#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 6.04 0.43 1.61 -1.08 -1.26 -4.79 116.67 117.63 1c2n s ASP 2 Ca 0.00 -0.89 0.20 0.00 -0.52 0.00 0.00 52.55 51.33 1c2n s ASP 2 Cb 0.00 -2.56 1.15 0.00 -1.46 0.00 0.00 42.92 40.05 1c2n s ASP 2 CO 0.00 -1.91 1.85 0.00 0.52 0.00 0.00 175.17 175.63 1c2n h ALA 3 N 10.63 2.31 0.39 3.66 0.00 -1.89 0.77 119.26 135.13 1c2n h ALA 3 Ca 0.02 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1c2n h ALA 3 Cb 1.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1c2n h ALA 3 CO 1.33 -0.61 -0.19 0.00 0.00 0.00 0.00 179.25 179.79 1c2n h ALA 4 N 1.60 -0.52 -0.91 0.00 0.00 -1.89 0.12 119.26 117.66 1c2n h ALA 4 Ca 0.48 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.29 1c2n h ALA 4 Cb 1.31 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 19.23 1c2n h ALA 4 CO -0.17 -0.67 0.57 0.87 0.00 0.00 0.00 179.25 179.85 1c2n h LYS 5 N -0.76 0.98 -0.35 0.00 1.57 -1.76 -1.71 116.57 114.54 1c2n h LYS 5 Ca -0.05 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.74 1c2n h LYS 5 Cb 0.52 -0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.55 1c2n h LYS 5 CO 0.09 0.65 -0.05 0.78 -0.57 0.00 0.00 179.45 180.35 1c2n h GLY 6 N 1.01 0.29 0.50 3.86 0.00 -0.64 0.14 103.07 108.23 1c2n h GLY 6 Ca 0.41 0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.85 1c2n h GLY 6 CO -0.19 -0.11 -0.16 -2.09 0.00 0.00 0.00 176.54 173.99 1c2n h GLU 7 N 0.04 -0.22 0.17 4.80 4.81 -0.01 0.76 114.58 124.92 1c2n h GLU 7 Ca 0.17 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1c2n h GLU 7 Cb 0.25 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1c2n h GLU 7 CO -0.33 -0.14 -0.18 0.87 -0.73 0.00 0.00 179.01 178.50 1c2n h LYS 8 N -0.23 -0.36 -0.11 1.92 1.57 -0.50 -2.25 116.57 116.61 1c2n h LYS 8 Ca 0.08 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1c2n h LYS 8 Cb 0.34 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1c2n h LYS 8 CO -0.22 -0.24 0.11 0.93 -0.57 0.00 0.00 179.45 179.46 1c2n h GLU 9 N -0.38 0.00 0.00 3.15 5.08 -0.47 -0.20 114.58 121.76 1c2n h GLU 9 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1c2n h GLU 9 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1c2n h GLU 9 CO -0.05 0.00 0.16 0.35 -1.00 0.00 0.00 179.01 178.47 1c2n h PHE 10 N 0.00 0.00 -0.76 4.33 3.57 -0.21 0.47 116.94 124.34 1c2n h PHE 10 Ca 0.05 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.73 1c2n h PHE 10 Cb 0.28 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 1c2n h PHE 10 CO 0.00 0.00 0.52 -2.95 -2.23 0.00 0.00 178.31 173.65 1c2n h ASN 11 N 0.00 0.26 0.20 0.41 -1.07 -1.15 0.10 115.58 114.32 1c2n h ASN 11 Ca 0.00 0.02 -0.01 0.00 0.07 0.00 0.00 56.30 56.38 1c2n h ASN 11 Cb 0.32 -0.03 0.00 0.00 -2.07 0.00 0.00 38.32 36.54 1c2n h ASN 11 CO 0.00 0.12 -0.09 0.11 0.07 0.00 0.00 177.43 177.64 1c2n h LYS 12 N 0.27 -0.26 -0.72 4.14 1.57 -1.13 -3.23 116.57 117.21 1c2n h LYS 12 Ca 0.38 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.31 1c2n h LYS 12 Cb 1.08 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 33.36 1c2n h LYS 12 CO -0.09 0.09 0.25 0.00 -0.57 0.00 0.00 