#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 2.85 -0.34 1.61 9.92 -1.26 -4.76 116.55 124.56 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 -1.37 0.41 0.00 -0.64 0.00 0.00 41.12 39.52 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 8.44 1.89 -0.55 2.24 0.00 -1.88 0.25 119.26 129.65 1c2n h ALA 3 Ca 0.36 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.42 1c2n h ALA 3 Cb 0.77 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1c2n h ALA 3 CO 1.69 -0.33 0.28 0.00 0.00 0.00 0.00 179.25 180.88 1c2n h ALA 4 N 1.69 0.70 -0.37 0.00 0.00 -1.87 0.14 119.26 119.56 1c2n h ALA 4 Ca 0.62 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.44 1c2n h ALA 4 Cb 1.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1c2n h ALA 4 CO -0.42 -0.07 -0.24 0.87 0.00 0.00 0.00 179.25 179.39 1c2n h LYS 5 N 0.53 0.81 -0.67 0.00 1.57 -0.93 -3.18 116.57 114.70 1c2n h LYS 5 Ca 0.24 -0.38 0.14 0.00 -1.87 0.00 0.00 60.65 58.78 1c2n h LYS 5 Cb 0.16 -0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.36 1c2n h LYS 5 CO -0.17 1.01 0.12 0.78 -0.57 0.00 0.00 179.45 180.62 1c2n h GLY 6 N 0.61 0.86 0.26 3.86 0.00 0.19 0.13 103.07 108.99 1c2n h GLY 6 Ca 0.07 -0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.45 1c2n h GLY 6 CO 0.07 -0.18 -0.28 0.83 0.00 0.00 0.00 176.54 176.98 1c2n h GLU 7 N 0.23 -0.35 -0.21 4.80 5.08 -0.75 0.11 114.58 123.48 1c2n h GLU 7 Ca 0.37 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 1c2n h GLU 7 Cb 0.60 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1c2n h GLU 7 CO -0.49 -0.24 0.10 0.87 -1.00 0.00 0.00 179.01 178.25 1c2n h LYS 8 N -0.37 0.30 -0.98 2.33 1.57 -1.25 -2.66 116.57 115.52 1c2n h LYS 8 Ca 0.09 -0.05 0.14 0.00 -1.87 0.00 0.00 60.65 58.96 1c2n h LYS 8 Cb 0.50 -0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.67 1c2n h LYS 8 CO -0.31 0.33 0.61 1.49 -0.57 0.00 0.00 179.45 181.00 1c2n h GLU 9 N 0.21 0.85 -0.09 3.15 4.22 -0.43 0.11 114.58 122.60 1c2n h GLU 9 Ca 0.07 -0.05 0.03 0.00 0.08 0.00 0.00 59.36 59.49 1c2n h GLU 9 Cb 0.13 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1c2n h GLU 9 CO -0.01 0.56 0.21 0.35 -2.18 0.00 0.00 179.01 177.94 1c2n h PHE 10 N 0.87 0.00 -0.62 0.92 3.57 -0.42 0.12 116.94 121.38 1c2n h PHE 10 Ca 0.50 0.00 0.16 0.00 3.53 0.00 0.00 57.97 62.16 1c2n h PHE 10 Cb 0.63 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 1c2n h PHE 10 CO -0.00 0.00 0.43 -0.97 -2.23 0.00 0.00 178.31 175.54 1c2n h ASN 11 N 0.00 0.12 0.12 0.41 -0.00 -1.04 0.14 115.58 115.33 1c2n h ASN 11 Ca 0.04 0.01 -0.01 0.00 -0.00 0.00 0.00 56.30 56.34 1c2n h ASN 11 Cb 0.46 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.77 1c2n h ASN 11 CO -0.00 0.06 -0.06 0.11 -0.00 0.00 0.00 177.43 177.54 1c2n h LYS 12 N 0.13 -0.16 -0.84 6.67 1.79 -0.95 -3.31 116.57 119.91 1c2n h LYS 12 Ca 0.30 0.01 0.16 0.00 -2.18 0.00 0.00 60.65 58.94 1c2n h LYS 12 Cb 0.99 0.04 -0.10 0.00 -1.58 0.00 0.00 32.23 31.58 1c2n h LYS 12 CO -0.04 0.31 0.40 0.00 -1.08 0.00 0.00 179.45 179.03 1c2n h LYS 14 N 0.54 0.00 -0.83 0.00 3.64 -0.87 0.51 116.57 119.57 1c2n h LYS 14 Ca 0.47 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.97 1c2n h LYS 14 Cb 0.73 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.47 1c2n h LYS 14 CO -0.41 0.00 0.45 1.15 -2.27 0.00 0.00 179.45 178.37 1c2n h THR 15 N 0.00 0.83 0.00 1.00 2.02 -1.10 -3.25 112.91 112.41 1c2n h THR 15 Ca 0.30 -0.24 -0.27 0.00 0.77 0.00 0.00 66.41 66.97 1c2n h THR 15 Cb 1.66 0.06 -0.05 0.00 -1.74 0.00 0.00 68.15 68.09 1c2n h THR 15 CO -0.00 0.13 -1.98 0.00 0.37 0.00 0.00 175.52 174.04 1c2n s HIS 17 N -2.34 3.04 0.01 0.00 3.76 -0.02 -0.54 115.29 119.20 1c2n s HIS 17 Ca -0.23 0.14 -0.00 0.00 -0.15 0.00 0.00 55.06 54.81 1c2n s HIS 17 Cb 0.07 -2.57 -0.01 