#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 6.27 0.44 1.61 -1.08 -1.26 -4.73 116.67 117.92 1c2n s ASP 2 Ca 0.00 -0.64 0.26 0.00 -0.52 0.00 0.00 52.55 51.66 1c2n s ASP 2 Cb 0.00 -2.33 1.30 0.00 -1.46 0.00 0.00 42.92 40.44 1c2n s ASP 2 CO 0.00 -0.92 1.73 0.00 0.52 0.00 0.00 175.17 176.51 1c2n h ALA 3 N 9.02 2.60 -0.13 3.66 0.00 -1.86 0.18 119.26 132.72 1c2n h ALA 3 Ca -0.27 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1c2n h ALA 3 Cb 1.09 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1c2n h ALA 3 CO 0.96 -1.06 0.02 0.00 0.00 0.00 0.00 179.25 179.18 1c2n h ALA 4 N 1.55 0.18 -0.77 0.00 0.00 -1.92 0.11 119.26 118.41 1c2n h ALA 4 Ca 0.66 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 1c2n h ALA 4 Cb 2.02 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.72 1c2n h ALA 4 CO -0.26 -0.16 0.41 0.87 0.00 0.00 0.00 179.25 180.11 1c2n h LYS 5 N -0.01 1.08 0.01 0.00 1.57 -1.10 -0.20 116.57 117.93 1c2n h LYS 5 Ca 0.04 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1c2n h LYS 5 Cb 0.30 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1c2n h LYS 5 CO 0.00 0.80 -0.15 0.78 -0.57 0.00 0.00 179.45 180.32 1c2n h GLY 6 N 1.12 -0.20 0.81 3.86 0.00 -0.63 0.11 103.07 108.14 1c2n h GLY 6 Ca 0.27 0.17 0.02 0.00 0.00 0.00 0.00 47.33 47.80 1c2n h GLY 6 CO -0.04 -0.15 0.03 -2.09 0.00 0.00 0.00 176.54 174.30 1c2n h GLU 7 N -0.25 0.10 -0.13 4.80 4.81 -0.32 0.12 114.58 123.71 1c2n h GLU 7 Ca 0.05 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1c2n h GLU 7 Cb 0.31 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 1c2n h GLU 7 CO -0.13 0.07 -0.09 0.87 -0.73 0.00 0.00 179.01 178.99 1c2n h LYS 8 N 0.11 -0.10 -0.63 1.92 1.57 -0.74 -1.09 116.57 117.62 1c2n h LYS 8 Ca 0.08 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1c2n h LYS 8 Cb 0.07 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 1c2n h LYS 8 CO -0.10 -0.06 0.42 1.49 -0.57 0.00 0.00 179.45 180.62 1c2n h GLU 9 N -0.10 0.68 0.00 3.15 4.57 -0.45 -0.17 114.58 122.26 1c2n h GLU 9 Ca 0.08 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1c2n h GLU 9 Cb 0.22 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1c2n h GLU 9 CO -0.19 0.45 0.11 0.35 -1.18 0.00 0.00 179.01 178.54 1c2n h PHE 10 N 0.70 0.00 -0.76 0.92 3.04 0.58 -0.65 116.94 120.77 1c2n h PHE 10 Ca 0.26 0.00 0.19 0.00 3.98 0.00 0.00 57.97 62.40 1c2n h PHE 10 Cb 0.16 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.63 1c2n h PHE 10 CO -0.00 0.00 0.53 -0.97 -2.02 0.00 0.00 178.31 175.85 1c2n h ASN 11 N 0.00 0.16 0.00 0.41 -0.73 -0.88 0.82 115.58 115.36 1c2n h ASN 11 Ca 0.00 0.01 -0.07 0.00 1.87 0.00 0.00 56.30 58.11 1c2n h ASN 11 Cb 0.21 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.77 1c2n h ASN 11 CO 0.00 0.07 -0.44 0.11 -0.37 0.00 0.00 177.43 176.80 1c2n h LYS 12 N 0.16 0.00 -1.06 6.67 6.56 -1.32 -3.39 116.57 124.20 1c2n h LYS 12 Ca 0.37 0.00 0.29 0.00 -1.06 0.00 0.00 60.65 60.25 1c2n h LYS 12 Cb 1.22 0.00 -0.12 0.00 -0.57 0.00 0.00 32.23 32.76 1c2n h LYS 12 CO -0.06 0.73 0.65 0.00 -2.06 0.00 0.00 179.45 178.71 1c2n h LYS 14 N 0.40 0.00 0.00 0.00 5.09 -1.03 0.08 116.57 121.10 1c2n h LYS 14 Ca 0.67 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 61.40 1c2n h LYS 14 Cb 1.59 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.92 1c2n h LYS 14 CO -0.43 0.00 -0.02 1.15 -2.09 0.00 0.00 179.45 178.06 1c2n h THR 15 N 0.00 0.21 0.00 0.07 2.02 -1.25 0.90 112.91 114.86 1c2n h THR 15 Ca 0.19 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 1c2n h THR 15 Cb 1.11 1.11 -0.00 0.00 -1.74 0.00 0.00 68.15 68.63 1c2n h THR 15 CO -0.00 0.02 -1.06 0.00 0.37 0.00 0.00 175.52 174.84 1c2n s HIS 17 N -2.02 2.64 