#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c2n n ASP 2 N 0.00 2.90 -0.33 1.61 9.92 -1.26 -4.78 116.55 124.60 1c2n n ASP 2 Ca 0.00 -2.70 0.18 0.00 -0.53 0.00 0.00 54.79 51.74 1c2n n ASP 2 Cb 0.00 -1.41 0.39 0.00 -0.64 0.00 0.00 41.12 39.46 1c2n n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1c2n h ALA 3 N 8.57 1.75 -0.24 2.24 0.00 -1.87 0.25 119.26 129.96 1c2n h ALA 3 Ca 0.34 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.40 1c2n h ALA 3 Cb 0.79 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1c2n h ALA 3 CO 1.64 -0.36 0.15 0.00 0.00 0.00 0.00 179.25 180.67 1c2n h ALA 4 N 1.76 0.30 -0.62 0.00 0.00 -1.88 0.15 119.26 118.98 1c2n h ALA 4 Ca 0.65 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.47 1c2n h ALA 4 Cb 1.30 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1c2n h ALA 4 CO -0.52 -0.20 0.16 0.87 0.00 0.00 0.00 179.25 179.56 1c2n h LYS 5 N 0.30 0.96 -0.26 0.00 1.79 -0.96 -1.66 116.57 116.73 1c2n h LYS 5 Ca 0.09 -0.20 0.03 0.00 -2.18 0.00 0.00 60.65 58.38 1c2n h LYS 5 Cb 0.01 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.49 1c2n h LYS 5 CO -0.02 0.85 0.08 0.78 -1.08 0.00 0.00 179.45 180.06 1c2n h GLY 6 N 1.03 0.32 0.62 3.86 0.00 -0.34 0.17 103.07 108.73 1c2n h GLY 6 Ca 0.20 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.52 1c2n h GLY 6 CO -0.00 0.02 -0.03 -2.09 0.00 0.00 0.00 176.54 174.44 1c2n h GLU 7 N 0.20 0.02 -0.18 4.80 4.81 -0.34 0.13 114.58 124.02 1c2n h GLU 7 Ca 0.12 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1c2n h GLU 7 Cb 0.09 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1c2n h GLU 7 CO -0.13 0.01 0.11 0.87 -0.73 0.00 0.00 179.01 179.15 1c2n h LYS 8 N 0.02 0.22 -0.61 1.92 1.57 -0.73 -2.14 116.57 116.81 1c2n h LYS 8 Ca 0.10 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.94 1c2n h LYS 8 Cb 0.14 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 1c2n h LYS 8 CO -0.20 0.15 0.41 1.49 -0.57 0.00 0.00 179.45 180.73 1c2n h GLU 9 N 0.23 0.52 0.00 3.15 4.57 -0.20 0.17 114.58 123.02 1c2n h GLU 9 Ca 0.07 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1c2n h GLU 9 Cb -0.01 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 1c2n h GLU 9 CO -0.03 0.34 0.13 0.35 -1.18 0.00 0.00 179.01 178.62 1c2n h PHE 10 N 0.54 0.00 -0.88 0.92 3.57 -0.05 -0.69 116.94 120.34 1c2n h PHE 10 Ca 0.27 0.00 0.25 0.00 3.53 0.00 0.00 57.97 62.02 1c2n h PHE 10 Cb 0.38 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 1c2n h PHE 10 CO -0.00 0.00 0.63 -0.97 -2.23 0.00 0.00 178.31 175.74 1c2n h ASN 11 N 0.00 0.07 0.14 0.41 -1.24 -1.00 0.71 115.58 114.67 1c2n h ASN 11 Ca 0.00 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 1c2n h ASN 11 Cb 0.25 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.30 1c2n h ASN 11 CO 0.00 0.02 -0.07 0.11 -1.29 0.00 0.00 177.43 176.21 1c2n h LYS 12 N 0.06 -0.18 -0.79 6.67 1.57 -1.34 -3.39 116.57 119.17 1c2n h LYS 12 Ca 0.43 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 59.40 1c2n h LYS 12 Cb 1.60 0.04 -0.14 0.00 0.08 0.00 0.00 32.23 33.81 1c2n h LYS 12 CO -0.04 -0.04 -0.01 0.00 -0.57 0.00 0.00 179.45 178.80 1c2n h LYS 14 N 0.09 0.00 -0.96 0.00 5.09 -1.09 0.74 116.57 120.45 1c2n h LYS 14 Ca 0.44 0.00 0.04 0.00 0.09 0.00 0.00 60.65 61.21 1c2n h LYS 14 Cb 0.78 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 33.06 1c2n h LYS 14 CO -0.71 0.00 0.62 1.15 -2.09 0.00 0.00 179.45 178.42 1c2n h THR 15 N 0.00 1.16 0.00 0.07 2.02 -1.33 -3.31 112.91 111.52 1c2n h THR 15 Ca 0.27 -0.41 -0.45 0.00 0.77 0.00 0.00 66.41 66.59 1c2n h THR 15 Cb 1.41 -0.15 -0.07 0.00 -1.74 0.00 0.00 68.15 67.60 1c2n h THR 15 CO -0.00 0.22 -2.48 0.00 0.37 0.00 0.00 175.52 173.63 1c2n s HIS 17 N -2.50 1.77 0.09 0.00 3.76 0.04 -0.18 115.29 118.26 