#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 2.82 -0.34 1.61 9.92 -1.26 -4.76 116.55 124.53 1c2n n ASP 2 Ca 0.00 -2.65 0.18 0.00 -0.53 0.00 0.00 54.79 51.79 1c2n n ASP 2 Cb 0.00 -1.13 0.39 0.00 -0.64 0.00 0.00 41.12 39.74 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 7.65 1.80 -0.71 2.24 0.00 -1.87 0.25 119.26 128.61 1c2n h ALA 3 Ca 0.44 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.54 1c2n h ALA 3 Cb 0.61 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 1c2n h ALA 3 CO 1.91 -0.30 0.40 0.00 0.00 0.00 0.00 179.25 181.26 1c2n h ALA 4 N 1.74 0.97 -0.24 0.00 0.00 -1.88 0.15 119.26 120.01 1c2n h ALA 4 Ca 0.65 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 55.41 1c2n h ALA 4 Cb 1.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1c2n h ALA 4 CO -0.49 0.07 -0.54 0.87 0.00 0.00 0.00 179.25 179.16 1c2n h LYS 5 N 0.72 0.78 -0.79 0.00 1.79 -0.95 -3.24 116.57 114.89 1c2n h LYS 5 Ca 0.32 -0.53 0.16 0.00 -2.18 0.00 0.00 60.65 58.43 1c2n h LYS 5 Cb 0.22 0.07 -0.10 0.00 -1.58 0.00 0.00 32.23 30.84 1c2n h LYS 5 CO -0.20 1.15 0.31 0.78 -1.08 0.00 0.00 179.45 180.42 1c2n h GLY 6 N 0.53 1.22 0.15 3.86 0.00 0.37 0.12 103.07 109.33 1c2n h GLY 6 Ca -0.00 -0.14 0.06 0.00 0.00 0.00 0.00 47.33 47.25 1c2n h GLY 6 CO 0.12 -0.14 -0.25 0.83 0.00 0.00 0.00 176.54 177.09 1c2n h GLU 7 N 0.42 -0.26 -0.23 4.80 5.08 -0.78 0.12 114.58 123.73 1c2n h GLU 7 Ca 0.45 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.80 1c2n h GLU 7 Cb 0.73 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1c2n h GLU 7 CO -0.44 -0.18 0.03 0.87 -1.00 0.00 0.00 179.01 178.29 1c2n h LYS 8 N -0.27 0.38 -1.00 2.33 1.57 -1.16 -2.88 116.57 115.54 1c2n h LYS 8 Ca 0.13 -0.10 0.14 0.00 -1.87 0.00 0.00 60.65 58.95 1c2n h LYS 8 Cb 0.47 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.65 1c2n h LYS 8 CO -0.38 0.53 0.62 1.49 -0.57 0.00 0.00 179.45 181.14 1c2n h GLU 9 N 0.18 0.89 0.00 3.15 4.22 -0.42 0.13 114.58 122.72 1c2n h GLU 9 Ca 0.07 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.45 1c2n h GLU 9 Cb 0.33 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1c2n h GLU 9 CO 0.01 0.59 0.11 0.35 -2.18 0.00 0.00 179.01 177.88 1c2n h PHE 10 N 0.91 0.00 -0.44 0.92 3.57 -0.54 0.81 116.94 122.17 1c2n h PHE 10 Ca 0.52 0.00 0.11 0.00 3.53 0.00 0.00 57.97 62.13 1c2n h PHE 10 Cb 0.62 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1c2n h PHE 10 CO -0.00 0.00 0.31 -0.97 -2.23 0.00 0.00 178.31 175.42 1c2n h ASN 11 N 0.00 0.08 0.23 0.41 -0.00 -1.05 0.10 115.58 115.35 1c2n h ASN 11 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.29 1c2n h ASN 11 Cb 0.23 -0.01 0.00 0.00 -0.00 0.00 0.00 38.32 38.54 1c2n h ASN 11 CO 0.00 0.04 -0.11 0.11 -0.00 0.00 0.00 177.43 177.47 1c2n h LYS 12 N 0.08 -0.30 -0.95 6.67 1.79 -1.02 -3.31 116.57 119.53 1c2n h LYS 12 Ca 0.21 0.02 0.20 0.00 -2.18 0.00 0.00 60.65 58.90 1c2n h LYS 12 Cb 0.72 0.07 -0.11 0.00 -1.58 0.00 0.00 32.23 31.33 1c2n h LYS 12 CO -0.02 0.07 0.53 0.00 -1.08 0.00 0.00 179.45 178.95 1c2n h LYS 14 N 0.63 0.08 -0.31 0.00 3.64 -0.93 0.16 116.57 119.83 1c2n h LYS 14 Ca 0.57 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 60.03 1c2n h LYS 14 Cb 0.95 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1c2n h LYS 14 CO -0.43 0.05 0.24 1.15 -2.27 0.00 0.00 179.45 178.20 1c2n h THR 15 N 0.08 0.74 0.00 1.00 2.02 -1.19 -0.39 112.91 115.18 1c2n h THR 15 Ca 0.63 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.81 1c2n h THR 15 Cb 2.31 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 1c2n h THR 15 CO -0.09 0.00 -0.92 0.00 0.37 0.00 0.00 175.52 174.88 1c2n s HIS 17 N -1.92 2.78 0.17 0.00 3.76 0.31 -0.12 115.29 120.27 1c2n s HIS 17 Ca 0.00 -0.43 -0.00 0.00 -0.15 0.00 0.00 55.06 54.48 1c2n s HIS 17 Cb 0.00 -2.11 -0.04 0.00 1.11 0.00 0.00 32.58 31.54 1c2n s HIS 17 CO 0.00 -0.09 0.07 -1.54 -0.85 0.00 0.00 174.74 172.33 1c2n s SER 18 N -4.13 0.59 -0.12 1.40 1.04 -1.12 -3.04 113.70 108.31 1c2n s SER 18 Ca 0.47 -1.27 -0.03 0.00 0.48 0.00 0.00 55.95 55.61 1c2n s SER 18 Cb -0.05 0.26 0.05 0.00 0.10 0.00 0.00 66.02 66.38 1c2n s SER 18 CO 0.28 -0.72 0.06 -0.63 0.98 0.00 0.00 173.24 173.21 1c2n s ILE 19 N -3.95 0.08 -0.12 -1.02 1.01 -0.38 -1.81 121.20 115.02 1c2n s ILE 19 Ca 0.29 -0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.91 1c2n s ILE 19 Cb 0.07 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.99 1c2n s ILE 19 CO 0.06 -0.06 -0.05 -0.51 0.00 0.00 0.00 174.94 174.38 1c2n s ILE 20 N 2.08 3.79 0.77 2.92 1.10 -1.26 -0.70 121.20 129.89 1c2n s ILE 20 Ca 0.03 -0.42 -0.11 0.00 -0.51 0.00 0.00 60.65 59.64 1c2n s ILE 20 Cb -0.14 -2.61 0.06 0.00 0.15 0.00 0.00 42.46 39.91 1c2n s ILE 20 CO -0.07 0.54 1.09 0.00 -2.11 0.00 0.00 174.94 174.40 1c2n s ALA 21 N -0.17 2.26 0.28 1.50 0.00 0.59 -4.81 121.76 121.42 1c2n s ALA 21 Ca 0.03 0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.28 1c2n s ALA 21 Cb -0.13 -3.27 0.63 0.00 0.00 0.00 0.00 23.12 20.35 1c2n s ALA 21 CO 0.03 -1.76 1.78 -1.35 0.00 0.00 0.00 175.76 174.46 1c2n h PRO 22 N -1.11 0.73 0.00 0.00 0.11 -1.88 0.87 132.00 130.72 1c2n h PRO 22 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1c2n h PRO 22 Cb 1.23 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1c2n h PRO 22 CO 0.51 0.49 0.00 -0.40 -0.21 0.00 0.00 178.00 178.39 1c2n n ASP 23 N -4.78 0.00 0.00 -2.05 5.68 -1.26 -4.91 116.55 109.23 1c2n n ASP 23 Ca 0.20 0.25 0.00 0.00 -0.50 0.00 0.00 54.79 54.75 1c2n n ASP 23 Cb 0.48 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 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 0.77 2.41 3.67 6.12 0.00 0.30 -5.05 105.19 113.41 1c2n n GLY 24 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.51 0.59 -2.02 2.61 -1.04 -1.26 -4.57 114.28 107.09 1c2n n THR 25 Ca 0.00 -0.11 -0.43 0.00 -2.04 0.00 0.00 64.05 61.48 1c2n n THR 25 Cb 0.00 -2.14 -0.03 0.00 -1.82 0.00 0.00 70.33 66.34 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 3.78 3.65 -0.13 -2.82 2.02 -1.26 -0.30 118.70 123.64 1c2n s GLU 26 Ca 0.88 1.68 -0.28 0.00 0.02 0.00 0.00 54.97 57.27 1c2n s GLU 26 Cb -0.51 -4.11 -0.25 0.00 0.10 0.00 0.00 34.13 29.36 1c2n s GLU 26 CO 0.43 -1.48 0.78 0.82 0.02 0.00 0.00 175.26 175.83 1c2n h ILE 27 N 6.36 1.71 -3.49 -1.63 1.08 -1.24 -3.41 117.51 116.88 1c2n h ILE 27 Ca -0.35 -2.21 -0.63 0.00 -0.39 0.00 0.00 64.86 61.27 1c2n h ILE 27 Cb 1.17 3.19 -0.40 0.00 -3.07 0.00 0.00 36.82 37.71 1c2n h ILE 27 CO 1.00 0.57 -0.73 -0.69 -0.69 0.00 0.00 178.15 177.61 1c2n s VAL 28 N -2.35 1.79 -0.80 1.67 1.01 0.02 -4.96 120.40 116.78 1c2n s VAL 28 Ca -0.18 -2.05 -0.06 0.00 0.00 0.00 0.00 61.98 59.69 1c2n s VAL 28 Cb -0.03 -2.33 -0.11 0.00 0.00 0.00 0.00 36.38 33.92 1c2n s VAL 28 CO 0.67 -0.64 2.54 2.29 0.00 0.00 0.00 175.10 179.96 1c2n n LYS 29 N 4.42 2.29 -2.39 2.72 0.00 -1.26 -1.25 118.16 122.69 1c2n n LYS 29 Ca 0.02 -1.41 -0.22 0.00 -0.00 0.00 0.00 58.31 56.70 1c2n n LYS 29 Cb 0.42 -2.35 0.12 0.00 -0.00 0.00 0.00 35.03 33.22 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 3.35 0.51 3.63 2.58 0.00 -1.26 -5.06 105.19 108.95 1c2n n GLY 30 Ca 0.49 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 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 -3.21 0.72 -0.20 4.61 0.00 -0.15 -4.53 121.76 119.00 1c2n s ALA 31 Ca 0.62 -0.68 0.13 0.00 0.00 0.00 0.00 51.96 52.03 1c2n s ALA 31 Cb -0.03 -2.99 0.41 0.00 0.00 0.00 0.00 23.12 20.50 1c2n s ALA 31 CO 0.42 -3.27 1.25 1.63 