0.12 0.00 3.76 -0.66 -0.06 115.29 119.07 1c2n s HIS 17 Ca -0.01 -0.55 -0.02 0.00 -0.15 0.00 0.00 55.06 54.32 1c2n s HIS 17 Cb 0.00 -2.00 -0.03 0.00 1.11 0.00 0.00 32.58 31.66 1c2n s HIS 17 CO 0.03 0.11 0.08 -1.54 -0.85 0.00 0.00 174.74 172.56 1c2n s SER 18 N -3.97 0.29 -0.09 1.40 1.04 -1.08 -3.18 113.70 108.12 1c2n s SER 18 Ca 0.43 -1.10 -0.01 0.00 0.48 0.00 0.00 55.95 55.74 1c2n s SER 18 Cb 0.01 0.30 0.03 0.00 0.10 0.00 0.00 66.02 66.47 1c2n s SER 18 CO 0.24 -0.73 -0.01 -0.63 0.98 0.00 0.00 173.24 173.09 1c2n s ILE 19 N -4.01 0.50 -0.01 -1.02 1.09 -0.54 -0.55 121.20 116.65 1c2n s ILE 19 Ca 0.19 -0.01 0.00 0.00 -1.10 0.00 0.00 60.65 59.74 1c2n s ILE 19 Cb 0.07 -0.67 0.02 0.00 -1.06 0.00 0.00 42.46 40.82 1c2n s ILE 19 CO -0.01 0.23 0.01 -0.51 -0.10 0.00 0.00 174.94 174.57 1c2n s ILE 20 N 1.92 0.01 0.85 2.92 2.07 -1.26 -0.66 121.20 127.05 1c2n s ILE 20 Ca 0.04 0.11 -0.11 0.00 -1.41 0.00 0.00 60.65 59.28 1c2n s ILE 20 Cb -0.13 -0.10 0.10 0.00 0.13 0.00 0.00 42.46 42.47 1c2n s ILE 20 CO -0.06 0.07 1.09 0.00 -1.91 0.00 0.00 174.94 174.13 1c2n s ALA 21 N 0.67 1.80 0.33 1.50 0.00 0.28 -4.78 121.76 121.56 1c2n s ALA 21 Ca -0.06 0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.05 1c2n s ALA 21 Cb -0.08 -3.24 0.68 0.00 0.00 0.00 0.00 23.12 20.48 1c2n s ALA 21 CO -0.02 -2.15 1.89 -1.35 0.00 0.00 0.00 175.76 174.13 1c2n h PRO 22 N -1.41 0.82 0.00 0.00 0.11 -1.97 0.75 132.00 130.31 1c2n h PRO 22 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1c2n h PRO 22 Cb 1.26 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1c2n h PRO 22 CO 0.53 0.54 0.00 0.22 -0.21 0.00 0.00 178.00 179.08 1c2n h ASP 23 N 0.85 0.00 0.00 -2.05 3.58 -2.05 -3.45 116.42 113.30 1c2n h ASP 23 Ca 0.41 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.86 1c2n h ASP 23 Cb 0.44 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.49 1c2n h ASP 23 CO -0.18 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.79 1c2n n GLY 24 N -0.84 0.35 3.61 -0.78 0.00 0.26 -5.04 105.19 102.74 1c2n n GLY 24 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 3.21 -0.29 2.61 2.01 -1.25 -4.74 115.64 115.19 1c2n s THR 25 Ca 0.00 0.22 -0.29 0.00 0.31 0.00 0.00 61.69 61.93 1c2n s THR 25 Cb 0.00 -3.27 -0.00 0.00 0.01 0.00 0.00 72.50 69.24 1c2n s THR 25 CO 0.00 -0.16 1.37 -1.61 -0.69 0.00 0.00 174.62 173.53 1c2n s GLU 26 N 5.89 3.86 -0.05 4.92 8.01 -1.26 -0.56 118.70 139.51 1c2n s GLU 26 Ca 0.91 1.30 -0.22 0.00 0.01 0.00 0.00 54.97 56.96 1c2n s GLU 26 Cb -0.29 -3.92 -0.29 0.00 -4.31 0.00 0.00 34.13 25.31 1c2n s GLU 26 CO 0.35 -1.19 0.93 0.82 0.01 0.00 0.00 175.26 176.17 1c2n h ILE 27 N 6.04 1.53 -3.09 -1.63 5.03 -1.30 -3.42 117.51 120.67 1c2n h ILE 27 Ca -0.28 -2.40 -0.54 0.00 -0.12 0.00 0.00 64.86 61.51 1c2n h ILE 27 Cb 1.11 3.09 -0.40 0.00 -3.03 0.00 0.00 36.82 37.59 1c2n h ILE 27 CO 1.03 0.68 -0.76 -0.69 -0.68 0.00 0.00 178.15 177.72 1c2n s VAL 28 N -2.59 0.48 -0.66 1.67 1.01 0.17 -4.96 120.40 115.52 1c2n s VAL 28 Ca -0.14 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 60.84 1c2n s VAL 28 Cb 0.01 -1.25 -0.16 0.00 0.00 0.00 0.00 36.38 34.98 1c2n s VAL 28 CO 0.81 -0.54 2.92 1.17 0.00 0.00 0.00 175.10 179.46 1c2n n LYS 29 N 5.03 2.39 -1.52 2.72 4.81 -1.26 -1.47 118.16 128.86 1c2n n LYS 29 Ca -0.05 -1.37 -0.18 0.00 -0.87 0.00 0.00 58.31 55.84 1c2n n LYS 29 Cb 0.44 -2.29 0.11 0.00 0.02 0.00 0.00 35.03 33.31 1c2n n LYS 29 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1c2n n GLY 30 N 3.09 -0.52 3.77 3.14 0.00 -1.26 -5.06 105.19 108.36 1c2n n GLY 30 Ca 0.51 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.41 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 -3.59 1.47 -0.28 4.61 0.00 