1c2n s HIS 17 Ca -0.38 0.17 -0.10 0.00 -0.15 0.00 0.00 55.06 54.60 1c2n s HIS 17 Cb 0.14 -3.67 0.00 0.00 1.11 0.00 0.00 32.58 30.16 1c2n s HIS 17 CO 0.51 -2.22 0.22 -1.12 -0.85 0.00 0.00 174.74 171.29 1c2n s SER 18 N -4.80 0.05 -0.07 1.40 0.01 -1.23 -2.66 113.70 106.40 1c2n s SER 18 Ca 0.70 -0.56 -0.03 0.00 1.31 0.00 0.00 55.95 57.37 1c2n s SER 18 Cb -0.05 0.35 0.04 0.00 0.21 0.00 0.00 66.02 66.57 1c2n s SER 18 CO 0.49 -0.72 0.14 -0.63 0.41 0.00 0.00 173.24 172.93 1c2n s ILE 19 N -3.66 -0.20 -0.05 1.44 1.01 0.04 -0.75 121.20 119.04 1c2n s ILE 19 Ca 0.03 0.33 0.02 0.00 0.00 0.00 0.00 60.65 61.03 1c2n s ILE 19 Cb 0.04 -0.26 0.02 0.00 0.01 0.00 0.00 42.46 42.26 1c2n s ILE 19 CO -0.10 0.14 -0.07 -0.51 0.00 0.00 0.00 174.94 174.39 1c2n s ILE 20 N 2.03 0.75 0.83 2.92 2.07 -1.26 -0.41 121.20 128.13 1c2n s ILE 20 Ca 0.01 -0.26 -0.11 0.00 -1.41 0.00 0.00 60.65 58.87 1c2n s ILE 20 Cb -0.12 -0.73 0.10 0.00 0.13 0.00 0.00 42.46 41.84 1c2n s ILE 20 CO -0.05 0.27 1.14 0.00 -1.91 0.00 0.00 174.94 174.38 1c2n s ALA 21 N 0.74 1.86 0.31 1.50 0.00 0.12 -4.80 121.76 121.49 1c2n s ALA 21 Ca -0.12 0.54 0.05 0.00 0.00 0.00 0.00 51.96 52.43 1c2n s ALA 21 Cb -0.14 -3.39 0.70 0.00 0.00 0.00 0.00 23.12 20.29 1c2n s ALA 21 CO 0.01 -2.26 1.82 -1.35 0.00 0.00 0.00 175.76 173.99 1c2n h PRO 22 N -1.32 0.80 0.00 0.00 0.11 -1.91 0.85 132.00 130.53 1c2n h PRO 22 Ca -0.44 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1c2n h PRO 22 Cb 1.26 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1c2n h PRO 22 CO 0.46 0.53 0.00 -0.40 -0.21 0.00 0.00 178.00 178.38 1c2n n ASP 23 N -4.66 0.00 0.00 -2.05 5.68 -1.26 -4.89 116.55 109.37 1c2n n ASP 23 Ca 0.21 0.35 0.00 0.00 -0.50 0.00 0.00 54.79 54.84 1c2n n ASP 23 Cb 0.48 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 1c2n n ASP 23 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1c2n n GLY 24 N 0.24 1.27 3.63 6.12 0.00 0.29 -5.05 105.19 111.70 1c2n n GLY 24 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1c2n n GLY 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1c2n n THR 25 N -1.55 0.55 -2.06 2.61 -1.04 -1.26 -4.68 114.28 106.85 1c2n n THR 25 Ca 0.00 -0.31 -0.42 0.00 -2.04 0.00 0.00 64.05 61.28 1c2n n THR 25 Cb 0.00 -2.45 -0.03 0.00 -1.82 0.00 0.00 70.33 66.03 1c2n n THR 25 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1c2n s GLU 26 N 5.47 4.09 -0.14 -2.82 2.02 -1.26 -0.70 118.70 125.35 1c2n s GLU 26 Ca 0.95 2.02 -0.11 0.00 0.02 0.00 0.00 54.97 57.86 1c2n s GLU 26 Cb -0.38 -3.98 -0.25 0.00 0.10 0.00 0.00 34.13 29.62 1c2n s GLU 26 CO 0.39 -0.95 0.35 0.82 0.02 0.00 0.00 175.26 175.88 1c2n h ILE 27 N 5.72 0.72 -3.42 -1.63 1.08 -1.10 -3.47 117.51 115.40 1c2n h ILE 27 Ca -0.37 -2.31 -0.28 0.00 -0.39 0.00 0.00 64.86 61.51 1c2n h ILE 27 Cb 1.17 2.45 -0.33 0.00 -3.07 0.00 0.00 36.82 37.03 1c2n h ILE 27 CO 0.97 0.75 -0.69 -0.69 -0.69 0.00 0.00 178.15 177.80 1c2n s VAL 28 N -2.51 -0.06 -0.57 1.67 1.01 0.45 -4.91 120.40 115.48 1c2n s VAL 28 Ca -0.24 0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.02 1c2n s VAL 28 Cb 0.06 -0.14 0.22 0.00 0.00 0.00 0.00 36.38 36.52 1c2n s VAL 28 CO 0.73 0.09 0.57 1.17 0.00 0.00 0.00 175.10 177.66 1c2n n LYS 29 N 4.24 1.59 0.00 2.72 0.00 -1.26 -0.78 118.16 124.67 1c2n n LYS 29 Ca -0.27 -4.07 0.00 0.00 0.00 0.00 0.00 58.31 53.97 1c2n n LYS 29 Cb 0.51 -1.94 0.00 0.00 0.00 0.00 0.00 35.03 33.60 1c2n n LYS 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1c2n n GLY 30 N 1.56 -2.81 1.90 3.14 0.00 -1.09 -4.87 105.19 103.01 1c2n n GLY 30 Ca 0.25 -1.37 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 1c2n n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c2n n ALA 31 N -3.00 5.31 -2.36 4.61 0.00 0.06 -4.82 120.51 120.32 1c2n n ALA 31 