179.45 179.14 1c2n h LYS 14 N 0.39 0.03 -0.95 0.00 3.64 -0.88 0.13 116.57 118.92 1c2n h LYS 14 Ca 0.39 -0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.94 1c2n h LYS 14 Cb 0.59 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.32 1c2n h LYS 14 CO -0.41 0.02 0.60 1.15 -2.27 0.00 0.00 179.45 178.55 1c2n h THR 15 N 0.03 0.76 0.00 1.00 2.02 -1.24 -2.50 112.91 112.98 1c2n h THR 15 Ca 0.58 -0.24 -0.14 0.00 0.77 0.00 0.00 66.41 67.38 1c2n h THR 15 Cb 2.27 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 1c2n h THR 15 CO -0.03 0.13 -1.55 0.00 0.37 0.00 0.00 175.52 174.44 1c2n n HIS 17 N -2.80 -2.62 -3.99 0.00 8.25 0.28 0.18 115.22 114.51 1c2n n HIS 17 Ca -0.17 -0.88 -0.10 0.00 -0.26 0.00 0.00 57.72 56.30 1c2n n HIS 17 Cb 0.68 -0.23 -0.04 0.00 1.12 0.00 0.00 29.99 31.52 1c2n n HIS 17 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1c2n s SER 18 N -2.48 0.16 -0.04 0.41 0.01 -1.17 -1.77 113.70 108.82 1c2n s SER 18 Ca 0.25 -1.08 0.01 0.00 1.31 0.00 0.00 55.95 56.43 1c2n s SER 18 Cb -0.02 0.64 0.02 0.00 0.21 0.00 0.00 66.02 66.87 1c2n s SER 18 CO 0.16 -1.26 -0.04 -0.63 0.41 0.00 0.00 173.24 171.88 1c2n s ILE 19 N -3.57 0.48 0.05 1.44 1.01 -1.20 -2.86 121.20 116.55 1c2n s ILE 19 Ca 0.23 -0.12 0.08 0.00 0.00 0.00 0.00 60.65 60.84 1c2n s ILE 19 Cb -0.01 -0.50 -0.03 0.00 0.01 0.00 0.00 42.46 41.93 1c2n s ILE 19 CO 0.12 0.20 -0.19 -0.51 0.00 0.00 0.00 174.94 174.56 1c2n s ILE 20 N 0.75 2.69 0.66 2.92 1.10 -1.26 -1.19 121.20 126.87 1c2n s ILE 20 Ca -0.10 -1.24 -0.11 0.00 -0.51 0.00 0.00 60.65 58.69 1c2n s ILE 20 Cb -0.13 -2.13 -0.01 0.00 0.15 0.00 0.00 42.46 40.34 1c2n s ILE 20 CO -0.00 0.32 1.05 0.00 -2.11 0.00 0.00 174.94 174.20 1c2n s ALA 21 N -0.92 2.87 0.36 1.50 0.00 0.49 -4.85 121.76 121.20 1c2n s ALA 21 Ca 0.14 0.01 0.08 0.00 0.00 0.00 0.00 51.96 52.19 1c2n s ALA 21 Cb -0.10 -3.13 0.80 0.00 0.00 0.00 0.00 23.12 20.68 1c2n s ALA 21 CO 0.05 -0.99 1.89 -1.35 0.00 0.00 0.00 175.76 175.36 1c2n h PRO 22 N -0.54 0.68 0.00 0.00 0.11 -1.90 0.12 132.00 130.46 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 1.20 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1c2n h PRO 22 CO 0.59 0.45 0.00 -0.25 -0.21 0.00 0.00 178.00 178.58 1c2n n ASP 23 N -4.53 0.00 0.00 -2.05 9.92 -1.26 -4.83 116.55 113.80 1c2n n ASP 23 Ca 0.16 -0.32 0.00 0.00 -0.53 0.00 0.00 54.79 54.09 1c2n n ASP 23 Cb 0.41 -0.07 0.00 0.00 -0.64 0.00 0.00 41.12 40.82 1c2n n ASP 23 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1c2n n GLY 24 N -0.09 2.97 3.68 0.44 0.00 0.41 -4.99 105.19 107.60 1c2n n GLY 24 Ca 0.10 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 0.43 -2.11 2.61 -1.04 -1.26 -4.57 114.28 106.35 1c2n n THR 25 Ca 0.00 -0.08 -0.34 0.00 -2.04 0.00 0.00 64.05 61.59 1c2n n THR 25 Cb 0.00 -1.70 -0.04 0.00 -1.82 0.00 0.00 70.33 66.77 1c2n n THR 25 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1c2n n GLU 26 N 5.80 2.06 0.32 -2.82 1.02 -1.26 -0.38 120.64 125.38 1c2n n GLU 26 Ca 0.22 -2.63 -0.18 0.00 -0.02 0.00 0.00 57.16 54.55 1c2n n GLU 26 Cb 0.27 -3.58 -0.10 0.00 -0.02 0.00 0.00 31.44 28.01 1c2n n GLU 