0.00 1.11 0.00 0.00 32.58 31.17 1c2n s HIS 17 CO 0.38 -0.66 -0.02 -1.12 -0.85 0.00 0.00 174.74 172.47 1c2n s SER 18 N -4.33 0.17 -0.15 1.40 0.01 -1.24 -2.61 113.70 106.95 1c2n s SER 18 Ca 0.53 -0.35 0.01 0.00 1.31 0.00 0.00 55.95 57.45 1c2n s SER 18 Cb -0.10 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.21 1c2n s SER 18 CO 0.39 -0.22 -0.17 -0.63 0.41 0.00 0.00 173.24 173.02 1c2n s ILE 19 N -1.05 2.50 -0.05 1.44 1.01 0.18 -1.58 121.20 123.65 1c2n s ILE 19 Ca -0.12 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 59.75 1c2n s ILE 19 Cb -0.07 -2.05 -0.00 0.00 0.01 0.00 0.00 42.46 40.35 1c2n s ILE 19 CO -0.01 0.52 -0.18 -0.51 0.00 0.00 0.00 174.94 174.76 1c2n s ILE 20 N 0.85 1.55 0.75 2.92 1.10 -1.26 -0.54 121.20 126.56 1c2n s ILE 20 Ca -0.05 -0.77 -0.12 0.00 -0.51 0.00 0.00 60.65 59.20 1c2n s ILE 20 Cb -0.15 -1.34 0.04 0.00 0.15 0.00 0.00 42.46 41.17 1c2n s ILE 20 CO -0.01 0.44 1.11 0.00 -2.11 0.00 0.00 174.94 174.37 1c2n s ALA 21 N 0.13 2.25 0.33 1.50 0.00 0.58 -4.79 121.76 121.75 1c2n s ALA 21 Ca -0.07 0.42 0.07 0.00 0.00 0.00 0.00 51.96 52.39 1c2n s ALA 21 Cb -0.13 -3.31 0.77 0.00 0.00 0.00 0.00 23.12 20.45 1c2n s ALA 21 CO 0.03 -1.70 1.82 -1.35 0.00 0.00 0.00 175.76 174.56 1c2n h PRO 22 N -0.77 0.72 0.00 0.00 0.11 -1.90 0.11 132.00 130.27 1c2n h PRO 22 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1c2n h PRO 22 Cb 1.24 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1c2n h PRO 22 CO 0.51 0.48 0.00 -0.40 -0.21 0.00 0.00 178.00 178.38 1c2n n ASP 23 N -4.66 0.08 0.00 -2.05 5.68 -1.26 -4.91 116.55 109.44 1c2n n ASP 23 Ca 0.21 0.51 0.00 0.00 -0.50 0.00 0.00 54.79 55.01 1c2n n ASP 23 Cb 0.54 -0.53 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 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 0.63 2.65 3.66 6.12 0.00 0.37 -5.06 105.19 113.56 1c2n n GLY 24 Ca 0.05 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.17 0.62 -2.07 2.61 -1.04 -1.26 -4.57 114.28 107.41 1c2n n THR 25 Ca 0.00 -0.16 -0.42 0.00 -2.04 0.00 0.00 64.05 61.43 1c2n n THR 25 Cb 0.00 -2.10 -0.03 0.00 -1.82 0.00 0.00 70.33 66.38 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 4.54 4.24 -0.16 -2.82 2.02 -1.26 -0.31 118.70 124.94 1c2n s GLU 26 Ca 0.93 2.16 -0.21 0.00 0.02 0.00 0.00 54.97 57.86 1c2n s GLU 26 Cb -0.57 -3.54 -0.18 0.00 0.10 0.00 0.00 34.13 29.93 1c2n s GLU 26 CO 0.47 -0.64 0.37 0.82 0.02 0.00 0.00 175.26 176.29 1c2n h ILE 27 N 4.78 1.07 -3.11 -1.63 1.08 -1.15 -3.47 117.51 115.09 1c2n h ILE 27 Ca -0.40 -2.01 -0.18 0.00 -0.39 0.00 0.00 64.86 61.88 1c2n h ILE 27 Cb 1.19 2.23 -0.27 0.00 -3.07 0.00 0.00 36.82 36.90 1c2n h ILE 27 CO 0.91 0.36 -0.46 0.68 -0.69 0.00 0.00 178.15 178.96 1c2n s VAL 28 N -2.21 -0.02 -0.09 1.67 -7.23 -0.69 -4.97 120.40 106.86 1c2n s VAL 28 Ca -0.21 0.06 0.01 0.00 -1.81 0.00 0.00 61.98 60.03 1c2n s VAL 28 Cb 0.01 -0.35 -0.02 0.00 0.56 0.00 0.00 36.38 36.58 1c2n s VAL 28 CO 0.53 0.02 -0.12 -0.75 -0.31 0.00 0.00 175.10 174.47 1c2n s LYS 29 N 0.57 2.94 0.16 4.82 2.20 -1.26 -0.64 119.74 128.52 1c2n s LYS 29 Ca -0.04 -0.66 0.01 0.00 -0.36 0.00 0.00 55.97 54.92 1c2n s LYS 29 Cb -0.05 -2.53 0.01 0.00 -1.51 0.00 0.00 37.83 33.75 1c2n s LYS 29 CO -0.03 0.45 0.11 0.41 -0.36 0.00 0.00 175.35 175.93 1c2n n GLY 30 N 2.84 3.05 1.92 5.54 0.00 -1.07 -4.91 105.19 112.55 1c2n n GLY 30 Ca -0.18 -2.21 -0.12 0.00 0.00 0.00 0.00 46.02 43.51 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 -2.65 5.42 -2.68 4.61 0.00 -0.17 -4.81 120.51 120.22 1c2n n ALA 31 Ca -0.05 -1.48 0.00 0.00 0.00 0.00 0.00 53.44 51.91 1c2n n ALA 31 Cb 0.19 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 1.44 -0.84 -0.04 0.00 3.00 -1.24 -4.77 118.16 115.71 1c2n n LYS 32 Ca 0.29 -0.30 -0.11 0.00 -0.00 0.00 0.00 58.31 58.18 1c2n