0.00 0.00 0.00 175.76 175.79 1c2n n LYS 32 N -4.51 1.62 -0.18 0.00 4.76 -1.17 -2.80 118.16 115.89 1c2n n LYS 32 Ca 0.09 -3.08 -0.09 0.00 -2.87 0.00 0.00 58.31 52.36 1c2n n LYS 32 Cb 0.58 -1.63 0.01 0.00 -1.84 0.00 0.00 35.03 32.15 1c2n n LYS 32 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1c2n h THR 33 N 0.79 1.26 -1.17 -0.18 2.02 -0.84 -3.43 112.91 111.35 1c2n h THR 33 Ca 0.04 -0.98 -0.50 0.00 0.77 0.00 0.00 66.41 65.73 1c2n h THR 33 Cb 1.13 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 1c2n h THR 33 CO 0.08 0.35 -0.29 -0.83 0.37 0.00 0.00 175.52 175.19 1c2n s GLY 34 N -3.35 2.08 1.00 2.16 0.00 0.22 -5.01 107.32 104.42 1c2n s GLY 34 Ca -0.12 -1.77 -0.17 0.00 0.00 0.00 0.00 44.72 42.65 1c2n s GLY 34 CO 0.81 -1.72 0.69 -1.55 0.00 0.00 0.00 173.10 171.34 1c2n n PRO 35 N -1.77 -3.52 -3.41 2.90 -0.04 -1.26 -4.60 135.00 123.31 1c2n n PRO 35 Ca 0.05 -1.13 -0.44 0.00 -0.04 0.00 0.00 63.50 61.94 1c2n n PRO 35 Cb 0.62 -1.30 -0.08 0.00 -0.04 0.00 0.00 33.50 32.70 1c2n n PRO 35 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1c2n s ASN 36 N -3.11 6.10 0.00 3.54 3.84 -1.26 -3.71 114.94 120.33 1c2n s ASN 36 Ca 0.49 -1.36 0.00 0.00 0.21 0.00 0.00 52.86 52.20 1c2n s ASN 36 Cb -0.07 -2.16 0.00 0.00 -0.55 0.00 0.00 41.25 38.46 1c2n s ASN 36 CO 0.40 -0.64 0.22 0.18 -2.79 0.00 0.00 177.10 174.47 1c2n n LEU 37 N 5.17 0.11 -4.58 3.21 4.32 -0.75 -4.59 117.00 119.90 1c2n n LEU 37 Ca -0.12 -0.06 -0.30 0.00 -0.02 0.00 0.00 56.01 55.51 1c2n n LEU 37 Cb 0.43 -0.06 -0.05 0.00 -1.62 0.00 0.00 43.42 42.13 1c2n n LEU 37 CO 0.47 0.03 1.54 -0.47 -1.22 0.00 0.00 177.39 177.73 1c2n s TYR 38 N -1.60 2.04 0.00 -1.77 5.04 -1.26 -3.50 117.35 116.31 1c2n s TYR 38 Ca 0.00 0.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.86 1c2n s TYR 38 Cb 0.00 -4.10 0.00 0.00 0.35 0.00 0.00 41.96 38.21 1c2n s TYR 38 CO 0.00 -1.35 0.00 0.41 -1.34 0.00 0.00 175.55 173.27 1c2n n GLY 39 N 5.91 0.66 0.16 8.97 0.00 -1.26 -4.95 105.19 114.68 1c2n n GLY 39 Ca 0.44 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1c2n n GLY 39 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1c2n h VAL 40 N 0.00 1.35 -1.82 1.61 2.07 -1.87 -3.42 116.25 114.17 1c2n h VAL 40 Ca 0.00 -2.31 -0.66 0.00 0.82 0.00 0.00 66.70 64.55 1c2n h VAL 40 Cb 0.00 2.67 0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1c2n h VAL 40 CO 0.00 0.69 1.06 0.52 0.02 0.00 0.00 177.57 179.86 1c2n n VAL 41 N -3.97 0.47 0.00 2.57 0.31 -1.26 -0.19 118.33 116.26 1c2n n VAL 41 Ca -0.12 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1c2n n VAL 41 Cb 0.85 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.13 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 4.47 3.09 3.77 2.92 0.00 0.72 -4.99 105.19 115.18 1c2n n GLY 42 Ca 0.25 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 -0.86 4.31 -0.88 1.61 3.52 0.74 -4.44 118.95 122.94 1c2n s ARG 43 Ca 0.00 2.28 -0.21 0.00 -0.13 0.00 0.00 55.73 57.67 1c2n s ARG 43 Cb 0.00 -3.07 -0.13 0.00 -1.56 0.00 0.00 34.95 30.19 1c2n s ARG 43 CO 0.00 -0.28 1.96 2.41 -0.81 0.00 0.00 175.30 178.58 1c2n n THR 44 N 1.09 2.04 -4.52 4.11 -1.04 -1.26 -0.68 114.28 114.02 1c2n n THR 44 Ca 0.02 -1.81 0.00 0.00 -2.04 0.00 0.00 64.05 60.22 1c2n n THR 44 Cb 0.41 -2.34 0.00 0.00 -1.82 0.00 0.00 70.33 66.58 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 7.80 0.00 -1.94 2.41 0.00 -1.21 -4.20 120.51 123.37 1c2n n ALA 45 Ca 0.50 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.69 1c2n n ALA 45 Cb 0.41 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.79 1c2n n ALA 45 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1c2n s GLY 46 N -1.23 -0.15 -0.30 0.00 0.00 -1.25 -4.55 107.32 99.84 1c2n s GLY 46 Ca 0.00 -1.77 0.19 0.00 0.00 0.00 0.00 44.72 43.14 1c2n s GLY 46 CO 0.00 3.73 1.26 -0.37 0.00 0.00 0.00 173.10 177.72 1c2n n THR 47 N 8.13 0.78 -2.96 0.90 5.66 -1.26 -4.71 114.28 120.82 1c2n n THR 47 Ca 0.43 -2.23 -0.40 0.00 -3.05 0.00 0.00 64.05 58.80 1c2n n THR 47 Cb 0.46 1.15 -0.04 0.00 -1.55 0.00 0.00 70.33 70.36 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 -2.29 3.57 0.79 1.09 6.14 -1.26 -4.95 117.35 120.44 1c2n s TYR 48 Ca 0.21 1.33 -0.15 0.00 0.64 0.00 0.00 57.07 59.11 1c2n s TYR 48 Cb 0.38 -2.90 0.03 0.00 0.42 0.00 0.00 41.96 39.89 1c2n s TYR 48 CO -0.07 0.01 0.88 -0.35 0.64 0.00 0.00 175.55 176.66 1c2n n PRO 49 N 4.05 0.22 -3.52 4.97 -0.04 -1.26 -3.84 135.00 135.58 1c2n n PRO 49 Ca 0.01 0.14 -0.23 0.00 -0.04 0.00 0.00 63.50 63.37 1c2n n PRO 49 Cb 0.51 -2.16 0.05 0.00 -0.04 0.00 0.00 33.50 31.86 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 -2.12 -2.39 -3.61 0.54 -0.58 -1.26 -4.87 120.64 106.35 1c2n n GLU 50 Ca 0.12 0.65 -0.02 0.00 -0.42 0.00 0.00 57.16 57.48 1c2n n GLU 50 Cb 0.50 -4.98 -0.05 0.00 -0.57 0.00 0.00 31.44 26.34 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 -3.47 -1.26 -1.10 -0.32 5.36 -1.25 -4.98 117.98 110.95 1c2n s PHE 51 Ca 0.37 2.12 -0.22 0.00 -0.96 0.00 0.00 56.93 58.25 1c2n s PHE 51 Cb -0.09 0.69 0.05 0.00 -0.34 0.00 0.00 43.02 43.32 1c2n s PHE 51 CO 0.80 -0.65 1.58 0.21 -1.46 0.00 0.00 175.22 175.70 1c2n s LYS 52 N 2.84 3.62 0.60 10.12 2.20 -1.26 -4.93 119.74 132.94 1c2n s LYS 52 Ca -0.03 -1.34 -0.10 0.00 -0.36 0.00 0.00 55.97 54.14 1c2n s LYS 52 Cb -0.12 -5.39 0.15 0.00 -1.51 0.00 0.00 37.83 30.95 1c2n s LYS 52 CO -0.18 -2.34 0.50 0.66 -0.36 0.00 0.00 175.35 173.63 1c2n n TYR 53 N 9.17 -3.32 -4.23 4.03 4.01 -1.26 -5.09 117.16 120.47 1c2n n TYR 53 Ca 0.39 -0.45 -0.27 0.00 -0.16 0.00 0.00 57.90 57.41 1c2n n TYR 53 Cb 0.49 -0.55 -0.07 0.00 -0.31 0.00 0.00 39.34 38.91 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 -4.14 2.20 0.23 -0.72 -0.14 -1.26 -5.03 119.74 110.88 1c2n s LYS 54 Ca 0.33 -1.99 -0.07 0.00 -1.36 0.00 0.00 55.97 52.88 1c2n s LYS 54 Cb -0.04 -1.90 0.25 0.00 -1.68 0.00 0.00 37.83 34.47 1c2n s LYS 54 CO 0.26 -0.23 1.87 -0.44 -0.76 0.00 0.00 175.35 176.05 1c2n h ASP 55 N 1.33 0.88 0.39 2.83 5.19 -1.95 -1.98 116.42 123.11 1c2n h ASP 55 Ca -0.42 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.97 1c2n h ASP 55 Cb 1.27 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.59 1c2n h ASP 55 CO 0.70 0.60 -0.19 0.77 -3.12 0.00 0.00 179.24 178.00 1c2n h SER 56 N 1.03 -0.45 -0.54 6.45 4.64 -1.84 0.31 113.55 123.14 1c2n h SER 56 Ca 0.33 0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.69 1c2n h SER 56 Cb 0.02 0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 1c2n h SER 56 CO -0.12 -0.28 0.36 -0.29 -0.87 0.00 0.00 176.83 175.63 1c2n h ILE 57 N -0.60 1.09 0.04 0.95 2.10 -1.78 0.19 117.51 119.50 1c2n h ILE 57 Ca -0.05 -0.23 -0.00 0.00 1.08 0.00 0.00 64.86 65.66 1c2n h ILE 57 Cb 0.40 0.37 0.00 0.00 -1.09 0.00 0.00 36.82 36.50 1c2n h ILE 57 CO 0.09 0.12 -0.02 0.58 -1.08 0.00 0.00 178.15 177.84 1c2n h VAL 58 N 0.66 1.12 -0.98 2.19 2.07 -1.38 -1.65 116.25 118.28 1c2n h VAL 58 Ca 0.21 -0.55 0.04 0.00 0.82 0.00 0.00 66.70 67.23 1c2n h VAL 58 Cb 0.04 1.49 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 1c2n h VAL 58 CO -0.05 0.14 0.64 0.00 0.02 0.00 0.00 177.57 178.31 1c2n h ALA 59 N 0.64 1.32 -0.15 1.67 0.00 -0.06 0.69 119.26 123.38 1c2n h ALA 59 Ca -0.01 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1c2n h ALA 59 Cb 0.27 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1c2n h ALA 59 CO 0.01 0.50 -0.09 1.25 0.00 0.00 0.00 179.25 180.92 1c2n h LEU 60 N 1.22 -0.29 0.14 0.00 5.85 -0.51 0.15 115.31 121.87 