26 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1c2n h ILE 27 N 5.77 0.00 -3.18 -3.67 1.08 -1.87 -3.32 117.51 112.32 1c2n h ILE 27 Ca 0.31 0.00 -0.76 0.00 -0.39 0.00 0.00 64.86 64.02 1c2n h ILE 27 Cb 0.88 0.00 -0.24 0.00 -3.07 0.00 0.00 36.82 34.39 1c2n h ILE 27 CO 1.38 0.00 -0.18 -0.69 -0.69 0.00 0.00 178.15 177.97 1c2n s VAL 28 N -5.75 5.26 -1.11 1.67 1.01 -0.33 -4.96 120.40 116.19 1c2n s VAL 28 Ca -0.17 -1.62 -0.11 0.00 0.00 0.00 0.00 61.98 60.07 1c2n s VAL 28 Cb 0.04 -4.36 -0.07 0.00 0.00 0.00 0.00 36.38 31.99 1c2n s VAL 28 CO 0.58 -0.89 2.28 0.29 0.00 0.00 0.00 175.10 177.35 1c2n n LYS 29 N 5.09 2.42 0.00 2.72 5.02 -1.25 -3.22 118.16 128.94 1c2n n LYS 29 Ca -0.10 -1.84 0.00 0.00 -2.02 0.00 0.00 58.31 54.35 1c2n n LYS 29 Cb 0.41 -2.72 0.00 0.00 -0.02 0.00 0.00 35.03 32.70 1c2n n LYS 29 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1c2n n GLY 30 N 3.92 0.94 4.00 0.72 0.00 -1.26 -5.09 105.19 108.42 1c2n n GLY 30 Ca 0.54 -1.81 -0.21 0.00 0.00 0.00 0.00 46.02 44.55 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 -3.09 4.19 -0.21 4.61 0.00 -0.73 -4.87 121.76 121.67 1c2n s ALA 31 Ca 0.00 -1.75 0.13 0.00 0.00 0.00 0.00 51.96 50.34 1c2n s ALA 31 Cb 0.00 -1.79 0.44 0.00 0.00 0.00 0.00 23.12 21.77 1c2n s ALA 31 CO 0.00 -0.92 1.19 1.17 0.00 0.00 0.00 175.76 177.21 1c2n n LYS 32 N -2.38 1.97 0.01 0.00 3.00 -1.12 -3.04 118.16 116.61 1c2n n LYS 32 Ca 0.12 -3.39 -0.05 0.00 -0.00 0.00 0.00 58.31 54.99 1c2n n LYS 32 Cb 0.60 -1.58 0.16 0.00 0.00 0.00 0.00 35.03 34.21 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 2.63 1.29 -0.71 3.15 2.02 -0.59 -3.44 112.91 117.25 1c2n h THR 33 Ca 0.06 -1.44 -0.60 0.00 0.77 0.00 0.00 66.41 65.20 1c2n h THR 33 Cb 1.31 1.49 -0.08 0.00 -1.74 0.00 0.00 68.15 69.13 1c2n h THR 33 CO 0.25 0.45 -0.40 -0.83 0.37 0.00 0.00 175.52 175.37 1c2n s GLY 34 N -4.05 2.54 0.15 2.16 0.00 0.22 -4.98 107.32 103.36 1c2n s GLY 34 Ca -0.07 -1.18 -0.03 0.00 0.00 0.00 0.00 44.72 43.45 1c2n s GLY 34 CO 0.80 -2.00 0.10 -1.55 0.00 0.00 0.00 173.10 170.46 1c2n n PRO 35 N -1.53 -1.88 -3.94 2.90 -0.04 -1.26 -4.56 135.00 124.69 1c2n n PRO 35 Ca -0.06 -0.17 -0.33 0.00 -0.04 0.00 0.00 63.50 62.90 1c2n n PRO 35 Cb 0.65 -0.20 -0.14 0.00 -0.04 0.00 0.00 33.50 33.78 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 -2.00 4.91 0.00 3.54 2.47 -1.26 -3.66 114.94 118.94 1c2n s ASN 36 Ca 0.07 -2.01 0.12 0.00 0.42 0.00 0.00 52.86 51.47 1c2n s ASN 36 Cb -0.01 -1.69 0.74 0.00 -1.45 0.00 0.00 41.25 38.84 1c2n s ASN 36 CO 0.06 -0.41 1.16 0.18 -3.72 0.00 0.00 177.10 174.37 1c2n n LEU 37 N 4.40 0.00 -4.56 3.21 7.99 -1.14 -4.77 117.00 122.13 1c2n n LEU 37 Ca -0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 56.01 55.55 1c2n n LEU 37 Cb 0.42 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.69 1c2n n LEU 37 CO 0.26 0.00 1.85 0.00 -1.51 0.00 0.00 177.39 177.99 1c2n n TYR 38 N -0.95 1.87 -0.68 -1.77 9.36 -1.26 -0.53 117.16 123.20 1c2n n TYR 38 Ca 0.09 -0.04 0.00 0.00 3.32 0.00 0.00 57.90 61.27 1c2n n TYR 38 Cb 0.04 -2.69 0.00 0.00 -0.63 0.00 0.00 39.34 36.07 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 