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 53.44 52.03 1c2n n ALA 31 Cb 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1c2n n ALA 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1c2n n LYS 32 N 1.35 -0.73 -0.01 0.00 3.00 -1.24 -4.77 118.16 115.76 1c2n n LYS 32 Ca 0.27 -0.27 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 1c2n n LYS 32 Cb 0.63 0.49 -0.14 0.00 0.00 0.00 0.00 35.03 36.01 1c2n n LYS 32 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1c2n h THR 33 N 1.79 0.88 -1.61 3.15 2.02 -0.85 -3.47 112.91 114.81 1c2n h THR 33 Ca 0.00 -2.72 -0.63 0.00 0.77 0.00 0.00 66.41 63.84 1c2n h THR 33 Cb 0.00 2.46 -0.13 0.00 -1.74 0.00 0.00 68.15 68.74 1c2n h THR 33 CO 0.00 0.55 -0.59 -0.83 0.37 0.00 0.00 175.52 175.02 1c2n s GLY 34 N -5.12 2.51 1.04 2.16 0.00 -0.03 -4.98 107.32 102.90 1c2n s GLY 34 Ca -0.06 -2.23 -0.12 0.00 0.00 0.00 0.00 44.72 42.31 1c2n s GLY 34 CO 0.82 -2.09 1.07 2.56 0.00 0.00 0.00 173.10 175.46 1c2n s PRO 35 N -3.73 0.08 -0.10 2.90 0.04 -1.26 -4.56 135.00 128.37 1c2n s PRO 35 Ca 0.35 0.85 -0.29 0.00 0.04 0.00 0.00 61.00 61.95 1c2n s PRO 35 Cb 0.09 -1.67 -0.01 0.00 0.04 0.00 0.00 34.50 32.95 1c2n s PRO 35 CO 0.18 -3.06 0.98 1.21 0.04 0.00 0.00 177.00 176.36 1c2n s ASN 36 N -2.94 7.23 0.00 6.66 3.84 -1.26 -3.52 114.94 124.94 1c2n s ASN 36 Ca 0.66 1.50 0.22 0.00 0.21 0.00 0.00 52.86 55.45 1c2n s ASN 36 Cb -0.22 -2.55 0.63 0.00 -0.55 0.00 0.00 41.25 38.57 1c2n s ASN 36 CO 0.61 -0.42 1.49 0.18 -2.79 0.00 0.00 177.10 176.17 1c2n n LEU 37 N 4.92 2.22 -4.57 3.21 4.77 0.08 -4.79 117.00 122.85 1c2n n LEU 37 Ca 0.08 -0.93 -0.24 0.00 -0.03 0.00 0.00 56.01 54.89 1c2n n LEU 37 Cb 0.49 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.38 1c2n n LEU 37 CO 0.52 0.47 1.34 -0.47 -1.33 0.00 0.00 177.39 177.91 1c2n s TYR 38 N -1.71 1.69 0.00 -1.77 6.14 -1.26 -1.11 117.35 119.32 1c2n s TYR 38 Ca 0.34 0.94 0.00 0.00 0.64 0.00 0.00 57.07 58.99 1c2n s TYR 38 Cb 0.19 -3.88 0.00 0.00 0.42 0.00 0.00 41.96 38.69 1c2n s TYR 38 CO 0.28 -1.52 0.00 0.41 0.64 0.00 0.00 175.55 175.36 1c2n n GLY 39 N 6.57 1.73 0.29 8.97 0.00 -1.26 -4.93 105.19 116.55 1c2n n GLY 39 Ca 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.40 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 1.18 -2.25 1.61 3.04 -1.43 -3.36 116.25 115.04 1c2n h VAL 40 Ca 0.00 -0.34 -0.56 0.00 -1.01 0.00 0.00 66.70 64.79 1c2n h VAL 40 Cb 0.00 0.11 0.00 0.00 -2.01 0.00 0.00 31.29 29.39 1c2n h VAL 40 CO 0.00 0.18 1.34 -0.69 -1.01 0.00 0.00 177.57 177.39 1c2n s VAL 41 N -6.14 3.12 0.00 1.51 1.01 -1.26 -0.43 120.40 118.20 1c2n s VAL 41 Ca -0.13 0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1c2n s VAL 41 Cb 0.15 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1c2n s VAL 41 CO 0.78 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.43 1c2n n GLY 42 N 5.15 1.27 3.76 4.51 0.00 0.11 -5.00 105.19 114.99 1c2n n GLY 42 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.91 4.42 -0.57 1.61 6.06 0.42 -4.47 118.95 125.51 1c2n s ARG 43 Ca 0.00 2.10 -0.25 0.00 -2.50 0.00 0.00 55.73 55.09 1c2n s ARG 43 Cb 0.00 -3.12 -0.22 0.00 0.06 0.00 0.00 34.95 31.67 1c2n s ARG 43 CO 0.00 -0.13 1.83 2.41 -2.50 0.00 0.00 175.30 176.91 1c2n n THR 44 N 1.33 1.28 -4.13 4.11 -1.04 -1.26 -0.93 114.28 113.64 1c2n n THR 44 Ca 0.01 -1.13 0.00 0.00 -2.04 0.00 0.00 64.05 60.89 1c2n n THR 44 Cb 0.43 -2.22 0.00 0.00 -1.82 0.00 0.00 70.33 66.71 1c2n n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1c2n n ALA 45 N 8.24 0.00 -1.51 2.41 0.00 -1.20 -3.80 120.51 124.65 1c2n n ALA 45 Ca 0.49 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.54 1c2n n ALA 45 Cb 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.80 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 0.00 2.05 