1c2n h LEU 60 Ca 0.40 0.07 0.01 0.00 0.84 0.00 0.00 57.88 59.20 1c2n h LEU 60 Cb 0.05 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1c2n h LEU 60 CO -0.14 -0.12 -0.23 1.23 -0.34 0.00 0.00 178.44 178.85 1c2n h GLY 61 N -0.08 -0.44 0.52 3.75 0.00 -0.42 -2.52 103.07 103.88 1c2n h GLY 61 Ca 0.09 0.26 0.14 0.00 0.00 0.00 0.00 47.33 47.83 1c2n h GLY 61 CO -0.20 -0.21 0.58 0.00 0.00 0.00 0.00 176.54 176.71 1c2n h ALA 62 N 0.32 1.81 0.00 3.60 0.00 -0.32 0.87 119.26 125.55 1c2n h ALA 62 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1c2n h ALA 62 Cb 0.45 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1c2n h ALA 62 CO -0.11 -0.06 0.00 -1.13 0.00 0.00 0.00 179.25 177.95 1c2n n SER 63 N -4.57 0.00 0.00 0.00 3.41 0.47 -4.82 113.62 108.12 1c2n n SER 63 Ca 0.17 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 1c2n n SER 63 Cb 0.46 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.20 1.17 3.76 5.00 0.00 0.29 -5.10 105.19 110.11 1c2n n GLY 64 Ca 0.04 0.00 -0.41 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 3.17 -0.06 1.61 2.19 -1.00 -5.02 117.98 116.86 1c2n s PHE 65 Ca 0.00 1.38 0.01 0.00 0.33 0.00 0.00 56.93 58.65 1c2n s PHE 65 Cb 0.00 -3.62 0.02 0.00 -1.31 0.00 0.00 43.02 38.11 1c2n s PHE 65 CO 0.00 -1.75 -0.08 0.00 1.83 0.00 0.00 175.22 175.22 1c2n s ALA 66 N -0.75 1.02 0.58 11.12 0.00 -1.26 -3.30 121.76 129.16 1c2n s ALA 66 Ca 0.51 -0.28 -0.21 0.00 0.00 0.00 0.00 51.96 51.98 1c2n s ALA 66 Cb -0.38 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 1c2n s ALA 66 CO 0.47 -0.03 1.34 -1.58 0.00 0.00 0.00 175.76 175.96 1c2n s TRP 67 N 0.96 2.22 0.16 0.00 0.23 0.15 -4.86 118.94 117.79 1c2n s TRP 67 Ca -0.10 1.40 -0.03 0.00 -2.03 0.00 0.00 56.10 55.34 1c2n s TRP 67 Cb -0.15 -3.78 -0.03 0.00 0.03 0.00 0.00 33.47 29.55 1c2n s TRP 67 CO 0.00 -2.92 0.14 0.95 0.96 0.00 0.00 176.95 176.08 1c2n s THR 68 N -1.33 0.07 0.26 2.01 -4.23 -1.26 -0.20 115.64 110.96 1c2n s THR 68 Ca 0.75 -1.79 -0.03 0.00 -1.18 0.00 0.00 61.69 59.44 1c2n s THR 68 Cb -0.40 -2.09 0.24 0.00 1.34 0.00 0.00 72.50 71.59 1c2n s THR 68 CO 0.46 -0.32 1.83 -0.33 -0.54 0.00 0.00 174.62 175.72 1c2n h GLU 69 N 2.72 0.88 0.12 3.99 5.08 -1.96 0.80 114.58 126.20 1c2n h GLU 69 Ca -0.34 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 1c2n h GLU 69 Cb 1.22 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1c2n h GLU 69 CO 0.54 0.58 -0.06 0.93 -1.00 0.00 0.00 179.01 180.01 1c2n h GLU 70 N 0.90 -0.15 -0.27 2.33 5.08 -1.98 0.49 114.58 120.98 1c2n h GLU 70 Ca 0.42 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.82 1c2n h GLU 70 Cb 0.35 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1c2n h GLU 70 CO -0.24 0.10 0.11 -0.44 -1.00 0.00 0.00 179.01 177.54 1c2n h ASP 71 N -0.39 0.14 0.35 1.42 3.32 -1.80 -0.10 116.42 119.37 1c2n h ASP 71 Ca -0.02 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1c2n h ASP 71 Cb 0.32 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1c2n h ASP 71 CO 0.03 0.11 -0.30 0.40 -1.72 0.00 0.00 179.24 177.76 1c2n h ILE 72 N 0.24 0.38 -0.95 0.35 1.08 -0.79 0.11 117.51 117.92 1c2n h ILE 72 Ca 0.12 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.79 1c2n h ILE 72 Cb 0.07 0.38 -0.11 0.00 -3.07 0.00 0.00 36.82 34.08 1c2n h ILE 72 CO -0.11 0.00 0.52 0.00 -0.69 0.00 0.00 178.15 177.88 1c2n h ALA 73 N -0.12 1.59 0.25 1.87 0.00 -0.62 -0.46 119.26 121.77 1c2n h ALA 73 Ca -0.03 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1c2n h ALA 73 Cb 0.58 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1c2n h ALA 73 CO -0.03 -0.20 -0.12 1.15 0.00 0.00 0.00 179.25 180.06 1c2n h THR 74 N 0.59 0.60 -0.70 0.00 2.02 -0.58 -3.34 112.91 111.50 1c2n h THR 74 Ca 0.58 -0.90 0.14 0.00 