0.31 -4.58 121.76 119.70 1c2n s ALA 31 Ca 0.47 -1.09 0.12 0.00 0.00 0.00 0.00 51.96 51.46 1c2n s ALA 31 Cb -0.02 -2.83 0.47 0.00 0.00 0.00 0.00 23.12 20.75 1c2n s ALA 31 CO 0.32 -2.98 1.17 1.63 0.00 0.00 0.00 175.76 175.90 1c2n n LYS 32 N -4.24 3.03 0.00 0.00 5.02 -1.20 -2.62 118.16 118.15 1c2n n LYS 32 Ca 0.14 -3.96 -0.02 0.00 -2.02 0.00 0.00 58.31 52.45 1c2n n LYS 32 Cb 0.59 -2.07 0.25 0.00 -0.02 0.00 0.00 35.03 33.78 1c2n n LYS 32 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1c2n h THR 33 N 3.20 1.23 -1.58 -0.18 2.02 -0.78 -3.43 112.91 113.39 1c2n h THR 33 Ca 0.21 -1.02 -0.60 0.00 0.77 0.00 0.00 66.41 65.77 1c2n h THR 33 Cb 1.46 1.13 -0.11 0.00 -1.74 0.00 0.00 68.15 68.89 1c2n h THR 33 CO 0.58 0.34 -0.55 -0.83 0.37 0.00 0.00 175.52 175.43 1c2n s GLY 34 N -3.92 2.45 1.24 2.16 0.00 -0.46 -5.03 107.32 103.76 1c2n s GLY 34 Ca -0.07 -2.15 -0.17 0.00 0.00 0.00 0.00 44.72 42.32 1c2n s GLY 34 CO 0.78 -2.02 0.71 -1.05 0.00 0.00 0.00 173.10 171.52 1c2n n PRO 35 N -1.11 -3.02 -2.91 2.90 -0.02 -1.26 -4.64 135.00 124.94 1c2n n PRO 35 Ca -0.04 -0.87 -0.40 0.00 -2.02 0.00 0.00 63.50 60.17 1c2n n PRO 35 Cb 0.66 -1.94 -0.05 0.00 -0.02 0.00 0.00 33.50 32.15 1c2n n PRO 35 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1c2n s ASN 36 N -2.41 7.31 -0.02 2.55 3.84 -1.26 -4.03 114.94 120.92 1c2n s ASN 36 Ca 0.63 1.57 0.19 0.00 0.21 0.00 0.00 52.86 55.45 1c2n s ASN 36 Cb -0.18 -2.51 0.57 0.00 -0.55 0.00 0.00 41.25 38.58 1c2n s ASN 36 CO 0.61 0.01 1.47 0.18 -2.79 0.00 0.00 177.10 176.58 1c2n n LEU 37 N 2.68 3.49 -4.56 3.21 4.77 0.28 -4.80 117.00 122.08 1c2n n LEU 37 Ca -0.01 -1.75 -0.20 0.00 -0.03 0.00 0.00 56.01 54.02 1c2n n LEU 37 Cb 0.50 -0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1c2n n LEU 37 CO 0.48 0.82 1.28 -0.47 -1.33 0.00 0.00 177.39 178.16 1c2n s TYR 38 N -1.27 1.47 0.00 -1.77 5.04 -1.26 -1.57 117.35 117.99 1c2n s TYR 38 Ca 0.42 1.36 0.00 0.00 -2.44 0.00 0.00 57.07 56.41 1c2n s TYR 38 Cb 0.23 -3.71 0.00 0.00 0.35 0.00 0.00 41.96 38.83 1c2n s TYR 38 CO 0.27 -1.54 0.00 0.41 -1.34 0.00 0.00 175.55 173.35 1c2n n GLY 39 N 6.71 0.94 0.20 8.97 0.00 -1.26 -4.95 105.19 115.80 1c2n n GLY 39 Ca 0.44 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 1.34 -1.99 1.61 3.04 -1.60 -3.38 116.25 115.27 1c2n h VAL 40 Ca 0.00 -1.98 -0.56 0.00 -1.01 0.00 0.00 66.70 63.16 1c2n h VAL 40 Cb 0.40 1.95 -0.00 0.00 -2.01 0.00 0.00 31.29 31.63 1c2n h VAL 40 CO 0.00 0.61 1.50 -0.69 -1.01 0.00 0.00 177.57 177.97 1c2n s VAL 41 N -3.79 3.07 0.00 1.51 1.01 -1.26 -0.42 120.40 120.52 1c2n s VAL 41 Ca -0.07 0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1c2n s VAL 41 Cb 0.10 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1c2n s VAL 41 CO 0.85 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.48 1c2n n GLY 42 N 5.78 1.35 3.75 4.51 0.00 0.12 -5.00 105.19 115.71 1c2n n GLY 42 Ca 0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.76 4.55 0.15 1.61 6.06 0.44 -4.46 118.95 126.53 1c2n s ARG 43 Ca 0.00 1.86 -0.31 0.00 -2.50 0.00 0.00 55.73 54.78 1c2n s ARG 43 Cb 0.00 -3.21 -0.10 0.00 0.06 0.00 0.00 34.95 31.70 1c2n s ARG 43 CO 0.00 0.04 1.62 0.99 -2.50 0.00 0.00 175.30 175.45 1c2n s THR 44 N -0.60 2.58 0.78 4.11 2.01 -1.26 -0.73 115.64 122.53 1c2n s THR 44 Ca 0.49 0.36 -0.14 0.00 0.31 0.00 0.00 61.69 62.70 1c2n s THR 44 Cb -0.33 -3.23 0.05 0.00 0.01 0.00 0.00 72.50 69.00 1c2n s THR 44 CO 0.40 0.02 1.09 0.00 -0.69 0.00 0.00 174.62 175.44 1c2n n ALA 45 N 4.34 -0.16 -1.63 7.40 0.00 -0.00 -3.19 120.51 127.27 1c2n n ALA 45 Ca 0.15 -0.28 -0.14 0.00 0.00 0.00 0.00 53.44 53.17 1c2n n ALA 45 Cb 0.38 -2.19 -0.04 0.00 0.00 0.00 0.00 19.45 17.60 