0.00 0.00 0.00 -1.23 -4.13 105.19 101.88 1c2n n GLY 46 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 6.62 0.02 -1.85 2.61 -2.24 -1.25 -4.44 114.28 113.76 1c2n n THR 47 Ca 0.48 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.81 1c2n n THR 47 Cb 0.43 1.68 -0.02 0.00 -2.10 0.00 0.00 70.33 70.31 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 -0.02 2.91 0.97 4.78 6.14 -1.26 -4.93 117.35 125.94 1c2n s TYR 48 Ca 0.00 0.70 -0.12 0.00 0.64 0.00 0.00 57.07 58.30 1c2n s TYR 48 Cb 0.00 -4.01 0.14 0.00 0.42 0.00 0.00 41.96 38.51 1c2n s TYR 48 CO 0.00 -3.53 0.88 -0.35 0.64 0.00 0.00 175.55 173.18 1c2n n PRO 49 N 2.99 -0.75 -3.38 4.97 -0.04 -1.26 -4.19 135.00 133.34 1c2n n PRO 49 Ca 0.11 -0.16 -0.19 0.00 -0.04 0.00 0.00 63.50 63.21 1c2n n PRO 49 Cb 0.38 -2.18 0.06 0.00 -0.04 0.00 0.00 33.50 31.72 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 -3.57 -2.53 -3.55 0.54 -0.58 -1.26 -4.66 120.64 105.03 1c2n n GLU 50 Ca 0.09 0.77 -0.01 0.00 -0.42 0.00 0.00 57.16 57.59 1c2n n GLU 50 Cb 0.53 -5.44 -0.05 0.00 -0.57 0.00 0.00 31.44 25.91 1c2n n GLU 50 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1c2n s PHE 51 N -3.42 -0.89 -1.04 -0.32 5.36 -1.26 -4.76 117.98 111.65 1c2n s PHE 51 Ca 0.40 1.61 -0.23 0.00 -0.96 0.00 0.00 56.93 57.75 1c2n s PHE 51 Cb -0.08 0.53 0.04 0.00 -0.34 0.00 0.00 43.02 43.18 1c2n s PHE 51 CO 0.77 -0.44 1.52 0.21 -1.46 0.00 0.00 175.22 175.81 1c2n s LYS 52 N 2.26 3.55 0.50 10.12 2.20 -1.26 -4.99 119.74 132.13 1c2n s LYS 52 Ca -0.06 -1.15 -0.08 0.00 -0.36 0.00 0.00 55.97 54.32 1c2n s LYS 52 Cb -0.07 -5.36 0.12 0.00 -1.51 0.00 0.00 37.83 31.01 1c2n s LYS 52 CO -0.18 -2.31 0.49 0.66 -0.36 0.00 0.00 175.35 173.65 1c2n n TYR 53 N 9.22 -3.50 -3.53 4.03 4.01 -1.26 -5.11 117.16 121.02 1c2n n TYR 53 Ca 0.35 -0.44 -0.21 0.00 -0.16 0.00 0.00 57.90 57.45 1c2n n TYR 53 Cb 0.50 -0.47 0.02 0.00 -0.31 0.00 0.00 39.34 39.08 1c2n n TYR 53 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1c2n n LYS 54 N -2.78 0.73 -0.01 -0.72 5.02 -1.26 -5.05 118.16 114.09 1c2n n LYS 54 Ca 0.07 -2.90 -0.14 0.00 -2.02 0.00 0.00 58.31 53.32 1c2n n LYS 54 Cb 0.25 0.12 -0.02 0.00 -0.02 0.00 0.00 35.03 35.36 1c2n n LYS 54 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1c2n h ASP 55 N 0.39 0.78 0.68 4.39 3.58 -1.97 -3.07 116.42 121.20 1c2n h ASP 55 Ca -0.28 -0.48 -0.03 0.00 0.42 0.00 0.00 57.03 56.66 1c2n h ASP 55 Cb 1.10 -0.23 0.01 0.00 1.72 0.00 0.00 39.33 41.93 1c2n h ASP 55 CO 0.42 1.25 -0.33 0.77 -2.88 0.00 0.00 179.24 178.47 1c2n h SER 56 N 0.48 -0.78 -0.59 2.28 4.64 -1.84 0.13 113.55 117.87 1c2n h SER 56 Ca -0.02 0.03 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1c2n h SER 56 Cb 1.28 0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 63.54 1c2n h SER 56 CO 0.13 -0.54 0.39 -0.29 -0.87 0.00 0.00 176.83 175.65 1c2n h ILE 57 N -0.94 1.12 -0.09 0.95 6.09 -1.83 0.75 117.51 123.55 1c2n h ILE 57 Ca -0.09 -0.26 -0.02 0.00 -1.37 0.00 0.00 64.86 63.12 1c2n h ILE 57 Cb 0.70 0.30 -0.00 0.00 0.47 0.00 0.00 36.82 38.29 1c2n h ILE 57 CO 0.15 0.14 -0.03 0.58 -3.07 0.00 0.00 178.15 175.93 1c2n h VAL 58 N 0.76 1.30 -0.93 2.19 2.07 -1.46 -2.37 116.25 117.81 1c2n h VAL 58 Ca 0.22 -0.96 0.06 0.00 0.82 0.00 0.00 66.70 66.85 1c2n h VAL 58 Cb -0.02 1.