n LYS 32 Cb 0.65 0.53 -0.14 0.00 0.00 0.00 0.00 35.03 36.07 1c2n n LYS 32 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1c2n n THR 33 N -0.76 1.58 -4.27 3.15 -1.04 0.29 -4.92 114.28 108.32 1c2n n THR 33 Ca 0.00 -0.78 -0.25 0.00 -2.04 0.00 0.00 64.05 60.98 1c2n n THR 33 Cb 0.00 -1.03 -0.08 0.00 -1.82 0.00 0.00 70.33 67.39 1c2n n THR 33 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1c2n s GLY 34 N -5.36 2.24 1.20 3.41 0.00 -0.05 -4.99 107.32 103.77 1c2n s GLY 34 Ca -0.11 -2.07 -0.17 0.00 0.00 0.00 0.00 44.72 42.38 1c2n s GLY 34 CO 0.80 -1.92 1.04 2.56 0.00 0.00 0.00 173.10 175.59 1c2n s PRO 35 N -3.81 -1.17 -0.31 2.90 0.04 -1.26 -4.50 135.00 126.89 1c2n s PRO 35 Ca 0.38 0.33 -0.29 0.00 0.04 0.00 0.00 61.00 61.45 1c2n s PRO 35 Cb 0.03 -1.57 0.01 0.00 0.04 0.00 0.00 34.50 33.01 1c2n s PRO 35 CO 0.21 -3.76 1.21 1.21 0.04 0.00 0.00 177.00 175.91 1c2n s ASN 36 N -3.29 6.77 0.00 6.66 3.04 -1.26 -3.67 114.94 123.20 1c2n s ASN 36 Ca 0.68 1.14 0.18 0.00 0.04 0.00 0.00 52.86 54.91 1c2n s ASN 36 Cb -0.16 -2.54 0.54 0.00 -1.54 0.00 0.00 41.25 37.54 1c2n s ASN 36 CO 0.59 -1.00 1.43 0.18 -3.04 0.00 0.00 177.10 175.25 1c2n n LEU 37 N 7.32 2.29 -4.44 3.21 4.77 -0.62 -4.88 117.00 124.65 1c2n n LEU 37 Ca 0.14 -1.05 -0.48 0.00 -0.03 0.00 0.00 56.01 54.58 1c2n n LEU 37 Cb 0.47 -0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 41.25 1c2n n LEU 37 CO 0.62 0.53 1.90 0.00 -1.33 0.00 0.00 177.39 179.10 1c2n n TYR 38 N 0.73 1.33 -3.64 -1.77 9.36 -1.26 -1.09 117.16 120.82 1c2n n TYR 38 Ca 0.16 0.34 -0.24 0.00 3.32 0.00 0.00 57.90 61.49 1c2n n TYR 38 Cb 0.40 -2.49 0.07 0.00 -0.63 0.00 0.00 39.34 36.69 1c2n n TYR 38 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1c2n n GLY 39 N 6.60 -0.48 0.34 2.98 0.00 -1.26 -4.89 105.19 108.48 1c2n n GLY 39 Ca 0.47 0.20 0.01 0.00 0.00 0.00 0.00 46.02 46.70 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 -2.35 1.18 -1.86 1.61 3.04 -1.38 -3.39 116.25 113.11 1c2n h VAL 40 Ca -0.58 -0.34 -0.62 0.00 -1.01 0.00 0.00 66.70 64.15 1c2n h VAL 40 Cb 1.36 0.17 0.01 0.00 -2.01 0.00 0.00 31.29 30.82 1c2n h VAL 40 CO 0.57 0.18 1.25 0.52 -1.01 0.00 0.00 177.57 179.07 1c2n n VAL 41 N -4.43 0.47 0.00 1.51 0.31 -1.26 -0.38 118.33 114.56 1c2n n VAL 41 Ca 0.07 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1c2n n VAL 41 Cb 0.04 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 30.98 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 5.09 3.19 3.80 2.92 0.00 0.11 -4.88 105.19 115.43 1c2n n GLY 42 Ca 0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.93 4.28 0.14 1.61 6.06 0.49 -4.56 118.95 126.04 1c2n s ARG 43 Ca 0.00 1.24 -0.31 0.00 -2.50 0.00 0.00 55.73 54.15 1c2n s ARG 43 Cb 0.00 -2.37 -0.10 0.00 0.06 0.00 0.00 34.95 32.53 1c2n s ARG 43 CO 0.00 0.00 1.74 0.99 -2.50 0.00 0.00 175.30 175.54 1c2n s THR 44 N -1.96 2.48 0.66 4.11 2.01 -1.26 -1.23 115.64 120.46 1c2n s THR 44 Ca 0.59 0.15 -0.15 0.00 0.31 0.00 0.00 61.69 62.59 1c2n s THR 44 Cb -0.14 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.28 1c2n s THR 44 CO 0.18 0.00 1.12 0.00 -0.69 0.00 0.00 174.62 175.24 1c2n s ALA 45 N 2.13 2.43 -1.88 7.40 0.00 0.17 -3.81 121.76 128.20 1c2n s ALA 45 Ca 0.77 0.59 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1c2n s ALA 45 Cb -0.46 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1c2n s ALA 45 CO 0.34 -1.34 0.00 0.41 0.00 0.00 0.00 175.76 175.17 1c2n n GLY 46 N -0.40 0.21 0.51 0.00 0.00 -1.26 -3.30 105.19 100.96 1c2n n GLY 46 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 1c2n n GLY 46 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1c2n n THR 47 N -3.51 0.00 -2.11 2.61 5.66 -1.25 -4.28 114.28 111.40 1c2n n THR 47 Ca -0.23 -0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.34 