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 0.79 0.98 1.02 0.00 0.00 -1.26 -4.12 105.19 102.60 1c2n n GLY 46 Ca 0.13 -0.37 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.99 0.00 -2.32 2.61 5.66 -1.19 -4.70 114.28 111.34 1c2n n THR 47 Ca -0.14 -0.17 -0.42 0.00 -3.05 0.00 0.00 64.05 60.27 1c2n n THR 47 Cb 0.49 0.53 -0.03 0.00 -1.55 0.00 0.00 70.33 69.78 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 3.31 0.75 1.09 6.14 -1.26 -4.94 117.35 122.44 1c2n s TYR 48 Ca 0.06 1.14 -0.17 0.00 0.64 0.00 0.00 57.07 58.74 1c2n s TYR 48 Cb 0.07 -3.53 -0.09 0.00 0.42 0.00 0.00 41.96 38.83 1c2n s TYR 48 CO -0.03 -1.74 0.01 -2.30 0.64 0.00 0.00 175.55 172.13 1c2n n PRO 49 N 4.12 0.10 -3.35 4.97 -0.02 -1.26 -4.14 135.00 135.42 1c2n n PRO 49 Ca 0.10 0.05 -0.14 0.00 -2.02 0.00 0.00 63.50 61.49 1c2n n PRO 49 Cb 0.45 -1.40 0.03 0.00 -0.02 0.00 0.00 33.50 32.55 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 0.60 -1.52 -3.57 -0.52 2.13 -1.26 -4.66 120.64 111.83 1c2n n GLU 50 Ca 0.06 1.01 -0.02 0.00 0.66 0.00 0.00 57.16 58.88 1c2n n GLU 50 Cb 0.51 -4.88 -0.05 0.00 0.27 0.00 0.00 31.44 27.29 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 -3.19 -0.79 -0.99 4.31 5.36 -1.26 -4.81 117.98 116.62 1c2n s PHE 51 Ca 0.21 1.47 -0.23 0.00 -0.96 0.00 0.00 56.93 57.41 1c2n s PHE 51 Cb -0.05 0.47 0.04 0.00 -0.34 0.00 0.00 43.02 43.14 1c2n s PHE 51 CO 0.80 -0.39 1.47 0.21 -1.46 0.00 0.00 175.22 175.84 1c2n s LYS 52 N 1.96 3.50 0.88 10.12 2.20 -1.26 -4.98 119.74 132.16 1c2n s LYS 52 Ca -0.07 -1.01 -0.15 0.00 -0.36 0.00 0.00 55.97 54.39 1c2n s LYS 52 Cb -0.06 -5.26 0.21 0.00 -1.51 0.00 0.00 37.83 31.21 1c2n s LYS 52 CO -0.17 -2.28 0.91 0.66 -0.36 0.00 0.00 175.35 174.12 1c2n n TYR 53 N 9.24 -3.80 -3.48 4.03 4.01 -1.26 -5.11 117.16 120.79 1c2n n TYR 53 Ca 0.31 -0.82 -0.19 0.00 -0.16 0.00 0.00 57.90 57.04 1c2n n TYR 53 Cb 0.51 -0.85 0.03 0.00 -0.31 0.00 0.00 39.34 38.71 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 -3.75 0.75 0.02 -0.72 5.02 -1.26 -5.06 118.16 113.16 1c2n n LYS 54 Ca 0.12 -2.73 -0.13 0.00 -2.02 0.00 0.00 58.31 53.55 1c2n n LYS 54 Cb 0.45 0.08 -0.01 0.00 -0.02 0.00 0.00 35.03 35.53 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 0.34 0.69 0.34 4.39 3.58 -1.97 -3.18 116.42 120.62 1c2n h ASP 55 Ca -0.26 -0.45 -0.02 0.00 0.42 0.00 0.00 57.03 56.73 1c2n h ASP 55 Cb 1.04 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.89 1c2n h ASP 55 CO 0.39 1.21 -0.17 0.77 -2.88 0.00 0.00 179.24 178.57 1c2n h SER 56 N 0.40 -0.39 -0.90 2.28 4.64 -1.85 0.90 113.55 118.63 1c2n h SER 56 Ca -0.04 0.01 0.11 0.00 -0.47 0.00 0.00 61.79 61.40 1c2n h SER 56 Cb 1.34 0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 63.46 1c2n h SER 56 CO 0.14 -0.26 0.58 -0.29 -0.87 0.00 0.00 176.83 176.13 1c2n h ILE 57 N -0.50 0.94 -0.20 0.95 2.10 -1.83 0.88 117.51 119.84 1c2n h ILE 57 Ca -0.05 -0.29 -0.12 0.00 1.08 0.00 0.00 64.86 65.48 1c2n h ILE 57 Cb 0.35 0.00 -0.00 0.00 -1.09 0.00 0.00 36.82 36.09 1c2n h ILE 57 CO 0.08 0.16 -0.33 0.58 -1.08 0.00 0.00 178.15 177.55 1c2n h VAL 58 N 0.86 1.33 -0.84 2.19 2.07 -1.55 0.36 116.25 120.67 1c2n h VAL 58 Ca 0.43 -1.55 0.03 0.00 0.82 0.00 0.00 66.70 66.42 1c2n h VAL 58 Cb 0.47 1.84 -0.05 0.00 -1.52 0.00 0.00 31.29 32.04 1c2n h VAL 58 CO -0.19 0.48 0.54 0.00 0.02 0.00 0.00 177.57 178.42 1c2n h ALA 59 N 0.61 1.10 0.25 1.67 0.00 0.11 0.15 119.26 123.15 1c2n h ALA 59 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1c2n h ALA 59 Cb 0.92 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1c2n h ALA 59 CO 0.08 0.38 -0.12 1.25 0.00 0.00 0.00 179.25 180.84 1c2n h LEU 60 N 1.06 -0.28 -0.79 0.00 5.85 -0.70 -2.82 115.31 117.63 1c2n h LEU 60 Ca 0.33 