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 1c2n h VAL 58 CO -0.05 0.27 0.59 0.00 0.02 0.00 0.00 177.57 178.40 1c2n h ALA 59 N 0.67 1.29 -0.24 1.67 0.00 0.03 0.12 119.26 122.80 1c2n h ALA 59 Ca 0.02 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1c2n h ALA 59 Cb 0.44 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1c2n h ALA 59 CO 0.01 0.35 -0.03 1.25 0.00 0.00 0.00 179.25 180.84 1c2n h LEU 60 N 1.07 -0.16 0.05 0.00 5.85 -0.75 0.12 115.31 121.49 1c2n h LEU 60 Ca 0.40 0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.21 1c2n h LEU 60 Cb 0.18 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1c2n h LEU 60 CO -0.18 -0.05 -0.17 1.23 -0.34 0.00 0.00 178.44 178.94 1c2n h GLY 61 N 0.04 -0.27 0.64 3.75 0.00 -0.68 -2.57 103.07 103.98 1c2n h GLY 61 Ca 0.11 0.20 0.13 0.00 0.00 0.00 0.00 47.33 47.77 1c2n h GLY 61 CO -0.22 -0.16 0.55 0.00 0.00 0.00 0.00 176.54 176.71 1c2n h ALA 62 N 0.57 1.82 0.00 3.60 0.00 -0.15 0.12 119.26 125.21 1c2n h ALA 62 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1c2n h ALA 62 Cb 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1c2n h ALA 62 CO -0.13 -0.03 0.00 -1.13 0.00 0.00 0.00 179.25 177.96 1c2n n SER 63 N -4.54 0.22 0.00 0.00 3.41 0.35 -4.81 113.62 108.25 1c2n n SER 63 Ca 0.16 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 1c2n n SER 63 Cb 0.42 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1c2n n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c2n n GLY 64 N -0.38 1.35 3.76 5.00 0.00 0.39 -5.11 105.19 110.20 1c2n n GLY 64 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 3.69 -0.02 1.61 5.36 -1.05 -5.03 117.98 120.55 1c2n s PHE 65 Ca 0.00 1.78 0.01 0.00 -0.96 0.00 0.00 56.93 57.75 1c2n s PHE 65 Cb 0.00 -3.12 0.02 0.00 -0.34 0.00 0.00 43.02 39.58 1c2n s PHE 65 CO 0.00 -0.13 -0.02 0.00 -1.46 0.00 0.00 175.22 173.61 1c2n s ALA 66 N -1.28 0.33 0.45 11.12 0.00 -1.26 -3.21 121.76 127.90 1c2n s ALA 66 Ca 0.46 0.04 -0.25 0.00 0.00 0.00 0.00 51.96 52.20 1c2n s ALA 66 Cb -0.27 -0.24 -0.08 0.00 0.00 0.00 0.00 23.12 22.53 1c2n s ALA 66 CO 0.34 -0.01 1.37 -1.58 0.00 0.00 0.00 175.76 175.88 1c2n s TRP 67 N 0.61 2.57 0.22 0.00 0.52 -0.10 -4.86 118.94 117.89 1c2n s TRP 67 Ca -0.06 1.33 0.02 0.00 0.02 0.00 0.00 56.10 57.41 1c2n s TRP 67 Cb -0.09 -3.81 -0.05 0.00 -1.15 0.00 0.00 33.47 28.37 1c2n s TRP 67 CO -0.01 -2.62 0.03 0.95 0.02 0.00 0.00 176.95 175.32 1c2n s THR 68 N -1.24 0.78 0.22 2.01 -4.23 -1.26 0.08 115.64 112.00 1c2n s THR 68 Ca 0.61 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 59.04 1c2n s THR 68 Cb -0.41 -2.35 0.16 0.00 1.34 0.00 0.00 72.50 71.24 1c2n s THR 68 CO 0.52 -0.28 1.80 1.05 -0.54 0.00 0.00 174.62 177.17 1c2n h GLU 69 N 2.52 0.66 -0.12 3.99 4.11 -1.96 0.64 114.58 124.42 1c2n h GLU 69 Ca -0.38 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 58.98 1c2n h GLU 69 Cb 1.22 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1c2n h GLU 69 CO 0.63 0.44 -0.04 1.05 0.07 0.00 0.00 179.01 181.16 1c2n h GLU 70 N 0.68 0.24 -0.35 1.06 4.11 -1.96 0.29 114.58 118.65 1c2n h GLU 70 Ca 0.33 -0.09 -0.01 0.00 0.07 0.00 0.00 59.36 59.65 1c2n h GLU 70 Cb 0.26 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1c2n h GLU 70 CO -0.21 0.55 0.17 -0.44 0.07 0.00 0.00 179.01 179.15 1c2n h ASP 71 N -0.08 0.45 0.26 3.06 3.32 -1.85 -0.27 116.42 121.30 1c2n h ASP 71 Ca 0.03 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1c2n h ASP 71 Cb 0.46 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1c2n h ASP 71 CO 0.01 0.43 -0.25 0.40 -1.72 0.00 0.00 179.24 178.12 1c2n h ILE 72 N 0.43 0.47 -0.77 0.35 2.04 -0.82 0.14 117.51 119.36 1c2n h ILE 72 Ca 0.12 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.16 1c2n h ILE 72 Cb 0.10 0.47 -0.12 0.00 -0.74 0.00 0.00 36.82 36.53 1c2n h ILE 72 CO -0.02 0.00 0.13 0.00 0.00 0.00 0.00 178.15 178.27 1c2n h ALA 73 N 0.13 0.96 0.40 1.87 0.00 -0.67 0.78 119.26 122.72 1c2n h ALA 73 Ca -0.01 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1c2n h ALA 73 Cb 0.49 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1c2n h ALA 73 CO -0.05 -0.39 -0.19 1.15 0.00 0.00 0.00 179.25 179.77 1c2n h THR 74 N 0.20 0.00 -0.85 0.00 2.02 -0.61 -3.27 112.91 110.40 1c2n h THR 74 Ca 0.44 -0.08 0.19 0.00 