5.95 0.58 0.33 2.98 0.00 -1.26 -4.93 105.19 108.85 1c2n n GLY 39 Ca 0.33 -0.74 -0.02 0.00 0.00 0.00 0.00 46.02 45.59 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 1.22 -1.91 1.61 3.04 -1.12 -3.36 116.25 115.73 1c2n h VAL 40 Ca 0.00 -0.60 -0.55 0.00 -1.01 0.00 0.00 66.70 64.54 1c2n h VAL 40 Cb 0.00 0.32 0.00 0.00 -2.01 0.00 0.00 31.29 29.60 1c2n h VAL 40 CO 0.00 0.26 1.53 -0.69 -1.01 0.00 0.00 177.57 177.65 1c2n s VAL 41 N -5.59 3.02 0.00 1.51 1.01 -1.26 -0.43 120.40 118.66 1c2n s VAL 41 Ca -0.11 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1c2n s VAL 41 Cb 0.17 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.51 1c2n s VAL 41 CO 0.80 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.48 1c2n n GLY 42 N 5.83 0.78 3.81 4.51 0.00 0.12 -5.01 105.19 115.23 1c2n n GLY 42 Ca 0.31 0.00 -0.38 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 -0.70 4.04 0.11 1.61 3.00 0.42 -4.62 118.95 122.81 1c2n s ARG 43 Ca 0.00 0.47 -0.33 0.00 -1.00 0.00 0.00 55.73 54.87 1c2n s ARG 43 Cb 0.00 -3.26 -0.13 0.00 0.00 0.00 0.00 34.95 31.56 1c2n s ARG 43 CO 0.00 0.59 1.70 2.41 0.00 0.00 0.00 175.30 179.99 1c2n n THR 44 N 2.14 0.18 -1.66 4.11 -1.04 -1.26 -1.06 114.28 115.68 1c2n n THR 44 Ca -0.12 -0.03 -0.38 0.00 -2.04 0.00 0.00 64.05 61.48 1c2n n THR 44 Cb 0.52 -1.74 0.06 0.00 -1.82 0.00 0.00 70.33 67.34 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 4.48 0.61 -3.35 2.41 0.00 0.01 -3.42 120.51 121.25 1c2n n ALA 45 Ca 0.18 0.02 -0.18 0.00 0.00 0.00 0.00 53.44 53.46 1c2n n ALA 45 Cb 0.31 -2.20 0.07 0.00 0.00 0.00 0.00 19.45 17.63 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 1.12 -0.27 0.00 0.00 0.00 -1.26 -4.14 105.19 100.64 1c2n n GLY 46 Ca 0.14 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1c2n n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1c2n n THR 47 N -4.34 0.00 -2.20 2.61 -2.24 -1.22 -4.77 114.28 102.12 1c2n n THR 47 Ca -0.05 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.31 1c2n n THR 47 Cb 0.57 1.69 -0.03 0.00 -2.10 0.00 0.00 70.33 70.46 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 0.00 3.23 0.74 4.78 5.04 -1.26 -4.95 117.35 124.93 1c2n s TYR 48 Ca 0.00 1.22 -0.16 0.00 -2.44 0.00 0.00 57.07 55.69 1c2n s TYR 48 Cb 0.00 -3.62 -0.04 0.00 0.35 0.00 0.00 41.96 38.65 1c2n s TYR 48 CO 0.00 -1.93 0.43 -2.30 -1.34 0.00 0.00 175.55 170.41 1c2n n PRO 49 N 2.52 0.22 -3.77 4.97 -0.02 -1.26 -3.98 135.00 133.68 1c2n n PRO 49 Ca 0.06 0.11 -0.34 0.00 -2.02 0.00 0.00 63.50 61.31 1c2n n PRO 49 Cb 0.43 -1.75 0.04 0.00 -0.02 0.00 0.00 33.50 32.19 1c2n n PRO 49 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1c2n n GLU 50 N -0.57 -0.98 -3.61 -0.52 1.02 -1.26 -4.90 120.64 109.82 1c2n n GLU 50 Ca 0.09 0.40 -0.06 0.00 -0.02 0.00 0.00 57.16 57.57 1c2n n GLU 50 Cb 0.50 -3.66 -0.07 0.00 -0.02 0.00 0.00 31.44 28.19 1c2n n GLU 50 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1c2n s PHE 51 N -3.44 -0.99 -1.23 -0.32 5.36 -1.26 -5.01 117.98 111.10 1c2n s PHE 51 Ca 0.45 1.72 -0.21 0.00 -0.96 0.00 0.00 56.93 57.93 1c2n s PHE 51 Cb -0.18 