1c2n n THR 47 Cb 0.68 0.12 -0.03 0.00 -1.55 0.00 0.00 70.33 69.56 1c2n n THR 47 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1c2n s TYR 48 N 0.00 2.78 1.15 1.09 6.14 -1.26 -4.95 117.35 122.30 1c2n s TYR 48 Ca 0.00 0.67 -0.18 0.00 0.64 0.00 0.00 57.07 58.20 1c2n s TYR 48 Cb 0.00 -3.78 0.17 0.00 0.42 0.00 0.00 41.96 38.77 1c2n s TYR 48 CO -0.00 -2.94 0.25 -2.30 0.64 0.00 0.00 175.55 171.20 1c2n n PRO 49 N 5.16 -2.11 -3.74 4.97 -0.02 -1.26 -4.12 135.00 133.87 1c2n n PRO 49 Ca 0.14 -0.61 -0.27 0.00 -2.02 0.00 0.00 63.50 60.74 1c2n n PRO 49 Cb 0.42 -1.75 0.02 0.00 -0.02 0.00 0.00 33.50 32.17 1c2n n PRO 49 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1c2n n GLU 50 N -2.76 -2.58 -3.55 -0.52 2.13 -1.26 -4.64 120.64 107.47 1c2n n GLU 50 Ca 0.02 0.49 -0.01 0.00 0.66 0.00 0.00 57.16 58.32 1c2n n GLU 50 Cb 0.58 -4.51 -0.05 0.00 0.27 0.00 0.00 31.44 27.73 1c2n n GLU 50 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1c2n s PHE 51 N -3.64 -0.88 -0.72 4.31 5.36 -1.26 -4.81 117.98 116.35 1c2n s PHE 51 Ca 0.25 1.59 -0.25 0.00 -0.96 0.00 0.00 56.93 57.55 1c2n s PHE 51 Cb -0.08 0.53 0.05 0.00 -0.34 0.00 0.00 43.02 43.17 1c2n s PHE 51 CO 0.85 -0.43 1.15 0.21 -1.46 0.00 0.00 175.22 175.54 1c2n s LYS 52 N 2.23 3.17 0.03 10.12 2.47 -1.26 -4.95 119.74 131.56 1c2n s LYS 52 Ca -0.06 -0.52 -0.00 0.00 -1.56 0.00 0.00 55.97 53.83 1c2n s LYS 52 Cb -0.07 -4.24 0.01 0.00 -1.46 0.00 0.00 37.83 32.07 1c2n s LYS 52 CO -0.18 -2.01 0.05 0.66 0.16 0.00 0.00 175.35 174.03 1c2n n TYR 53 N 8.65 -3.74 -3.17 4.03 4.01 -1.26 -5.11 117.16 120.57 1c2n n TYR 53 Ca 0.01 -0.06 -0.20 0.00 -0.16 0.00 0.00 57.90 57.50 1c2n n TYR 53 Cb 0.48 -0.04 0.03 0.00 -0.31 0.00 0.00 39.34 39.50 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 -2.86 2.44 0.11 -0.72 -0.14 -1.26 -5.01 119.74 112.31 1c2n s LYS 54 Ca 0.03 -1.58 -0.15 0.00 -1.36 0.00 0.00 55.97 52.90 1c2n s LYS 54 Cb -0.00 -2.59 -0.04 0.00 -1.68 0.00 0.00 37.83 33.52 1c2n s LYS 54 CO 0.02 -0.64 1.53 -0.44 -0.76 0.00 0.00 175.35 175.06 1c2n h ASP 55 N 0.42 0.67 -0.07 2.83 5.19 -1.94 -1.92 116.42 121.60 1c2n h ASP 55 Ca -0.34 -0.34 -0.04 0.00 -0.62 0.00 0.00 57.03 55.69 1c2n h ASP 55 Cb 1.29 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 40.61 1c2n h ASP 55 CO 0.45 0.85 -0.10 -1.28 -3.12 0.00 0.00 179.24 176.04 1c2n h SER 56 N 0.47 0.21 -0.10 6.45 0.87 -1.92 0.11 113.55 119.64 1c2n h SER 56 Ca 0.10 -0.54 -0.09 0.00 -1.23 0.00 0.00 61.79 60.03 1c2n h SER 56 Cb 0.54 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1c2n h SER 56 CO 0.03 0.70 -0.22 -0.29 -0.53 0.00 0.00 176.83 176.52 1c2n h ILE 57 N -0.28 1.26 -0.39 2.23 2.10 -1.94 0.26 117.51 120.76 1c2n h ILE 57 Ca 0.01 -1.23 -0.01 0.00 1.08 0.00 0.00 64.86 64.71 1c2n h ILE 57 Cb 0.66 1.29 -0.02 0.00 -1.09 0.00 0.00 36.82 37.66 1c2n h ILE 57 CO 0.02 0.39 0.20 0.58 -1.08 0.00 0.00 178.15 178.27 1c2n h VAL 58 N 0.46 1.16 -0.53 2.19 2.07 -1.30 -1.12 116.25 119.19 1c2n h VAL 58 Ca 0.07 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.19 1c2n h VAL 58 Cb 0.64 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 1c2n h VAL 58 CO 0.05 0.17 0.27 0.00 0.02 0.00 0.00 177.57 178.07 1c2n h ALA 59 N 1.05 0.68 -0.27 1.67 0.00 -0.09 0.19 119.26 122.49 1c2n h ALA 59 Ca 0.14 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1c2n h ALA 59 Cb 0.10 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1c2n h ALA 59 CO -0.02 -0.08 0.01 -0.07 0.00 0.00 0.00 179.25 179.09 1c2n h LEU 60 N 0.51 -0.09 -0.20 0.00 3.38 -0.58 0.11 115.31 118.45 1c2n h LEU 60 Ca 0.24 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.32 1c2n h LEU 60 Cb 0.15 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 1c2n h LEU 60 CO -0.17 -0.01 -0.19 1.23 0.09 0.00 0.00 