0.01 0.18 0.00 0.84 0.00 0.00 57.88 59.24 1c2n h LEU 60 Cb -0.01 0.07 -0.14 0.00 0.37 0.00 0.00 40.66 40.95 1c2n h LEU 60 CO -0.11 -0.20 -0.06 1.23 -0.34 0.00 0.00 178.44 178.96 1c2n h GLY 61 N -0.33 0.79 0.83 3.75 0.00 0.08 -0.71 103.07 107.48 1c2n h GLY 61 Ca -0.03 0.16 0.15 0.00 0.00 0.00 0.00 47.33 47.61 1c2n h GLY 61 CO 0.06 -0.31 0.44 0.00 0.00 0.00 0.00 176.54 176.72 1c2n h ALA 62 N 1.76 2.37 0.00 3.60 0.00 -0.48 0.27 119.26 126.78 1c2n h ALA 62 Ca 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1c2n h ALA 62 Cb 0.73 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1c2n h ALA 62 CO -0.74 -0.71 0.00 -1.13 0.00 0.00 0.00 179.25 176.67 1c2n n SER 63 N -4.07 0.00 -0.11 0.00 3.41 -0.27 -4.79 113.62 107.79 1c2n n SER 63 Ca 0.10 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 58.10 1c2n n SER 63 Cb 0.66 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 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 0.34 1.06 3.58 5.00 0.00 0.87 -4.99 105.19 111.04 1c2n n GLY 64 Ca 0.15 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.21 2.70 -0.26 1.61 5.36 -0.63 -4.93 117.98 119.61 1c2n s PHE 65 Ca 0.00 -1.40 -0.29 0.00 -0.96 0.00 0.00 56.93 54.28 1c2n s PHE 65 Cb 0.00 -4.70 -0.01 0.00 -0.34 0.00 0.00 43.02 37.97 1c2n s PHE 65 CO 0.00 -1.77 1.44 0.00 -1.46 0.00 0.00 175.22 173.42 1c2n s ALA 66 N 4.82 3.33 0.53 11.12 0.00 -1.26 -0.82 121.76 139.48 1c2n s ALA 66 Ca 0.55 0.27 -0.21 0.00 0.00 0.00 0.00 51.96 52.56 1c2n s ALA 66 Cb 0.03 -3.81 -0.06 0.00 0.00 0.00 0.00 23.12 19.28 1c2n s ALA 66 CO 0.07 -1.84 1.13 0.91 0.00 0.00 0.00 175.76 176.02 1c2n n TRP 67 N 7.97 1.49 -4.39 0.00 5.03 0.09 -4.81 117.44 122.82 1c2n n TRP 67 Ca 0.16 0.46 -0.20 0.00 3.03 0.00 0.00 57.50 60.96 1c2n n TRP 67 Cb 0.46 -2.25 -0.10 0.00 -1.03 0.00 0.00 31.31 28.39 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 -1.37 1.51 0.26 -0.99 -4.23 -1.26 0.16 115.64 109.73 1c2n s THR 68 Ca 0.71 -2.12 -0.02 0.00 -1.18 0.00 0.00 61.69 59.08 1c2n s THR 68 Cb -0.45 -2.34 0.26 0.00 1.34 0.00 0.00 72.50 71.31 1c2n s THR 68 CO 0.51 -0.37 1.85 1.05 -0.54 0.00 0.00 174.62 177.12 1c2n h GLU 69 N 2.38 1.00 0.19 3.99 9.09 -1.96 0.16 114.58 129.43 1c2n h GLU 69 Ca -0.39 -0.06 -0.01 0.00 0.05 0.00 0.00 59.36 58.95 1c2n h GLU 69 Cb 1.23 -0.23 0.00 0.00 -1.65 0.00 0.00 28.75 28.10 1c2n h GLU 69 CO 0.66 0.66 -0.09 0.93 0.05 0.00 0.00 179.01 181.22 1c2n h GLU 70 N 1.03 -0.25 -0.43 1.06 5.08 -1.96 0.22 114.58 119.33 1c2n h GLU 70 Ca 0.44 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1c2n h GLU 70 Cb 0.30 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1c2n h GLU 70 CO -0.21 0.01 0.25 -0.44 -1.00 0.00 0.00 179.01 177.62 1c2n h ASP 71 N -0.49 0.52 0.11 1.42 3.32 -1.82 -0.42 116.42 119.06 1c2n h ASP 71 Ca -0.03 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 56.98 1c2n h ASP 71 Cb 0.37 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1c2n h ASP 71 CO 0.04 0.43 -0.22 0.40 -1.72 0.00 0.00 179.24 178.17 1c2n h ILE 72 N 0.56 0.51 -0.56 0.35 1.08 -0.66 0.16 117.51 118.95 1c2n h ILE 72 Ca 0.15 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.72 1c2n h ILE 72 Cb 0.01 0.51 -0.08 0.00 -3.07 0.00 0.00 36.82 34.19 1c2n h ILE 72 CO -0.03 0.00 0.11 0.00 -0.69 0.00 0.00 178.15 177.54 1c2n h ALA 73 N 0.37 0.64 0.49 1.87 0.00 -0.66 -0.29 119.26 121.68 1c2n h ALA 73 Ca 0.03 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1c2n h ALA 73 Cb 0.43 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1c2n h ALA 73 CO -0.12 -0.31 -0.24 1.15 0.00 0.00 0.00 179.25 179.73 1c2n h THR 74 N 0.24 0.49 -0.79 0.00 2.02 -0.64 -3.15 112.91 111.09 1c2n h THR 74 Ca 0.29 -0.19 0.17 0.00 0.77 0.00 