0.44 -0.02 0.00 -0.34 0.00 0.00 43.02 42.92 1c2n s PHE 51 CO 0.89 -0.57 1.85 0.21 -1.46 0.00 0.00 175.22 176.14 1c2n s LYS 52 N 2.70 3.15 1.19 10.12 2.47 -1.26 -4.97 119.74 133.15 1c2n s LYS 52 Ca -0.01 -1.52 -0.18 0.00 -1.56 0.00 0.00 55.97 52.69 1c2n s LYS 52 Cb -0.12 -5.37 0.28 0.00 -1.46 0.00 0.00 37.83 31.15 1c2n s LYS 52 CO -0.15 -3.22 1.08 0.71 0.16 0.00 0.00 175.35 173.93 1c2n s TYR 53 N 8.04 0.67 0.43 4.03 2.02 -1.26 -5.08 117.35 126.19 1c2n s TYR 53 Ca 0.62 0.61 0.08 0.00 -0.37 0.00 0.00 57.07 58.00 1c2n s TYR 53 Cb 0.01 -3.35 -0.02 0.00 -0.40 0.00 0.00 41.96 38.21 1c2n s TYR 53 CO 0.11 -3.85 0.37 0.15 -1.57 0.00 0.00 175.55 170.76 1c2n s LYS 54 N -5.26 2.49 0.15 -0.62 -0.14 -1.26 -5.01 119.74 110.08 1c2n s LYS 54 Ca 0.70 -1.59 -0.17 0.00 -1.36 0.00 0.00 55.97 53.55 1c2n s LYS 54 Cb -0.12 -2.34 -0.00 0.00 -1.68 0.00 0.00 37.83 33.69 1c2n s LYS 54 CO 0.57 -0.22 1.80 0.22 -0.76 0.00 0.00 175.35 176.96 1c2n h ASP 55 N 1.03 0.42 0.45 2.83 3.58 -1.98 -2.12 116.42 120.62 1c2n h ASP 55 Ca -0.41 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.00 1c2n h ASP 55 Cb 1.27 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.22 1c2n h ASP 55 CO 0.58 0.31 -0.21 0.77 -2.88 0.00 0.00 179.24 177.80 1c2n h SER 56 N 0.49 -0.51 -0.82 2.28 4.64 -1.90 0.90 113.55 118.63 1c2n h SER 56 Ca 0.13 0.02 0.13 0.00 -0.47 0.00 0.00 61.79 61.60 1c2n h SER 56 Cb -0.05 0.13 -0.09 0.00 -0.31 0.00 0.00 62.40 62.08 1c2n h SER 56 CO -0.03 -0.35 0.42 -0.29 -0.87 0.00 0.00 176.83 175.71 1c2n h ILE 57 N -0.62 0.77 -0.28 0.95 -0.00 -1.79 0.15 117.51 116.68 1c2n h ILE 57 Ca -0.06 -0.22 -0.06 0.00 -0.00 0.00 0.00 64.86 64.52 1c2n h ILE 57 Cb 0.46 0.08 -0.01 0.00 -0.00 0.00 0.00 36.82 37.35 1c2n h ILE 57 CO 0.10 0.12 -0.06 0.58 -0.00 0.00 0.00 178.15 178.89 1c2n h VAL 58 N 0.63 1.28 -0.80 2.19 2.07 -1.35 -0.70 116.25 119.57 1c2n h VAL 58 Ca 0.43 -1.07 0.05 0.00 0.82 0.00 0.00 66.70 66.93 1c2n h VAL 58 Cb 0.56 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 1c2n h VAL 58 CO -0.33 0.34 0.49 0.00 0.02 0.00 0.00 177.57 178.09 1c2n h ALA 59 N 0.79 1.08 -0.26 1.67 0.00 0.07 0.20 119.26 122.80 1c2n h ALA 59 Ca 0.07 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1c2n h ALA 59 Cb 0.53 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1c2n h ALA 59 CO 0.03 0.24 0.09 1.25 0.00 0.00 0.00 179.25 180.86 1c2n h LEU 60 N 0.91 0.10 0.01 0.00 5.85 -0.40 -0.16 115.31 121.62 1c2n h LEU 60 Ca 0.34 0.03 0.03 0.00 0.84 0.00 0.00 57.88 59.12 1c2n h LEU 60 Cb 0.13 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 1c2n h LEU 60 CO -0.16 0.09 -0.37 1.23 -0.34 0.00 0.00 178.44 178.90 1c2n h GLY 61 N 0.21 -0.65 0.87 3.75 0.00 -0.07 -1.65 103.07 105.52 1c2n h GLY 61 Ca 0.12 0.45 0.16 0.00 0.00 0.00 0.00 47.33 48.05 1c2n h GLY 61 CO -0.12 -0.24 0.41 0.00 0.00 0.00 0.00 176.54 176.59 1c2n h ALA 62 N 0.11 2.43 0.00 3.60 0.00 -0.17 0.28 119.26 125.50 1c2n h ALA 62 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1c2n h ALA 62 Cb 0.61 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1c2n h ALA 62 CO -0.29 -0.60 0.00 0.43 0.00 0.00 