 0.00 -0.65 0.00 0.00 35.03 35.97 1c2n n LYS 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1c2n n GLY 103 N -0.75 1.22 0.15 2.58 0.00 -1.26 -4.77 105.19 102.36 1c2n n GLY 103 Ca 0.04 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 1c2n n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c2n n GLY 104 N 0.00 -0.74 0.09 -0.02 0.00 -1.26 0.09 105.19 103.34 1c2n n GLY 104 Ca 0.00 0.44 -0.11 0.00 0.00 0.00 0.00 46.02 46.35 1c2n n GLY 104 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1c2n h GLU 105 N 0.00 0.19 -0.26 1.61 9.09 -1.86 0.23 114.58 123.57 1c2n h GLU 105 Ca 0.17 -0.02 -0.02 0.00 0.05 0.00 0.00 59.36 59.55 1c2n h GLU 105 Cb 0.27 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.33 1c2n h GLU 105 CO -0.41 0.18 0.10 -0.44 0.05 0.00 0.00 179.01 178.49 1c2n h ASP 106 N 0.13 0.37 -0.67 3.06 3.32 -0.64 -1.16 116.42 120.83 1c2n h ASP 106 Ca 0.05 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 56.93 1c2n h ASP 106 Cb 0.05 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 1c2n h ASP 106 CO -0.01 0.45 0.44 0.58 -1.72 0.00 0.00 179.24 178.97 1c2n h VAL 107 N 0.26 1.14 -0.40 -1.35 2.07 -0.79 0.12 116.25 117.31 1c2n h VAL 107 Ca 0.09 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1c2n h VAL 107 Cb 0.20 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1c2n h VAL 107 CO -0.01 0.16 0.24 0.00 0.02 0.00 0.00 177.57 177.99 1c2n h ALA 108 N 1.26 0.51 -0.60 1.67 0.00 -0.30 0.73 119.26 122.54 1c2n h ALA 108 Ca 0.26 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1c2n h ALA 108 Cb -0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1c2n h ALA 108 CO -0.07 -0.00 0.37 0.00 0.00 0.00 0.00 179.25 179.55 1c2n h ALA 109 N 1.11 0.77 0.10 0.00 0.00 -0.60 0.75 119.26 121.38 1c2n h ALA 109 Ca 0.14 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1c2n h ALA 109 Cb -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1c2n h ALA 109 CO -0.03 0.12 -0.18 -0.92 0.00 0.00 0.00 179.25 178.24 1c2n h TYR 110 N 0.74 -0.47 -0.53 0.00 3.20 -0.21 0.10 116.97 119.80 1c2n h TYR 110 Ca 0.23 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.16 1c2n h TYR 110 Cb -0.01 0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.41 1c2n h TYR 110 CO -0.05 -0.26 0.27 -0.07 -1.64 0.00 0.00 178.16 176.41 1c2n h LEU 111 N -0.34 0.39 -0.98 2.82 3.38 -0.45 0.21 115.31 120.34 1c2n h LEU 111 Ca 0.03 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1c2n h LEU 111 Cb 0.37 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 1c2n h LEU 111 CO -0.10 0.27 0.64 0.00 0.09 0.00 0.00 178.44 179.33 1c2n h ALA 112 N 1.29 1.32 -0.34 1.53 0.00 -0.52 -1.01 119.26 121.52 1c2n h ALA 112 Ca 0.23 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1c2n h ALA 112 Cb 0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1c2n h ALA 112 CO -0.16 0.51 -0.22 0.77 0.00 0.00 0.00 179.25 180.14 1c2n h SER 113 N 1.22 0.78 -0.54 0.00 0.02 0.50 -3.28 113.55 112.25 1c2n h SER 113 Ca 0.40 -0.43 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1c2n h SER 113 Cb 0.04 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 1c2n h SER 113 CO -0.13 1.05 0.31 0.58 -1.14 0.00 0.00 176.83 177.49 1c2n h VAL 114 N 0.52 1.17 -0.35 2.27 2.07 0.11 -3.40 116.25 118.65 1c2n h VAL 114 Ca 0.07 -0.42 -0.17 0.00 0.82 0.00 0.00 66.70 67.00 1c2n h VAL 114 Cb 0.78 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1c2n h VAL 114 CO 0.06 0.18 0.51 0.54 0.02 0.00 0.00 177.57 178.88 1c2n s VAL 115 N -5.92 3.27 -2.88 2.57 0.11 -0.45 -4.94 120.40 112.16 1c2n s VAL 115 Ca -0.13 -0.40 0.23 0.00 -2.93 0.00 0.00 61.98 58.75 1c2n s VAL 115 Cb 0.12 -4.07 0.18 0.00 -1.53 0.00 0.00 36.38 31.08 1c2n s VAL 115 CO 0.76 -0.51 1.23 2.29 -3.33 0.00 0.00 175.10 175.54