0.77 0.00 0.00 66.41 67.00 1c2n h THR 74 Cb 1.00 0.99 -0.10 0.00 -1.74 0.00 0.00 68.15 68.30 1c2n h THR 74 CO -0.44 0.15 0.20 0.22 0.37 0.00 0.00 175.52 176.01 1c2n h TYR 75 N -0.92 0.33 -0.73 3.16 3.20 0.06 -1.43 116.97 120.65 1c2n h TYR 75 Ca -0.03 0.04 0.15 0.00 3.14 0.00 0.00 58.73 62.03 1c2n h TYR 75 Cb 0.50 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.69 1c2n h TYR 75 CO 0.05 -0.02 0.49 -0.39 -1.64 0.00 0.00 178.16 176.65 1c2n h VAL 76 N 0.32 0.78 -0.20 1.81 -1.51 -1.24 0.66 116.25 116.88 1c2n h VAL 76 Ca 0.39 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.74 1c2n h VAL 76 Cb 0.61 0.40 0.00 0.00 -2.13 0.00 0.00 31.29 30.17 1c2n h VAL 76 CO -0.45 0.06 0.00 2.29 -1.23 0.00 0.00 177.57 178.25 1c2n n LYS 77 N -4.46 2.16 -3.00 5.19 2.85 -0.57 -0.80 118.16 119.53 1c2n n LYS 77 Ca 0.14 -1.72 -0.15 0.00 -1.05 0.00 0.00 58.31 55.53 1c2n n LYS 77 Cb 0.55 -1.47 0.01 0.00 -0.65 0.00 0.00 35.03 33.47 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 0.99 -0.66 -4.78 -5.58 8.00 0.21 -4.86 116.55 109.87 1c2n n ASP 78 Ca 0.17 -3.21 -0.41 0.00 0.71 0.00 0.00 54.79 52.06 1c2n n ASP 78 Cb 0.50 0.43 0.00 0.00 -0.02 0.00 0.00 41.12 42.03 1c2n n ASP 78 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1c2n s PRO 79 N -1.07 3.99 0.00 -0.24 0.02 -1.11 -0.92 135.00 135.68 1c2n s PRO 79 Ca 0.33 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.90 1c2n s PRO 79 Cb 0.29 -2.89 0.00 0.00 0.02 0.00 0.00 34.50 31.92 1c2n s PRO 79 CO -0.09 -0.62 0.00 0.41 -0.33 0.00 0.00 177.00 176.36 1c2n n GLY 80 N 0.47 0.96 0.31 0.52 0.00 -1.26 -4.43 105.19 101.76 1c2n n GLY 80 Ca 0.02 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 0.20 4.61 0.00 -1.81 0.14 119.26 123.58 1c2n h ALA 81 Ca 0.00 0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1c2n h ALA 81 Cb 0.00 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1c2n h ALA 81 CO 0.00 -0.51 -0.33 0.35 0.00 0.00 0.00 179.25 178.76 1c2n h PHE 82 N 0.12 -0.90 -0.43 0.00 3.57 -1.24 0.42 116.94 118.49 1c2n h PHE 82 Ca 0.55 0.02 0.03 0.00 3.53 0.00 0.00 57.97 62.09 1c2n h PHE 82 Cb 1.10 0.37 -0.04 0.00 2.79 0.00 0.00 35.95 40.18 1c2n h PHE 82 CO -0.36 -0.45 0.22 -0.07 -2.23 0.00 0.00 178.31 175.42 1c2n h LEU 83 N -0.61 0.32 -0.10 0.59 4.07 -1.11 -0.02 115.31 118.46 1c2n h LEU 83 Ca 0.01 0.02 0.04 0.00 0.08 0.00 0.00 57.88 58.03 1c2n h LEU 83 Cb 0.60 -0.04 -0.05 0.00 1.08 0.00 0.00 40.66 42.25 1c2n h LEU 83 CO -0.14 0.23 -0.21 0.11 -1.08 0.00 0.00 178.44 177.35 1c2n h LYS 84 N 0.44 -0.27 0.24 1.13 1.57 -0.52 0.19 116.57 119.34 1c2n h LYS 84 Ca 0.18 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1c2n h LYS 84 Cb 0.08 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1c2n h LYS 84 CO -0.12 -0.18 -0.40 1.49 -0.57 0.00 0.00 179.45 179.66 1c2n h GLU 85 N -0.28 -0.69 0.41 3.15 4.81 -0.55 0.23 114.58 121.66 1c2n h GLU 85 Ca 0.09 0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1c2n h GLU 85 Cb 0.41 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1c2n h GLU 85 CO -0.26 -0.46 -0.20 0.87 -0.73 0.00 0.00 179.01 178.23 1c2n h LYS 86 N -0.71 -0.53 0.00 1.92 1.79 -0.80 -3.35 116.57 114.89 1c2n h LYS 86 Ca -0.00 0.04 -0.14 0.00 -2.18 0.00 0.00 60.65 58.36 1c2n h LYS 86 Cb 0.69 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.44 1c2n h LYS 86 CO -0.16 -0.29 -1.26 1.25 -1.08 0.00 0.00 179.45 177.91 1c2n h LEU 87 N -0.67 0.00 -1.73 2.94 5.85 -0.64 -3.49 115.31 117.57 1c2n h LEU 87 Ca -0.06 0.00 -0.41 0.00 0.84 0.00 0.00 57.88 58.25 1c2n h LEU 87 Cb 0.48 0.00 0.06 0.00 0.37 0.00 0.00 40.66 41.58 1c2n h LEU 87 CO 0.09 0.51 -0.82 -0.67 -0.34 0.00 0.00 178.44 177.21 1c2n n ASP 88 N -2.91 -1.40 -4.27 1.25 2.03 0.82 -4.99 116.55 