0.00 179.25 178.80 1c2n n SER 63 N -4.40 0.00 0.00 0.00 7.64 -0.12 -4.76 113.62 111.98 1c2n n SER 63 Ca 0.11 -0.87 0.00 0.00 1.01 0.00 0.00 58.87 59.11 1c2n n SER 63 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1c2n n SER 63 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c2n n GLY 64 N 0.11 1.09 3.38 0.23 0.00 0.87 -5.00 105.19 105.88 1c2n n GLY 64 Ca 0.07 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 1c2n n GLY 64 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1c2n n PHE 65 N -2.30 4.46 -2.27 1.61 7.35 -0.54 -4.93 117.46 120.83 1c2n n PHE 65 Ca 0.00 -2.97 -0.43 0.00 -0.76 0.00 0.00 57.45 53.30 1c2n n PHE 65 Cb 0.12 -2.49 -0.02 0.00 0.35 0.00 0.00 39.48 37.43 1c2n n PHE 65 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1c2n s ALA 66 N 3.30 3.42 0.34 3.13 0.00 -1.26 -0.81 121.76 129.88 1c2n s ALA 66 Ca 0.50 0.40 -0.28 0.00 0.00 0.00 0.00 51.96 52.57 1c2n s ALA 66 Cb 0.04 -3.77 -0.12 0.00 0.00 0.00 0.00 23.12 19.28 1c2n s ALA 66 CO 0.03 -1.66 1.42 0.91 0.00 0.00 0.00 175.76 176.46 1c2n n TRP 67 N 7.64 2.64 -4.46 0.00 7.02 -0.22 -4.81 117.44 125.25 1c2n n TRP 67 Ca 0.16 0.47 -0.23 0.00 -1.02 0.00 0.00 57.50 56.88 1c2n n TRP 67 Cb 0.45 -2.49 -0.10 0.00 -2.42 0.00 0.00 31.31 26.75 1c2n n TRP 67 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1c2n s THR 68 N -0.91 2.05 0.24 -0.99 -4.23 -1.26 0.14 115.64 110.68 1c2n s THR 68 Ca 0.56 -2.23 -0.05 0.00 -1.18 0.00 0.00 61.69 58.79 1c2n s THR 68 Cb -0.53 -2.41 0.20 0.00 1.34 0.00 0.00 72.50 71.10 1c2n s THR 68 CO 0.61 -0.34 1.78 -0.33 -0.54 0.00 0.00 174.62 175.80 1c2n h GLU 69 N 2.24 0.63 0.31 3.99 5.08 -1.95 0.10 114.58 124.98 1c2n h GLU 69 Ca -0.40 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1c2n h GLU 69 Cb 1.24 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1c2n h GLU 69 CO 0.66 0.42 -0.15 0.93 -1.00 0.00 0.00 179.01 179.87 1c2n h GLU 70 N 0.65 -0.40 -0.48 2.33 5.08 -1.97 0.33 114.58 120.13 1c2n h GLU 70 Ca 0.39 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1c2n h GLU 70 Cb 0.43 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1c2n h GLU 70 CO -0.29 -0.18 0.30 -0.44 -1.00 0.00 0.00 179.01 177.41 1c2n h ASP 71 N -0.54 0.56 0.45 1.42 3.32 -1.82 0.12 116.42 119.92 1c2n h ASP 71 Ca -0.04 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1c2n h ASP 71 Cb 0.40 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1c2n h ASP 71 CO 0.07 0.43 -0.31 0.40 -1.72 0.00 0.00 179.24 178.11 1c2n h ILE 72 N 0.64 0.37 -1.00 0.35 2.04 -0.75 0.20 117.51 119.36 1c2n h ILE 72 Ca 0.17 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.19 1c2n h ILE 72 Cb -0.04 0.37 -0.10 0.00 -0.74 0.00 0.00 36.82 36.31 1c2n h ILE 72 CO -0.03 0.00 0.61 0.00 0.00 0.00 0.00 178.15 178.73 1c2n h ALA 73 N -0.26 1.58 0.37 1.87 0.00 -0.67 -1.38 119.26 120.77 1c2n h ALA 73 Ca -0.05 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1c2n h ALA 73 Cb 0.62 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1c2n h ALA 73 CO 0.03 0.06 -0.18 1.15 0.00 0.00 0.00 179.25 180.31 1c2n h THR 74 N 0.85 0.00 -0.97 0.00 2.02 -0.39 -3.35 