0.00 66.41 67.45 1c2n h THR 74 Cb 0.42 0.58 -0.11 0.00 -1.74 0.00 0.00 68.15 67.29 1c2n h THR 74 CO -0.38 0.03 0.26 0.22 0.37 0.00 0.00 175.52 176.02 1c2n h TYR 75 N -0.78 0.43 -0.60 3.16 3.20 -0.16 0.23 116.97 122.46 1c2n h TYR 75 Ca -0.07 0.04 0.16 0.00 3.14 0.00 0.00 58.73 62.01 1c2n h TYR 75 Cb 0.56 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.74 1c2n h TYR 75 CO -0.02 -0.04 0.42 0.28 -1.64 0.00 0.00 178.16 177.17 1c2n h VAL 76 N 0.35 0.72 0.00 1.81 2.07 -1.02 -0.61 116.25 119.56 1c2n h VAL 76 Ca 0.45 -0.02 -0.21 0.00 0.82 0.00 0.00 66.70 67.74 1c2n h VAL 76 Cb 0.78 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1c2n h VAL 76 CO -0.49 0.01 -1.88 0.29 0.02 0.00 0.00 177.57 175.52 1c2n n LYS 77 N -4.38 0.65 -3.14 1.57 5.02 0.56 -0.85 118.16 117.60 1c2n n LYS 77 Ca 0.11 0.07 -0.24 0.00 -2.02 0.00 0.00 58.31 56.23 1c2n n LYS 77 Cb 0.64 -1.65 -0.05 0.00 -0.02 0.00 0.00 35.03 33.94 1c2n n LYS 77 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1c2n n ASP 78 N -2.73 2.88 -4.77 4.39 8.00 0.22 -4.72 116.55 119.82 1c2n n ASP 78 Ca -0.17 -3.34 -0.39 0.00 0.71 0.00 0.00 54.79 51.60 1c2n n ASP 78 Cb 0.91 -0.61 -0.01 0.00 -0.02 0.00 0.00 41.12 41.39 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 -2.69 4.00 0.00 -0.24 0.04 -0.88 -0.87 135.00 134.36 1c2n s PRO 79 Ca 0.43 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.49 1c2n s PRO 79 Cb 0.25 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1c2n s PRO 79 CO -0.09 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 176.94 1c2n n GLY 80 N 0.67 1.64 0.28 0.56 0.00 -1.26 -4.44 105.19 102.64 1c2n n GLY 80 Ca 0.04 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.03 4.61 0.00 -1.81 0.17 119.26 123.22 1c2n h ALA 81 Ca 0.00 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1c2n h ALA 81 Cb 0.00 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1c2n h ALA 81 CO 0.00 -0.33 -0.20 0.35 0.00 0.00 0.00 179.25 179.07 1c2n h PHE 82 N 0.30 -0.53 0.33 0.00 3.57 -1.22 0.38 116.94 119.78 1c2n h PHE 82 Ca 0.43 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.94 1c2n h PHE 82 Cb 0.75 0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1c2n h PHE 82 CO -0.24 -0.28 -0.17 -0.07 -2.23 0.00 0.00 178.31 175.31 1c2n h LEU 83 N -0.31 -0.42 -0.59 0.59 4.07 -1.15 -2.60 115.31 114.89 1c2n h LEU 83 Ca 0.07 0.02 0.12 0.00 0.08 0.00 0.00 57.88 58.17 1c2n h LEU 83 Cb 0.40 0.12 -0.11 0.00 1.08 0.00 0.00 40.66 42.14 1c2n h LEU 83 CO -0.21 -0.29 -0.18 0.11 -1.08 0.00 0.00 178.44 176.80 1c2n h LYS 84 N -0.47 -0.03 0.02 1.13 1.57 -0.54 0.21 116.57 118.46 1c2n h LYS 84 Ca -0.04 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1c2n h LYS 84 Cb 0.37 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 1c2n h LYS 84 CO 0.06 -0.02 -0.46 1.49 -0.57 0.00 0.00 179.45 179.94 1c2n h GLU 85 N -0.03 -0.60 0.09 3.15 4.81 -0.75 0.31 114.58 121.56 1c2n h GLU 85 Ca 0.28 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1c2n h GLU 85 Cb 0.46 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1c2n h GLU 85 CO -0.63 -0.40 -0.05 0.87 -0.73 0.00 0.00 179.01 178.07 1c2n h LYS 86 N -0.63 -0.12 0.00 1.92 1.79 -1.04 -3.34 116.57 115.15 1c2n h LYS 86 Ca 0.03 0.01 -0.12 0.00 -2.18 0.00 0.00 60.65 58.39 1c2n h LYS 86 Cb 0.69 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.35 1c2n h LYS 86 CO -0.32 0.24 -0.55 1.25 -1.08 0.00 0.00 179.45 178.98 1c2n h LEU 87 N -0.50 0.00 -2.36 2.94 5.85 -0.57 -3.48 115.31 117.18 1c2n h LEU 87 Ca -0.01 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.34 1c2n h LEU 87 Cb 0.41 0.00 0.11 0.00 0.37 0.00 0.00 40.66 41.56 1c2n h LEU 87 CO 0.02 0.55 -0.87 -0.67 -0.34 0.00 0.00 178.44 