178.44 179.38 1c2n h GLY 61 N 0.09 -0.10 1.04 0.83 0.00 -0.04 -0.19 103.07 104.70 1c2n h GLY 61 Ca 0.13 0.24 0.05 0.00 0.00 0.00 0.00 47.33 47.75 1c2n h GLY 61 CO -0.21 -0.18 0.52 0.00 0.00 0.00 0.00 176.54 176.66 1c2n h ALA 62 N 0.86 1.58 0.00 3.60 0.00 -0.21 0.12 119.26 125.21 1c2n h ALA 62 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1c2n h ALA 62 Cb 0.39 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1c2n h ALA 62 CO -0.32 0.31 0.00 0.45 0.00 0.00 0.00 179.25 179.69 1c2n n SER 63 N -4.47 0.00 -0.06 0.00 2.88 0.36 -4.82 113.62 107.51 1c2n n SER 63 Ca 0.11 -0.90 -0.01 0.00 -1.33 0.00 0.00 58.87 56.74 1c2n n SER 63 Cb 0.17 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.63 1c2n n SER 63 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1c2n n GLY 64 N 0.23 0.39 3.59 0.46 0.00 0.40 -4.98 105.19 105.29 1c2n n GLY 64 Ca 0.09 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.03 2.08 -0.24 1.61 2.19 -0.18 -4.97 117.98 116.45 1c2n s PHE 65 Ca 0.00 0.64 -0.16 0.00 0.33 0.00 0.00 56.93 57.74 1c2n s PHE 65 Cb 0.00 -4.23 -0.04 0.00 -1.31 0.00 0.00 43.02 37.44 1c2n s PHE 65 CO 0.00 -2.38 0.40 0.00 1.83 0.00 0.00 175.22 175.07 1c2n s ALA 66 N 6.44 3.57 0.73 11.12 0.00 -1.26 -0.66 121.76 141.70 1c2n s ALA 66 Ca 0.68 -0.65 -0.16 0.00 0.00 0.00 0.00 51.96 51.83 1c2n s ALA 66 Cb -0.16 -2.70 0.02 0.00 0.00 0.00 0.00 23.12 20.28 1c2n s ALA 66 CO 0.31 -0.50 1.05 0.91 0.00 0.00 0.00 175.76 177.52 1c2n n TRP 67 N 4.96 0.92 -4.33 0.00 5.03 -0.36 -4.81 117.44 118.85 1c2n n TRP 67 Ca -0.08 0.40 -0.17 0.00 3.03 0.00 0.00 57.50 60.68 1c2n n TRP 67 Cb 0.51 -2.11 -0.10 0.00 -1.03 0.00 0.00 31.31 28.58 1c2n n TRP 67 CO 0.00 0.00 0.00 0.95 -0.03 0.00 0.00 177.69 178.61 1c2n s THR 68 N -1.82 0.63 0.17 -0.99 -4.23 -1.26 0.09 115.64 108.22 1c2n s THR 68 Ca 0.74 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 59.11 1c2n s THR 68 Cb -0.34 -2.64 0.05 0.00 1.34 0.00 0.00 72.50 70.91 1c2n s THR 68 CO 0.49 -0.02 1.78 -0.33 -0.54 0.00 0.00 174.62 176.01 1c2n h GLU 69 N 2.37 0.42 -0.14 3.99 5.08 -1.96 0.04 114.58 124.37 1c2n h GLU 69 Ca -0.38 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 57.93 1c2n h GLU 69 Cb 1.25 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1c2n h GLU 69 CO 0.62 0.28 0.00 1.05 -1.00 0.00 0.00 179.01 179.96 1c2n h GLU 70 N 0.43 0.25 -0.05 2.33 4.11 -1.97 0.11 114.58 119.79 1c2n h GLU 70 Ca 0.19 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.55 1c2n h GLU 70 Cb 0.10 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1c2n h GLU 70 CO -0.14 0.48 0.01 -0.44 0.07 0.00 0.00 179.01 178.99 1c2n h ASP 71 N -0.01 0.01 0.09 3.06 3.32 -1.89 0.02 116.42 121.02 1c2n h ASP 71 Ca 0.04 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1c2n h ASP 71 Cb 0.36 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1c2n h ASP 71 CO 0.01 0.01 -0.04 0.40 -1.72 0.00 0.00 179.24 177.90 1c2n h ILE 72 N 0.04 0.94 -0.98 0.35 2.04 -0.95 0.11 117.51 119.05 1c2n h ILE 72 Ca 0.02 -0.10 0.20 0.00 1.00 0.00 0.00 64.86 65.98 1c2n h ILE 72 Cb 0.01 1.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.00 1c2n h ILE 72 CO -0.03 0.02 0.62 0.00 0.00 0.00 0.00 178.15 178.76 1c2n h ALA 73 N 0.74 1.86 0.28 1.87 0.00 -0.47 0.01 119.26 123.54 1c2n h ALA 73 Ca -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1c2n h ALA 73 Cb 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1c2n h ALA 73 CO 0.02 -0.21 -0.13 1.15 0.00 0.00 0.00 179.25 180.08 1c2n h THR 74 N 0.65 0.26 -0.83 0.00 2.02 -0.59 -3.37 112.91 111.06 1c2n h THR 74 Ca 0.55 -0.83 0.20 0.00 0.77 0.00 0.00 66.41 67.10 1c2n h THR 74 Cb 1.01 0.45 -0.15 0.00 -1.74 0.00 0.00 68.15 67.72 1c2n h THR 74 CO -0.31 0.07 0.02 0.22 0.37 0.00 0.00 175.52 175.89 1c2n h TYR 75 N -1.04 -0.04 -0.88 3.16 3.20 -0.00 0.40 116.97 121.77 1c2n h TYR 75 Ca -0.04 0.06 0.16 0.00 3.14 0.00 0.00 58.73 62.05 1c2n h TYR 75 Cb 0.40 0.15 -0.07 0.00 1.54 0.00 0.00 36.73 38.75 1c2n h TYR 75 CO 0.03 -0.29 0.57 -0.39 -1.64 0.00 0.00 178.16 176.44 1c2n h VAL 76 N 0.09 0.78 -0.19 1.81 -1.51 -1.17 0.12 116.25 116.17 1c2n h VAL 76 Ca 0.47 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.74 1c2n h VAL 76 Cb 0.87 0.