107.08 1c2n n ASP 88 Ca -0.07 -0.80 -0.33 0.00 0.52 0.00 0.00 54.79 54.11 1c2n n ASP 88 Cb 0.80 -4.14 -0.16 0.00 -0.72 0.00 0.00 41.12 36.90 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 -4.32 3.49 0.26 1.67 2.15 -1.26 -5.03 116.67 113.63 1c2n s ASP 89 Ca 0.03 -0.47 -0.02 0.00 0.43 0.00 0.00 52.55 52.52 1c2n s ASP 89 Cb -0.02 -1.51 0.51 0.00 -0.30 0.00 0.00 42.92 41.61 1c2n s ASP 89 CO 0.81 0.14 1.74 0.50 -0.17 0.00 0.00 175.17 178.18 1c2n h LYS 90 N 6.89 0.49 -0.93 4.34 3.64 -1.96 -0.56 116.57 128.48 1c2n h LYS 90 Ca -0.25 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 58.89 1c2n h LYS 90 Cb 1.22 -0.11 -0.12 0.00 -0.41 0.00 0.00 32.23 32.80 1c2n h LYS 90 CO 0.52 0.32 0.26 0.36 -2.27 0.00 0.00 179.45 178.65 1c2n n LYS 91 N -4.96 2.13 -1.15 1.90 2.85 -1.26 -4.77 118.16 112.91 1c2n n LYS 91 Ca 0.16 -1.70 -0.36 0.00 -1.05 0.00 0.00 58.31 55.36 1c2n n LYS 91 Cb 0.45 -1.74 -0.03 0.00 -0.65 0.00 0.00 35.03 33.06 1c2n n LYS 91 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1c2n n ALA 92 N -0.19 4.75 -2.45 0.58 0.00 -0.22 -4.47 120.51 118.49 1c2n n ALA 92 Ca 0.28 -3.02 -0.19 0.00 0.00 0.00 0.00 53.44 50.51 1c2n n ALA 92 Cb 1.05 -3.38 0.11 0.00 0.00 0.00 0.00 19.45 17.23 1c2n n ALA 92 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1c2n n LYS 93 N 5.48 -0.10 -3.55 0.00 2.85 -1.26 -4.10 118.16 117.48 1c2n n LYS 93 Ca 0.52 -2.16 -0.17 0.00 -1.05 0.00 0.00 58.31 55.45 1c2n n LYS 93 Cb 0.29 -0.61 -0.06 0.00 -0.65 0.00 0.00 35.03 34.00 1c2n n LYS 93 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 1c2n s THR 94 N -2.59 0.01 0.40 0.58 -1.32 -1.26 -4.49 115.64 106.97 1c2n s THR 94 Ca 0.55 -0.07 0.23 0.00 -1.21 0.00 0.00 61.69 61.19 1c2n s THR 94 Cb -0.03 -0.95 0.25 0.00 -1.51 0.00 0.00 72.50 70.26 1c2n s THR 94 CO 0.37 -0.04 2.01 1.23 -2.21 0.00 0.00 174.62 175.98 1c2n h GLY 95 N 3.08 0.00 -7.29 6.08 0.00 -2.00 -3.41 103.07 99.53 1c2n h GLY 95 Ca -0.28 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.88 1c2n h GLY 95 CO 0.39 0.00 0.54 -0.29 0.00 0.00 0.00 176.54 177.18 1c2n s MET 96 N -4.23 1.91 -1.32 4.80 -2.45 -1.26 -4.81 119.30 111.94 1c2n s MET 96 Ca -0.03 -0.62 -0.08 0.00 -1.25 0.00 0.00 55.69 53.71 1c2n s MET 96 Cb 0.13 -5.08 -0.07 0.00 1.25 0.00 0.00 34.83 31.07 1c2n s MET 96 CO 0.62 -4.55 2.93 0.00 1.05 0.00 0.00 175.02 175.08 1c2n n ALA 97 N 16.81 7.25 -3.55 4.11 0.00 -1.26 -4.73 120.51 139.13 1c2n n ALA 97 Ca 0.43 -3.40 -0.13 0.00 0.00 0.00 0.00 53.44 50.34 1c2n n ALA 97 Cb 0.46 -3.08 -0.05 0.00 0.00 0.00 0.00 19.45 16.78 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 1.24 -0.46 0.16 0.00 2.19 -1.26 -5.19 117.98 114.66 1c2n s PHE 98 Ca 0.66 0.74 -0.05 0.00 0.33 0.00 0.00 56.93 58.61 1c2n s PHE 98 Cb 0.21 0.45 -0.03 0.00 -1.31 0.00 0.00 43.02 42.34 1c2n s PHE 98 CO -0.07 -0.45 0.18 -1.59 1.83 0.00 0.00 175.22 175.12 1c2n s LYS 99 N -1.35 1.10 -0.25 10.12 -2.85 -1.26 -4.71 119.74 120.53 1c2n s LYS 99 Ca -0.04 -1.37 -0.02 0.00 -1.00 0.00 0.00 55.97 53.54 1c2n s LYS 99 Cb -0.00 0.31 0.02 0.00 -2.06 0.00 0.00 37.83 36.09 1c2n s LYS 99 CO 0.03 -0.37 -0.05 -1.17 0.10 0.00 0.00 175.35 173.90 1c2n s LEU 100 N -3.04 3.19 -0.50 2.77 2.96 0.02 -5.00 118.68 119.09 1c2n s LEU 100 Ca 0.24 -0.78 -0.07 0.00 -0.22 0.00 0.00 54.13 53.31 1c2n s LEU 100 Cb 0.05 -1.69 -0.17 0.00 0.50 0.00 0.00 46.19 44.88 1c2n s LEU 100 CO 0.04 -0.12 3.32 0.00 -1.32 0.00 0.00 176.35 178.27 1c2n n ALA 101 N 4.71 6.69 -2.28 5.97 0.00 -1.26 -3.92 120.51 130.42 1c2n n ALA 101 Ca -0.17 -2.48 -0.15 0.00 0.00 0.00 0.00 53.44 50.64 1c2n n ALA 101 Cb 0.48 -2.57 -0.10 0.00 0.00 0.00 0.00 19.45 17.26 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 0.85 1.34 0.46 0.00 1.02 -1.26 -5.04 