0.77 0.00 0.00 66.41 67.73 1c2n h THR 74 Cb 0.79 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.04 1c2n h THR 74 CO -0.58 0.00 -0.12 0.22 0.37 0.00 0.00 175.52 175.41 1c2n h TYR 75 N -0.61 -0.28 -0.39 3.16 3.20 -0.22 0.19 116.97 122.01 1c2n h TYR 75 Ca -0.05 0.07 0.11 0.00 3.14 0.00 0.00 58.73 62.00 1c2n h TYR 75 Cb 0.41 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 1c2n h TYR 75 CO 0.10 -0.35 0.43 0.28 -1.64 0.00 0.00 178.16 176.98 1c2n h VAL 76 N 0.03 0.38 -0.11 1.81 2.07 -0.91 0.66 116.25 120.18 1c2n h VAL 76 Ca 0.44 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.96 1c2n h VAL 76 Cb 0.75 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1c2n h VAL 76 CO -0.83 0.00 0.00 2.29 0.02 0.00 0.00 177.57 179.05 1c2n n LYS 77 N -3.71 2.44 -2.73 1.57 -0.00 0.03 -1.01 118.16 114.75 1c2n n LYS 77 Ca 0.07 -2.18 -0.09 0.00 -0.00 0.00 0.00 58.31 56.11 1c2n n LYS 77 Cb 0.60 -1.36 0.10 0.00 -0.00 0.00 0.00 35.03 34.36 1c2n n LYS 77 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1c2n n ASP 78 N -0.60 -2.11 -4.74 -5.58 5.68 0.11 -4.85 116.55 104.47 1c2n n ASP 78 Ca 0.11 -3.30 -0.32 0.00 -0.50 0.00 0.00 54.79 50.78 1c2n n ASP 78 Cb 0.52 1.57 0.09 0.00 -1.14 0.00 0.00 41.12 42.17 1c2n n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 1c2n s PRO 79 N 0.16 2.19 0.00 0.11 0.04 -0.54 -1.14 135.00 135.81 1c2n s PRO 79 Ca 0.22 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1c2n s PRO 79 Cb 0.33 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.99 1c2n s PRO 79 CO -0.06 -1.73 0.00 0.41 0.04 0.00 0.00 177.00 175.66 1c2n n GLY 80 N -0.46 1.76 0.23 0.56 0.00 -1.26 -4.41 105.19 101.62 1c2n n GLY 80 Ca 0.11 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.12 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 0.65 -0.28 4.61 0.00 -1.84 0.14 119.26 122.54 1c2n h ALA 81 Ca 0.00 0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1c2n h ALA 81 Cb 0.00 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1c2n h ALA 81 CO 0.00 -0.37 -0.21 0.35 0.00 0.00 0.00 179.25 179.02 1c2n h PHE 82 N 0.16 -0.54 0.61 0.00 3.57 -1.34 0.37 116.94 119.78 1c2n h PHE 82 Ca 0.32 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.83 1c2n h PHE 82 Cb 0.52 0.28 0.01 0.00 2.79 0.00 0.00 35.95 39.55 1c2n h PHE 82 CO -0.33 -0.28 -0.29 -0.07 -2.23 0.00 0.00 178.31 175.11 1c2n h LEU 83 N -0.19 -0.70 -0.66 0.59 3.38 -1.19 -0.37 115.31 116.18 1c2n h LEU 83 Ca 0.15 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.27 1c2n h LEU 83 Cb 0.42 0.18 -0.11 0.00 0.09 0.00 0.00 40.66 41.24 1c2n h LEU 83 CO -0.39 -0.48 0.04 0.11 0.09 0.00 0.00 178.44 177.81 1c2n h LYS 84 N -0.85 0.14 0.25 1.13 1.57 -0.54 0.15 116.57 118.41 1c2n h LYS 84 Ca -0.08 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1c2n h LYS 84 Cb 0.64 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1c2n h LYS 84 CO 0.14 0.09 -0.12 1.49 -0.57 0.00 0.00 179.45 180.48 1c2n h GLU 85 N 0.15 -0.32 -1.00 3.15 4.81 -0.79 0.17 114.58 120.74 1c2n h GLU 85 Ca 0.35 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.74 1c2n h GLU 85 Cb 0.58 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 29.95 1c2n h GLU 85 CO -0.54 -0.21 0.63 0.87 -0.73 0.00 0.00 179.01 179.02 1c2n h LYS 86 N -0.39 0.91 -0.02 1.92 1.79 -0.82 -0.23 116.57 119.74 1c2n h LYS 86 Ca -0.03 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1c2n h LYS 86 Cb 0.26 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1c2n h LYS 86 CO 0.06 0.60 -0.02 -0.11 -1.08 0.00 0.00 179.45 178.89 1c2n n LEU 87 N -4.64 1.79 -3.99 2.94 7.94 0.50 -4.97 117.00 116.56 1c2n n LEU 87 Ca 0.20 -0.59 -0.40 0.00 -1.11 0.00 0.00 56.01 54.10 1c2n n LEU 87 Cb 0.40 -0.01 0.01 0.00 0.53 0.00 0.00 43.42 44.36 1c2n n LEU 87 CO 0.26 0.30 -0.17 -0.67 -1.11 0.00 0.00 177.39 176.00 1c2n n ASP 88 N 0.36 -3.73 -3.95 1.96 2.03 -0.10 -4.98 116.55 108.14 1c2n n ASP 88 Ca 0.17 -1.21 -0.09 0.00 0.52 0.00 0.00 54.79 54.19 1c2n n ASP 88 Cb 0.41 -2.21 -0.09 0.00 -0.72 0.00 0.00 41.12 38.51 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 -3.65 0.25 -0.23 1.67 2.15 -0.13 -5.03 116.67 111.71 1c2n s ASP 89 Ca 0.41 -0.70 -0.20 0.00 0.43 0.00 0.00 52.55 52.50 1c2n s ASP 89 Cb -0.20 0.25 -0.17 0.00 -0.30 0.00 0.00 42.92 42.50 1c2n s ASP 89 CO 0.94 -0.60 0.06 1.17 -0.17 0.00 0.00 175.17 176.57 1c2n n LYS 90 N 0.33 0.57 -0.60 4.34 0.00 -1.26 -4.32 118.16 117.22 1c2n n LYS 90 Ca -0.16 0.50 -0.03 0.00 0.00 0.00 0.00 58.31 58.62 1c2n n LYS 90 Cb 0.60 -1.68 -0.04 0.00 0.00 0.00 0.00 35.03 33.91 1c2n n LYS 90 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1c2n n LYS 91 N -4.39 1.19 -3.78 1.64 2.85 -1.26 -4.66 118.16 109.75 1c2n n LYS 91 Ca -0.37 -0.21 -0.35 0.00 -1.05 0.00 0.00 58.31 56.32 1c2n n LYS 91 Cb 0.73 -1.23 -0.11 0.00 -0.65 0.00 0.00 35.03 33.77 1c2n n LYS 91 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1c2n s ALA 92 N 0.27 3.49 -0.04 0.58 0.00 -1.26 -4.70 121.76 120.09 1c2n s ALA 92 Ca 0.14 -3.22 0.02 0.00 0.00 0.00 0.00 51.96 48.90 1c2n s ALA 92 Cb 0.07 -2.52 0.01 0.00 0.00 0.00 0.00 23.12 20.68 1c2n s ALA 92 CO 0.00 -2.06 -0.09 0.15 0.00 0.00 0.00 175.76 173.75 1c2n s LYS 93 N -0.05 1.18 0.31 0.00 1.02 -1.26 -4.11 119.74 116.82 1c2n s LYS 93 Ca 0.16 -0.30 -0.06 0.00 0.02 0.00 0.00 55.97 55.79 1c2n s LYS 93 Cb -0.22 -1.06 -0.06 0.00 -0.52 0.00 0.00 37.83 35.98 1c2n s LYS 93 CO -0.03 0.05 0.60 -0.08 -0.92 0.00 0.00 175.35 174.97 1c2n s THR 94 N 0.49 4.97 -0.04 2.17 -1.32 -1.26 -4.67 115.64 115.97 1c2n s THR 94 Ca -0.09 0.19 0.29 0.00 -1.21 0.00 0.00 61.69 60.88 1c2n s THR 94 Cb -0.12 -3.73 0.31 0.00 -1.51 0.00 0.00 72.50 67.45 1c2n s THR 94 CO 0.01 -0.35 1.89 1.23 -2.21 0.00 0.00 174.62 175.19 1c2n h GLY 95 N 1.63 0.00 -7.28 6.08 0.00 -2.01 -3.41 103.07 98.08 1c2n h GLY 95 Ca -0.48 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.69 1c2n h GLY 95 CO 0.66 0.00 0.47 -0.29 0.00 0.00 0.00 176.54 177.38 1c2n s MET 96 N -3.63 1.91 -1.46 4.80 -2.45 -1.26 -4.81 119.30 112.40 1c2n s MET 96 Ca -0.00 -0.42 -0.09 0.00 -1.25 0.00 0.00 55.69 53.93 1c2n s MET 96 Cb 0.09 -5.03 -0.07 0.00 1.25 0.00 0.00 34.83 31.07 1c2n s MET 96 CO 0.37 -4.43 2.93 0.00 1.05 0.00 0.00 175.02 174.94 1c2n n ALA 97 N 16.85 7.39 -3.52 4.11 0.00 -1.26 -4.74 120.51 139.34 1c2n n ALA 97 Ca 0.43 -3.49 -0.17 0.00 0.00 0.00 0.00 53.44 50.21 1c2n n ALA 97 Cb 0.46 -3.21 -0.06 0.00 0.00 0.00 0.00 19.45 16.64 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 1.58 -0.64 0.13 0.00 2.19 -1.26 -5.19 117.98 114.79 1c2n s PHE 98 Ca 0.67 1.05 -0.05 0.00 0.33 0.00 0.00 56.93 58.93 1c2n s PHE 98 Cb 0.19 0.42 -0.02 0.00 -1.31 0.00 0.00 43.02 42.30 1c2n s PHE 98 CO -0.06 -0.61 0.15 0.15 1.83 0.00 0.00 175.22 176.68 1c2n s LYS 99 N -1.37 0.98 0.41 10.12 1.02 -1.26 -4.80 119.74 124.84 1c2n s LYS 99 Ca -0.10 -1.26 0.08 0.00 0.02 0.00 0.00 55.97 54.71 1c2n s LYS 99 Cb -0.00 0.30 0.01 0.00 -0.52 0.00 0.00 37.83 37.62 1c2n s LYS 99 CO 0.08 -0.31 0.56 -1.17 -0.92 0.00 0.00 175.35 173.59 1c2n s LEU 100 N -2.98 3.69 -0.25 3.17 2.96 -0.18 -5.00 118.68 120.10 1c2n s LEU 100 Ca 0.18 -0.38 0.13 0.00 -0.22 0.00 0.00 54.13 53.83 1c2n s LEU 100 Cb 0.06 -2.68 0.46 0.00 0.50 0.00 0.00 46.19 44.53 1c2n s LEU 100 CO -0.01 -0.72 1.18 0.00 -1.32 0.00 0.00 176.35 175.47 1c2n n ALA 101 N -1.83 4.04 -2.81 5.97 0.00 -1.26 -4.62 120.51 120.00 1c2n n ALA 101 Ca 0.07 -3.37 -0.10 0.00 0.00 0.00 0.00 53.44 50.04 1c2n n ALA 101 Cb 0.59 -0.48 -0.07 0.00 0.00 0.00 0.00 19.45 19.49 1c2n n ALA 101 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1c2n