112.91 111.07 1c2n h THR 74 Ca 0.54 -0.24 0.17 0.00 0.77 0.00 0.00 66.41 67.65 1c2n h THR 74 Cb 0.72 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.96 1c2n h THR 74 CO -0.33 0.00 -0.31 0.22 0.37 0.00 0.00 175.52 175.47 1c2n h TYR 75 N -0.73 -0.77 -0.70 3.16 3.20 -0.17 0.20 116.97 121.15 1c2n h TYR 75 Ca -0.05 0.09 0.14 0.00 3.14 0.00 0.00 58.73 62.06 1c2n h TYR 75 Cb 0.38 0.49 -0.04 0.00 1.54 0.00 0.00 36.73 39.09 1c2n h TYR 75 CO 0.05 -0.41 0.47 -0.39 -1.64 0.00 0.00 178.16 176.25 1c2n h VAL 76 N -0.01 0.80 0.00 1.81 -1.51 -1.41 0.11 116.25 116.04 1c2n h VAL 76 Ca 0.41 -0.12 -0.12 0.00 -1.23 0.00 0.00 66.70 65.63 1c2n h VAL 76 Cb 0.66 0.41 -0.02 0.00 -2.13 0.00 0.00 31.29 30.21 1c2n h VAL 76 CO -0.99 0.07 -0.59 0.11 -1.23 0.00 0.00 177.57 174.94 1c2n h LYS 77 N 0.36 0.00 -2.02 5.19 1.57 -0.70 0.13 116.57 121.10 1c2n h LYS 77 Ca 0.34 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.62 1c2n h LYS 77 Cb 0.83 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.74 1c2n h LYS 77 CO -0.10 0.59 -1.14 -0.40 -0.57 0.00 0.00 179.45 177.83 1c2n n ASP 78 N -3.77 0.99 -4.74 0.86 5.75 0.27 -4.65 116.55 111.26 1c2n n ASP 78 Ca -0.01 -3.00 -0.34 0.00 -0.01 0.00 0.00 54.79 51.43 1c2n n ASP 78 Cb 0.61 -0.62 0.07 0.00 -1.03 0.00 0.00 41.12 40.14 1c2n n ASP 78 CO 0.00 0.00 0.00 -2.84 -0.11 0.00 0.00 177.20 174.25 1c2n s PRO 79 N -2.28 2.51 0.00 0.11 0.02 -0.57 -0.76 135.00 134.03 1c2n s PRO 79 Ca 0.40 1.65 0.00 0.00 0.02 0.00 0.00 61.00 63.07 1c2n s PRO 79 Cb 0.31 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.94 1c2n s PRO 79 CO -0.09 -1.53 0.00 0.41 -0.33 0.00 0.00 177.00 175.47 1c2n n GLY 80 N 0.13 1.58 0.29 0.52 0.00 -1.26 -4.38 105.19 102.06 1c2n n GLY 80 Ca 0.12 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.20 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 1.14 0.03 4.61 0.00 -1.84 0.60 119.26 123.80 1c2n h ALA 81 Ca 0.00 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1c2n h ALA 81 Cb 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1c2n h ALA 81 CO 0.00 -0.27 -0.41 0.35 0.00 0.00 0.00 179.25 178.93 1c2n h PHE 82 N 0.40 -1.15 0.20 0.00 3.57 -1.15 0.47 116.94 119.28 1c2n h PHE 82 Ca 0.45 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.99 1c2n h PHE 82 Cb 0.75 0.50 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 1c2n h PHE 82 CO -0.18 -0.49 -0.24 -0.07 -2.23 0.00 0.00 178.31 175.10 1c2n h LEU 83 N -0.59 -0.64 -0.88 0.59 4.07 -1.37 0.07 115.31 116.56 1c2n h LEU 83 Ca 0.04 0.06 0.18 0.00 0.08 0.00 0.00 57.88 58.25 1c2n h LEU 83 Cb 0.65 0.23 -0.11 0.00 1.08 0.00 0.00 40.66 42.51 1c2n h LEU 83 CO -0.29 -0.34 0.43 0.11 -1.08 0.00 0.00 178.44 177.27 1c2n h LYS 84 N -0.49 0.52 0.23 1.13 1.57 -0.50 0.21 116.57 119.24 1c2n h LYS 84 Ca 0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1c2n h LYS 84 Cb 0.47 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1c2n h LYS 84 CO -0.08 0.35 -0.11 1.49 -0.57 0.00 0.00 179.45 180.53 1c2n h GLU 85 N 0.54 -0.29 -0.76 3.15 4.81 -0.62 -0.20 114.58 121.21 1c2n h GLU 85 Ca 0.51 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.86 