119.74 117.12 1c2n s LYS 102 Ca 0.66 -1.72 0.31 0.00 0.02 0.00 0.00 55.97 55.25 1c2n s LYS 102 Cb 0.29 -0.12 1.42 0.00 -0.52 0.00 0.00 37.83 38.90 1c2n s LYS 102 CO -0.04 -0.31 1.94 0.78 -0.92 0.00 0.00 175.35 176.79 1c2n h GLY 103 N 2.46 0.00 0.00 -3.33 0.00 -1.89 -3.43 103.07 96.88 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 0.59 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.74 1c2n n GLY 104 N -0.31 0.74 0.18 4.60 0.00 -1.26 -4.52 105.19 104.62 1c2n n GLY 104 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 2.15 0.47 -0.14 1.61 9.09 -1.89 0.54 114.58 126.40 1c2n h GLU 105 Ca 0.00 -0.03 0.04 0.00 0.05 0.00 0.00 59.36 59.42 1c2n h GLU 105 Cb 0.03 -0.10 -0.04 0.00 -1.65 0.00 0.00 28.75 26.99 1c2n h GLU 105 CO 0.00 0.31 -0.13 0.38 0.05 0.00 0.00 179.01 179.62 1c2n h ASP 106 N 0.48 -0.40 0.08 3.06 2.03 -1.86 0.75 116.42 120.56 1c2n h ASP 106 Ca 0.16 0.08 -0.00 0.00 -0.73 0.00 0.00 57.03 56.54 1c2n h ASP 106 Cb 0.02 0.20 0.00 0.00 -0.83 0.00 0.00 39.33 38.71 1c2n h ASP 106 CO -0.08 -0.17 -0.04 0.58 -1.03 0.00 0.00 179.24 178.50 1c2n h VAL 107 N -0.15 0.98 -0.46 4.15 2.07 -1.78 0.70 116.25 121.76 1c2n h VAL 107 Ca 0.09 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1c2n h VAL 107 Cb 0.28 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1c2n h VAL 107 CO -0.23 0.05 0.20 0.00 0.02 0.00 0.00 177.57 177.62 1c2n h ALA 108 N 0.71 0.57 -0.56 1.67 0.00 -0.67 0.67 119.26 121.65 1c2n h ALA 108 Ca -0.01 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1c2n h ALA 108 Cb 0.17 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1c2n h ALA 108 CO 0.02 -0.17 0.37 0.00 0.00 0.00 0.00 179.25 179.47 1c2n h ALA 109 N 1.27 0.71 -0.13 0.00 0.00 -0.63 0.35 119.26 120.83 1c2n h ALA 109 Ca 0.21 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1c2n h ALA 109 Cb 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1c2n h ALA 109 CO -0.18 0.14 0.06 -0.92 0.00 0.00 0.00 179.25 178.35 1c2n h TYR 110 N 0.75 0.11 -0.43 0.00 3.20 0.04 0.12 116.97 120.75 1c2n h TYR 110 Ca 0.21 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1c2n h TYR 110 Cb -0.07 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 1c2n h TYR 110 CO -0.04 0.06 0.28 -0.07 -1.64 0.00 0.00 178.16 176.76 1c2n h LEU 111 N 0.13 0.49 -0.82 2.82 3.38 -0.46 0.17 115.31 121.03 1c2n h LEU 111 Ca 0.05 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1c2n h LEU 111 Cb 0.01 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 1c2n h LEU 111 CO -0.04 0.36 0.50 0.00 0.09 0.00 0.00 178.44 179.34 1c2n h ALA 112 N 1.16 1.12 -0.55 1.53 0.00 -0.66 -1.84 119.26 120.02 1c2n h ALA 112 Ca 0.16 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1c2n h ALA 112 Cb -0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1c2n h ALA 112 CO -0.03 0.22 -0.04 0.77 0.00 0.00 0.00 179.25 180.17 1c2n h SER 113 N 0.90 0.99 -0.65 0.00 0.02 0.10 -3.24 113.55 111.68 1c2n h SER 113 Ca 0.36 -0.32 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1c2n h SER 113 Cb 0.19 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 1c2n h SER 113 CO -0.18 1.08 0.42 0.58 -1.14 0.00 0.00 176.83 177.59 1c2n h VAL 114 N 0.88 1.17 -0.37 2.27 2.07 0.13 -3.38 116.25 119.02 1c2n h VAL 114 Ca 0.15 -0.31 -0.35 0.00 0.82 0.00 0.00 66.70 67.01 1c2n h VAL 114 Cb 0.59 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1c2n h VAL 114 CO 0.04 0.16 1.13 0.55 0.02 0.00 0.00 177.57 179.47 1c2n n VAL 115 N -4.63 1.72 -1.59 2.57 3.14 -0.93 -4.95 118.33 113.67 1c2n n VAL 115 Ca 0.05 -1.76 0.00 0.00 -2.96 0.00 0.00 64.34 59.68 1c2n n VAL 115 Cb 0.02 -2.17 0.00 0.00 -1.06 0.00 0.00 33.84 30.63 1c2n n VAL 115 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66