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.17 1c2n h VAL 76 CO -0.74 0.11 0.00 2.29 -1.23 0.00 0.00 177.57 178.00 1c2n n LYS 77 N -4.55 2.40 -2.97 5.19 2.85 0.00 -0.64 118.16 120.45 1c2n n LYS 77 Ca 0.18 -2.09 -0.14 0.00 -1.05 0.00 0.00 58.31 55.20 1c2n n LYS 77 Cb 0.54 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 33.44 1c2n n LYS 77 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1c2n n ASP 78 N 1.42 0.66 -4.77 -5.58 8.00 0.32 -4.90 116.55 111.71 1c2n n ASP 78 Ca 0.16 -2.95 -0.41 0.00 0.71 0.00 0.00 54.79 52.31 1c2n n ASP 78 Cb 0.60 -0.33 -0.01 0.00 -0.02 0.00 0.00 41.12 41.36 1c2n n ASP 78 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1c2n s PRO 79 N -2.33 4.24 0.00 -0.24 0.04 -0.69 -1.27 135.00 134.75 1c2n s PRO 79 Ca 0.34 2.38 0.00 0.00 0.04 0.00 0.00 61.00 63.75 1c2n s PRO 79 Cb 0.38 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1c2n s PRO 79 CO -0.04 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.04 1c2n n GLY 80 N 0.97 1.17 0.31 0.56 0.00 -1.26 -4.53 105.19 102.41 1c2n n GLY 80 Ca 0.02 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 1.17 -0.46 4.61 0.00 -1.80 0.30 119.26 123.07 1c2n h ALA 81 Ca 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1c2n h ALA 81 Cb 0.00 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1c2n h ALA 81 CO 0.00 -0.49 0.23 0.35 0.00 0.00 0.00 179.25 179.35 1c2n h PHE 82 N 0.14 0.65 0.11 0.00 3.57 -1.42 0.77 116.94 120.76 1c2n h PHE 82 Ca 0.54 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 62.01 1c2n h PHE 82 Cb 1.08 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.61 1c2n h PHE 82 CO -0.34 0.51 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.13 1c2n h LEU 83 N 0.61 -0.12 -0.22 0.59 3.38 -0.79 -0.50 115.31 118.25 1c2n h LEU 83 Ca 0.16 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.15 1c2n h LEU 83 Cb 0.09 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1c2n h LEU 83 CO -0.02 -0.04 -0.20 0.11 0.09 0.00 0.00 178.44 178.38 1c2n h LYS 84 N -0.19 -0.20 0.07 1.13 1.57 -0.67 0.17 116.57 118.46 1c2n h LYS 84 Ca -0.01 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1c2n h LYS 84 Cb 0.15 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1c2n h LYS 84 CO 0.02 -0.13 -0.20 1.49 -0.57 0.00 0.00 179.45 180.06 1c2n h GLU 85 N -0.20 -0.35 0.14 3.15 4.57 -0.67 0.29 114.58 121.50 1c2n h GLU 85 Ca 0.13 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1c2n h GLU 85 Cb 0.40 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1c2n h GLU 85 CO -0.34 -0.24 -0.07 0.87 -1.18 0.00 0.00 179.01 178.06 1c2n h LYS 86 N -0.37 -0.18 0.00 1.92 1.79 -0.73 -3.30 116.57 115.70 1c2n h LYS 86 Ca 0.04 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1c2n h LYS 86 Cb 0.41 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1c2n h LYS 86 CO -0.14 0.15 -0.05 1.25 -1.08 0.00 0.00 179.45 179.58 1c2n h LEU 87 N -0.54 0.00 -2.11 2.94 5.85 -0.66 -3.48 115.31 117.30 1c2n h LEU 87 Ca -0.02 -0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.34 1c2n h LEU 87 Cb 0.42 0.00 0.12 0.00 0.37 0.00 0.00 40.66 41.57 1c2n h LEU 87 CO 0.03 0.00 -0.84 -0.67 -0.34 0.00 0.00 178.44 176.63 1c2n n ASP 88 N -2.85 -3.29 -3.88 1.25 2.03 0.10 -5.02 116.55 104.89 1c2n n ASP 88 Ca 0.04 -0.77 -0.20 0.00 0.52 0.00 0.00 54.79 54.38 1c2n n ASP 