177.14 1c2n n ASP 88 N -3.24 -3.87 -3.91 1.25 2.03 0.11 -5.02 116.55 103.89 1c2n n ASP 88 Ca 0.02 -0.83 -0.17 0.00 0.52 0.00 0.00 54.79 54.33 1c2n n ASP 88 Cb 0.75 -4.25 -0.15 0.00 -0.72 0.00 0.00 41.12 36.76 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 -3.85 0.60 0.19 1.67 2.15 -1.25 -5.06 116.67 111.12 1c2n s ASP 89 Ca 0.26 -0.08 -0.10 0.00 0.43 0.00 0.00 52.55 53.06 1c2n s ASP 89 Cb -0.06 -0.17 0.10 0.00 -0.30 0.00 0.00 42.92 42.48 1c2n s ASP 89 CO 0.80 0.01 1.72 0.50 -0.17 0.00 0.00 175.17 178.03 1c2n h LYS 90 N 6.50 1.02 -0.80 4.34 3.64 -1.95 -2.86 116.57 126.46 1c2n h LYS 90 Ca -0.33 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1c2n h LYS 90 Cb 1.17 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1c2n h LYS 90 CO 0.49 0.88 0.00 0.36 -2.27 0.00 0.00 179.45 178.92 1c2n n LYS 91 N -4.35 2.05 -1.66 1.90 2.85 -1.26 -4.68 118.16 113.00 1c2n n LYS 91 Ca 0.04 -0.89 -0.42 0.00 -1.05 0.00 0.00 58.31 56.00 1c2n n LYS 91 Cb 0.21 -1.65 -0.01 0.00 -0.65 0.00 0.00 35.03 32.93 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 0.17 5.06 -3.14 0.58 0.00 -1.08 -4.74 120.51 117.36 1c2n n ALA 92 Ca 0.08 -3.77 -0.33 0.00 0.00 0.00 0.00 53.44 49.41 1c2n n ALA 92 Cb 0.48 -3.56 -0.14 0.00 0.00 0.00 0.00 19.45 16.23 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 3.57 3.41 0.55 0.00 1.02 -1.26 -4.04 119.74 122.99 1c2n s LYS 93 Ca 0.49 -0.66 -0.11 0.00 0.02 0.00 0.00 55.97 55.71 1c2n s LYS 93 Cb 0.14 -2.71 -0.05 0.00 -0.52 0.00 0.00 37.83 34.69 1c2n s LYS 93 CO -0.05 0.15 0.94 -0.08 -0.92 0.00 0.00 175.35 175.40 1c2n s THR 94 N 0.52 4.73 0.28 2.17 -1.32 -1.26 -4.68 115.64 116.08 1c2n s THR 94 Ca -0.08 0.77 0.37 0.00 -1.21 0.00 0.00 61.69 61.54 1c2n s THR 94 Cb -0.15 -3.83 0.41 0.00 -1.51 0.00 0.00 72.50 67.41 1c2n s THR 94 CO 0.04 -0.94 2.11 1.23 -2.21 0.00 0.00 174.62 174.85 1c2n h GLY 95 N 0.17 0.00 -7.37 6.08 0.00 -2.00 -3.40 103.07 96.54 1c2n h GLY 95 Ca -0.45 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.59 1c2n h GLY 95 CO 0.62 0.00 0.88 -0.29 0.00 0.00 0.00 176.54 177.75 1c2n s MET 96 N -3.83 2.37 -1.23 4.80 -2.45 -1.26 -4.81 119.30 112.90 1c2n s MET 96 Ca -0.01 -0.87 -0.09 0.00 -1.25 0.00 0.00 55.69 53.48 1c2n s MET 96 Cb 0.10 -5.17 -0.11 0.00 1.25 0.00 0.00 34.83 30.90 1c2n s MET 96 CO 0.49 -3.99 3.07 0.00 1.05 0.00 0.00 175.02 175.65 1c2n n ALA 97 N 14.85 7.25 -3.52 4.11 0.00 -1.26 -4.73 120.51 137.21 1c2n n ALA 97 Ca 0.44 -3.18 -0.18 0.00 0.00 0.00 0.00 53.44 50.52 1c2n n ALA 97 Cb 0.47 -3.09 -0.06 0.00 0.00 0.00 0.00 19.45 16.77 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 1.63 -0.66 0.30 0.00 5.36 -1.26 -5.19 117.98 118.16 1c2n s PHE 98 Ca 0.68 1.14 -0.16 0.00 -0.96 0.00 0.00 56.93 57.63 1c2n s PHE 98 Cb 0.21 0.41 0.02 0.00 -0.34 0.00 0.00 43.02 43.32 1c2n s PHE 98 CO -0.05 -0.60 0.64 -1.59 -1.46 0.00 0.00 175.22 172.16 1c2n s LYS 99 N -1.15 1.82 -0.13 10.12 -2.85 -1.26 -4.72 119.74 121.57 1c2n s LYS 99 Ca -0.10 -1.24 -0.04 0.00 -1.00 0.00 0.00 55.97 53.59 1c2n s LYS 99 Cb -0.00 0.55 0.06 0.00 -2.06 0.00 0.00 37.83 36.38 1c2n s LYS 99 CO 0.10 -0.81 0.16 -1.17 0.10 0.00 0.00 175.35 173.73 1c2n s LEU 100 N -3.01 -0.02 -0.02 2.77 2.96 -0.03 -5.01 118.68 116.33 1c2n s LEU 100 Ca 0.17 0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 54.08 1c2n s LEU 100 Cb -0.04 0.22 -0.14 0.00 0.50 0.00 0.00 46.19 46.73 1c2n s LEU 100 CO 0.10 -0.28 2.89 0.00 -1.32 0.00 0.00 176.35 177.73 1c2n n ALA 101 N 5.32 5.36 0.00 5.97 0.00 -1.26 -3.85 120.51 132.04 1c2n n ALA 101 Ca -0.05 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.30 1c2n n ALA 101 Cb 0.50 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 1.99 -1.69 0.00 