s LYS 102 N -3.32 1.45 0.00 0.00 1.02 -1.26 -5.04 119.74 112.59 1c2n s LYS 102 Ca 0.42 -1.42 0.11 0.00 0.02 0.00 0.00 55.97 55.11 1c2n s LYS 102 Cb 0.38 0.40 0.49 0.00 -0.52 0.00 0.00 37.83 38.57 1c2n s LYS 102 CO -0.01 -0.56 1.36 0.41 -0.92 0.00 0.00 175.35 175.63 1c2n n GLY 103 N -0.35 -0.89 2.57 -3.33 0.00 -1.26 -4.65 105.19 97.28 1c2n n GLY 103 Ca -0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.34 0.63 0.17 -0.02 0.00 -1.26 -4.29 105.19 100.07 1c2n n GLY 104 Ca 0.03 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 0.21 0.49 -0.03 1.61 9.09 -1.89 0.10 114.58 124.17 1c2n h GLU 105 Ca -0.10 -0.06 0.03 0.00 0.05 0.00 0.00 59.36 59.28 1c2n h GLU 105 Cb 0.75 -0.10 -0.04 0.00 -1.65 0.00 0.00 28.75 27.72 1c2n h GLU 105 CO 0.15 0.41 -0.18 0.38 0.05 0.00 0.00 179.01 179.83 1c2n h ASP 106 N 0.44 -0.53 -0.38 3.06 2.03 -1.88 0.69 116.42 119.85 1c2n h ASP 106 Ca 0.12 0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.51 1c2n h ASP 106 Cb 0.07 0.23 -0.02 0.00 -0.83 0.00 0.00 39.33 38.78 1c2n h ASP 106 CO -0.02 -0.24 0.25 0.58 -1.03 0.00 0.00 179.24 178.78 1c2n h VAL 107 N -0.27 1.10 -0.50 4.15 2.07 -1.77 0.51 116.25 121.54 1c2n h VAL 107 Ca 0.07 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1c2n h VAL 107 Cb 0.36 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1c2n h VAL 107 CO -0.19 0.10 0.30 0.00 0.02 0.00 0.00 177.57 177.80 1c2n h ALA 108 N 1.13 0.64 -0.63 1.67 0.00 -0.47 0.50 119.26 122.09 1c2n h ALA 108 Ca 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1c2n h ALA 108 Cb -0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1c2n h ALA 108 CO -0.03 0.00 0.37 0.00 0.00 0.00 0.00 179.25 179.59 1c2n h ALA 109 N 1.22 0.81 0.09 0.00 0.00 -0.35 0.11 119.26 121.12 1c2n h ALA 109 Ca 0.20 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1c2n h ALA 109 Cb 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1c2n h ALA 109 CO -0.09 0.30 -0.14 -0.92 0.00 0.00 0.00 179.25 178.41 1c2n h TYR 110 N 0.86 -0.35 -0.62 0.00 3.20 -0.29 0.35 116.97 120.12 1c2n h TYR 110 Ca 0.22 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.13 1c2n h TYR 110 Cb 0.00 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 1c2n h TYR 110 CO -0.01 -0.21 0.38 -0.07 -1.64 0.00 0.00 178.16 176.61 1c2n h LEU 111 N -0.27 0.62 -0.67 2.82 3.38 -0.58 0.86 115.31 121.48 1c2n h LEU 111 Ca 0.02 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1c2n h LEU 111 Cb 0.29 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 1c2n h LEU 111 CO -0.07 0.44 0.34 0.00 0.09 0.00 0.00 178.44 179.23 1c2n h ALA 112 N 1.27 0.90 -0.74 1.53 0.00 -0.50 0.10 119.26 121.82 1c2n h ALA 112 Ca 0.25 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1c2n h ALA 112 Cb 0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1c2n h ALA 112 CO -0.10 -0.03 0.39 0.77 0.00 0.00 0.00 179.25 180.28 1c2n h SER 113 N 0.60 0.92 -0.34 0.00 0.02 0.67 -1.86 113.55 113.56 1c2n h SER 113 Ca 0.32 -0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 61.10 1c2n h SER 113 Cb 0.29 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1c2n h SER 113 CO -0.23 0.75 -0.09 0.58 -1.14 0.00 0.00 176.83 176.70 1c2n h VAL 114 N 1.04 1.25 -1.23 2.27 2.07 0.11 -3.40 116.25 118.35 1c2n h VAL 114 Ca 0.26 -1.13 -0.38 0.00 0.82 0.00 0.00 66.70 66.27 1c2n h VAL 114 Cb 0.05 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1c2n h VAL 114 CO -0.04 0.39 0.99 -0.69 0.02 0.00 0.00 177.57 178.24 1c2n s VAL 115 N -4.83 3.41 0.00 2.57 1.01 0.15 -4.68 120.40 118.03 1c2n s VAL 115 Ca -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1c2n s VAL 115 Cb 0.14 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1c2n s VAL 115 CO 0.82 -0.94 0.00 2.29 0.00 0.00 0.00 175.10 177.27