88 Cb 0.50 -4.51 -0.16 0.00 -0.72 0.00 0.00 41.12 36.23 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 -4.00 1.06 0.32 1.67 2.15 -1.21 -5.03 116.67 111.63 1c2n s ASP 89 Ca 0.18 -0.13 0.00 0.00 0.43 0.00 0.00 52.55 53.03 1c2n s ASP 89 Cb -0.04 -0.47 0.53 0.00 -0.30 0.00 0.00 42.92 42.65 1c2n s ASP 89 CO 0.78 -0.07 1.98 0.50 -0.17 0.00 0.00 175.17 178.19 1c2n h LYS 90 N 7.32 0.95 -0.61 4.34 1.63 -1.95 -2.53 116.57 125.71 1c2n h LYS 90 Ca -0.36 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 1c2n h LYS 90 Cb 1.15 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 32.57 1c2n h LYS 90 CO 0.45 0.64 0.00 1.63 -3.45 0.00 0.00 179.45 178.72 1c2n n LYS 91 N -4.42 1.87 -1.73 1.90 4.76 -1.26 -4.61 118.16 114.67 1c2n n LYS 91 Ca 0.08 -0.85 -0.41 0.00 -2.87 0.00 0.00 58.31 54.26 1c2n n LYS 91 Cb 0.04 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.73 1c2n n LYS 91 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1c2n n ALA 92 N 0.16 6.33 -2.71 7.82 0.00 -0.95 -4.80 120.51 126.36 1c2n n ALA 92 Ca 0.08 -3.87 -0.43 0.00 0.00 0.00 0.00 53.44 49.22 1c2n n ALA 92 Cb 0.38 -3.30 -0.10 0.00 0.00 0.00 0.00 19.45 16.44 1c2n n ALA 92 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1c2n s LYS 93 N 1.84 2.91 0.78 0.00 1.02 -1.26 -4.06 119.74 120.97 1c2n s LYS 93 Ca 0.54 -1.16 -0.13 0.00 0.02 0.00 0.00 55.97 55.24 1c2n s LYS 93 Cb 0.15 -3.96 0.07 0.00 -0.52 0.00 0.00 37.83 33.57 1c2n s LYS 93 CO -0.07 -0.84 1.17 -0.08 -0.92 0.00 0.00 175.35 174.62 1c2n s THR 94 N 1.62 2.40 0.01 2.17 -1.32 -1.26 -4.93 115.64 114.34 1c2n s THR 94 Ca 0.04 0.17 0.27 0.00 -1.21 0.00 0.00 61.69 60.97 1c2n s THR 94 Cb -0.21 -2.58 0.31 0.00 -1.51 0.00 0.00 72.50 68.51 1c2n s THR 94 CO 0.08 -0.13 1.84 1.23 -2.21 0.00 0.00 174.62 175.42 1c2n h GLY 95 N -0.80 0.00 -7.39 6.08 0.00 -1.99 -3.42 103.07 95.56 1c2n h GLY 95 Ca -0.46 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 46.57 1c2n h GLY 95 CO 0.48 0.00 0.92 -0.29 0.00 0.00 0.00 176.54 177.65 1c2n s MET 96 N -3.55 2.39 -1.19 4.80 -2.45 -1.26 -4.82 119.30 113.21 1c2n s MET 96 Ca 0.02 -0.94 -0.09 0.00 -1.25 0.00 0.00 55.69 53.43 1c2n s MET 96 Cb 0.09 -5.19 -0.14 0.00 1.25 0.00 0.00 34.83 30.84 1c2n s MET 96 CO 0.61 -4.01 3.14 0.00 1.05 0.00 0.00 175.02 175.81 1c2n n ALA 97 N 14.79 7.26 -3.56 4.11 0.00 -1.26 -4.72 120.51 137.13 1c2n n ALA 97 Ca 0.44 -3.07 -0.15 0.00 0.00 0.00 0.00 53.44 50.66 1c2n n ALA 97 Cb 0.47 -3.10 -0.06 0.00 0.00 0.00 0.00 19.45 16.76 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 1.86 -0.58 0.14 0.00 5.36 -1.26 -5.19 117.98 118.31 1c2n s PHE 98 Ca 0.69 1.08 -0.04 0.00 -0.96 0.00 0.00 56.93 57.70 1c2n s PHE 98 Cb 0.22 0.40 -0.03 0.00 -0.34 0.00 0.00 43.02 43.27 1c2n s PHE 98 CO -0.04 -0.48 0.13 -1.59 -1.46 0.00 0.00 175.22 171.77 1c2n s LYS 99 N -0.89 0.98 -0.24 10.12 -2.85 -1.26 -4.74 119.74 120.86 1c2n s LYS 99 Ca -0.06 -1.33 -0.01 0.00 -1.00 0.00 0.00 55.97 53.57 1c2n s LYS 99 Cb -0.01 0.29 0.03 0.00 -2.06 0.00 0.00 37.83 36.07 1c2n s LYS 99 CO 0.05 -0.30 -0.09 -1.17 0.10 0.00 0.00 175.35 173.94 1c2n s LEU 100 N -3.01 3.04 -0.84 2.77 2.96 0.19 -5.00 118.68 118.80 1c2n s LEU 100 Ca 0.21 -0.88 -0.07 0.00 -0.22 0.00 0.00 54.13 53.17 1c2n s LEU 100 Cb 0.06 -1.63 -0.12 0.00 0.50 0.00 0.00 46.19 45.00 1c2n s LEU 100 CO 0.00 -0.11 3.14 0.00 -1.32 0.00 0.00 176.35 178.07 1c2n n ALA 101 N 4.64 6.91 -2.33 5.97 0.00 -1.26 -3.89 120.51 130.54 1c2n n ALA 101 Ca -0.17 -2.88 -0.17 0.00 0.00 0.00 0.00 53.44 50.22 1c2n n ALA 101 Cb 0.47 -2.77 -0.10 0.00 0.00 0.00 0.00 19.45 17.05 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 0.94 1.40 0.61 0.00 -0.14 -1.26 -5.04 119.74 116.24 1c2n s LYS 102 Ca 0.66 -1.74 0.40 0.00 -1.36 0.00 0.00 55.97 53.94 1c2n s LYS 102 Cb 0.26 -0.47 2.11 0.00 -1.68 0.00 0.00 37.83 38.05 1c2n s LYS 102 CO -0.06 -0.20 2.23 0.78 -0.76 0.00 0.00 175.35 177.34 1c2n h GLY 103 N 2.40 0.00 0.00 -3.33 0.00 -1.91 -3.44 103.07 96.79 1c2n h GLY 103 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1c2n h GLY 103 CO 0.64 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.79 1c2n n GLY 104 N -0.87 0.93 0.33 4.60 0.00 -1.26 -4.76 105.19 104.16 1c2n n GLY 104 Ca -0.02 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.20 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 0.04 -0.39 1.61 4.11 -1.89 0.25 114.58 118.31 1c2n h GLU 105 Ca 0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1c2n h GLU 105 Cb 0.00 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1c2n h GLU 105 CO 0.00 0.03 0.20 0.38 0.07 0.00 0.00 179.01 179.68 1c2n h ASP 106 N 0.04 0.50 -0.30 3.06 2.03 -1.85 0.14 116.42 120.04 1c2n h ASP 106 Ca 0.67 -0.12 -0.05 0.00 -0.73 0.00 0.00 57.03 56.81 1c2n h ASP 106 Cb 1.53 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 39.89 1c2n h ASP 106 CO -0.83 0.48 -0.01 0.58 -1.03 0.00 0.00 179.24 178.43 1c2n h VAL 107 N 0.49 1.26 -0.62 4.15 2.07 -0.92 -0.65 116.25 122.03 1c2n h VAL 107 Ca 0.13 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.72 1c2n h VAL 107 Cb 0.10 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1c2n h VAL 107 CO -0.02 0.31 0.39 0.00 0.02 0.00 0.00 177.57 178.27 1c2n h ALA 108 N 0.83 0.81 -0.52 1.67 0.00 -0.67 0.56 119.26 121.94 1c2n h ALA 108 Ca 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1c2n h ALA 108 Cb 0.45 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1c2n h ALA 108 CO 0.02 0.15 0.27 0.00 0.00 0.00 0.00 179.25 179.69 1c2n h ALA 109 N 1.26 0.66 0.13 0.00 0.00 -0.43 0.18 119.26 121.06 1c2n h ALA 109 Ca 0.25 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1c2n h ALA 109 Cb -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1c2n h ALA 109 CO -0.09 0.20 -0.15 -0.92 0.00 0.00 0.00 179.25 178.29 1c2n h TYR 110 N 0.69 -0.39 -0.80 0.00 3.20 -0.42 -0.80 116.97 118.45 1c2n h TYR 110 Ca 0.18 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.11 1c2n h TYR 110 Cb 0.07 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.44 1c2n h TYR 110 CO -0.01 -0.23 0.49 -0.07 -1.64 0.00 0.00 178.16 176.70 1c2n h LEU 111 N -0.32 0.77 -0.89 2.82 3.38 -0.57 0.32 115.31 120.82 1c2n h LEU 111 Ca 0.01 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.09 1c2n h LEU 111 Cb 0.31 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 1c2n h LEU 111 CO -0.05 0.50 0.54 0.00 0.09 0.00 0.00 178.44 179.51 1c2n h ALA 112 N 1.38 1.29 -0.00 1.53 0.00 -0.29 0.68 119.26 123.85 1c2n h ALA 112 Ca 0.35 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1c2n h ALA 112 Cb 0.15 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1c2n h ALA 112 CO -0.17 0.19 -0.16 0.77 0.00 0.00 0.00 179.25 179.88 1c2n h SER 113 N 0.91 0.00 0.64 0.00 0.02 0.53 -1.94 113.55 113.72 1c2n h SER 113 Ca 0.42 -0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.24 1c2n h SER 113 Cb 0.35 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1c2n h SER 113 CO -0.24 0.16 -0.64 0.58 -1.14 0.00 0.00 176.83 175.56 1c2n h VAL 114 N 0.00 1.46 -0.61 2.27 2.07 -0.29 -3.45 116.25 117.70 1c2n h VAL 114 Ca -0.00 -2.20 -0.46 0.00 0.82 0.00 0.00 66.70 64.86 1c2n h VAL 114 Cb 0.28 2.19 -0.05 0.00 -1.52 0.00 0.00 31.29 32.19 1c2n h VAL 114 CO 0.02 0.63 1.67 0.52 0.02 0.00 0.00 177.57 180.42 1c2n n VAL 115 N -3.77 -0.03 -1.75 2.57 0.31 -0.73 -4.39 118.33 110.54 1c2n n VAL 115 Ca -0.01 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1c2n n VAL 115 Cb 0.63 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 1c2n n VAL 115 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80