0.00 2.85 -1.26 -5.05 118.16 115.00 1c2n n LYS 102 Ca 0.25 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.51 1c2n n LYS 102 Cb 0.73 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.11 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 -0.06 1.08 0.09 2.58 0.00 -1.26 -4.77 105.19 102.86 1c2n n GLY 103 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.52 0.15 -0.02 0.00 -1.26 0.01 105.19 103.55 1c2n n GLY 104 Ca 0.00 0.27 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.28 -0.26 1.61 9.09 -1.86 0.19 114.58 123.07 1c2n h GLU 105 Ca 0.08 0.02 0.03 0.00 0.05 0.00 0.00 59.36 59.53 1c2n h GLU 105 Cb 0.14 0.06 -0.03 0.00 -1.65 0.00 0.00 28.75 27.27 1c2n h GLU 105 CO -0.24 -0.11 0.08 -0.44 0.05 0.00 0.00 179.01 178.36 1c2n h ASP 106 N -0.40 0.09 -0.39 3.06 3.32 -0.69 -0.12 116.42 121.29 1c2n h ASP 106 Ca -0.03 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1c2n h ASP 106 Cb 0.30 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1c2n h ASP 106 CO 0.05 0.08 0.23 0.58 -1.72 0.00 0.00 179.24 178.47 1c2n h VAL 107 N 0.20 1.05 -0.48 -1.35 2.07 -0.71 0.88 116.25 117.91 1c2n h VAL 107 Ca 0.12 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1c2n h VAL 107 Cb 0.09 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1c2n h VAL 107 CO -0.12 0.09 0.27 0.00 0.02 0.00 0.00 177.57 177.82 1c2n h ALA 108 N 1.17 0.62 -0.63 1.67 0.00 -0.11 0.14 119.26 122.11 1c2n h ALA 108 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1c2n h ALA 108 Cb -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1c2n h ALA 108 CO -0.06 -0.05 0.41 0.00 0.00 0.00 0.00 179.25 179.54 1c2n h ALA 109 N 1.23 0.81 -0.04 0.00 0.00 -0.60 0.54 119.26 121.20 1c2n h ALA 109 Ca 0.20 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1c2n h ALA 109 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1c2n h ALA 109 CO -0.11 0.21 -0.04 -0.92 0.00 0.00 0.00 179.25 178.39 1c2n h TYR 110 N 0.84 -0.09 -0.45 0.00 3.20 0.03 0.66 116.97 121.15 1c2n h TYR 110 Ca 0.24 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.15 1c2n h TYR 110 Cb -0.07 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.21 1c2n h TYR 110 CO -0.03 -0.06 0.24 -0.07 -1.64 0.00 0.00 178.16 176.59 1c2n h LEU 111 N -0.05 0.36 -0.95 2.82 3.38 -0.39 0.31 115.31 120.79 1c2n h LEU 111 Ca 0.03 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1c2n h LEU 111 Cb 0.09 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 1c2n h LEU 111 CO -0.07 0.25 0.60 0.00 0.09 0.00 0.00 178.44 179.32 1c2n h ALA 112 N 1.23 1.31 -0.38 1.53 0.00 -0.58 -0.96 119.26 121.41 1c2n h ALA 112 Ca 0.19 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 1c2n h ALA 112 Cb 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1c2n h ALA 112 CO -0.12 0.38 -0.33 0.77 0.00 0.00 0.00 179.25 179.95 1c2n h SER 113 N 1.10 0.89 -0.65 0.00 0.02 0.41 -3.24 113.55 112.08 1c2n h SER 113 Ca 0.41 -0.38 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1c2n h SER 113 Cb 0.16 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1c2n h SER 113 CO -0.17 1.14 0.32 0.58 -1.14 0.00 0.00 176.83 177.56 1c2n h VAL 114 N 0.71 1.22 -0.42 2.27 2.07 0.72 -3.37 116.25 119.45 1c2n h VAL 114 Ca 0.07 -0.61 -0.29 0.00 0.82 0.00 0.00 66.70 66.70 1c2n h VAL 114 Cb 0.89 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1c2n h VAL 114 CO 0.08 0.25 0.92 0.54 0.02 0.00 0.00 177.57 179.38 1c2n s VAL 115 N -5.73 3.47 0.00 2.57 0.11 -0.48 -4.86 120.40 115.48 1c2n s VAL 115 Ca -0.13 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.13 1c2n s VAL 115 Cb 0.14 -4.48 0.00 0.00 -1.53 0.00 0.00 36.38 30.51 1c2n s VAL 115 CO 0.79 -0.86 0.37 2.29 -3.33 0.00 0.00 175.10 174.36