1c2n h GLU 85 Cb 0.84 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.22 1c2n h GLU 85 CO -0.43 -0.20 0.40 0.87 -0.73 0.00 0.00 179.01 178.92 1c2n h LYS 86 N -0.45 0.64 -0.05 1.92 1.79 -0.71 0.01 116.57 119.72 1c2n h LYS 86 Ca -0.03 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1c2n h LYS 86 Cb 0.23 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1c2n h LYS 86 CO 0.05 0.42 0.00 -0.11 -1.08 0.00 0.00 179.45 178.73 1c2n n LEU 87 N -4.83 1.38 -4.14 2.94 7.94 0.70 -4.96 117.00 116.02 1c2n n LEU 87 Ca 0.12 -0.49 -0.36 0.00 -1.11 0.00 0.00 56.01 54.17 1c2n n LEU 87 Cb 0.29 -0.02 -0.03 0.00 0.53 0.00 0.00 43.42 44.19 1c2n n LEU 87 CO 0.25 0.25 -0.30 -0.67 -1.11 0.00 0.00 177.39 175.80 1c2n n ASP 88 N 0.09 -1.55 -3.67 1.96 2.03 -0.01 -4.96 116.55 110.43 1c2n n ASP 88 Ca 0.19 -1.24 -0.12 0.00 0.52 0.00 0.00 54.79 54.14 1c2n n ASP 88 Cb 0.32 -1.93 -0.12 0.00 -0.72 0.00 0.00 41.12 38.67 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 0.12 0.22 1.67 2.15 -0.19 -5.03 116.67 111.60 1c2n s ASP 89 Ca 0.22 0.66 -0.08 0.00 0.43 0.00 0.00 52.55 53.78 1c2n s ASP 89 Cb -0.12 0.76 0.32 0.00 -0.30 0.00 0.00 42.92 43.59 1c2n s ASP 89 CO 0.97 -0.22 1.75 0.50 -0.17 0.00 0.00 175.17 177.99 1c2n h LYS 90 N 8.04 0.43 0.00 4.34 3.11 -1.93 -0.88 116.57 129.68 1c2n h LYS 90 Ca -0.20 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.62 1c2n h LYS 90 Cb 1.12 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.26 1c2n h LYS 90 CO 0.18 0.28 0.00 1.17 -2.81 0.00 0.00 179.45 178.27 1c2n n LYS 91 N -4.98 0.70 -2.03 1.90 0.00 -1.26 -4.56 118.16 107.92 1c2n n LYS 91 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 57.99 1c2n n LYS 91 Cb 0.30 -1.22 0.00 0.00 0.00 0.00 0.00 35.03 34.11 1c2n n LYS 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1c2n n ALA 92 N -0.72 5.11 -1.97 3.14 0.00 -0.33 -4.90 120.51 120.84 1c2n n ALA 92 Ca 0.07 -3.97 -0.29 0.00 0.00 0.00 0.00 53.44 49.26 1c2n n ALA 92 Cb 0.03 -3.43 0.04 0.00 0.00 0.00 0.00 19.45 16.09 1c2n n ALA 92 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1c2n s LYS 93 N 2.81 2.93 0.01 0.00 2.47 -1.26 -3.87 119.74 122.82 1c2n s LYS 93 Ca 0.47 0.30 -0.03 0.00 -1.56 0.00 0.00 55.97 55.14 1c2n s LYS 93 Cb 0.11 -2.12 -0.01 0.00 -1.46 0.00 0.00 37.83 34.34 1c2n s LYS 93 CO -0.04 -0.87 0.04 -0.08 0.16 0.00 0.00 175.35 174.56 1c2n s THR 94 N -3.20 0.09 0.50 3.43 -1.32 -1.26 -4.53 115.64 109.35 1c2n s THR 94 Ca 0.56 -0.77 0.16 0.00 -1.21 0.00 0.00 61.69 60.43 1c2n s THR 94 Cb -0.11 -0.32 0.24 0.00 -1.51 0.00 0.00 72.50 70.80 1c2n s THR 94 CO 0.49 -0.42 2.10 1.23 -2.21 0.00 0.00 174.62 175.81 1c2n h GLY 95 N 4.57 0.00 -7.22 6.08 0.00 -1.99 -3.41 103.07 101.10 1c2n h GLY 95 Ca -0.31 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 1c2n h GLY 95 CO 0.41 0.00 0.20 -0.29 0.00 0.00 0.00 176.54 176.86 1c2n s MET 96 N -4.90 1.52 -1.17 4.80 -2.45 -1.26 -4.80 119.30 111.03 1c2n s MET 96 Ca -0.05 -0.23 -0.08 0.00 -1.25 0.00 0.00 55.69 54.09 1c2n s MET 96 Cb 0.16 -4.96 -0.07 0.00 1.25 0.00 0.00 34.83 31.22 1c2n s MET 96 CO 0.68 -4.91 2.97 0.00 1.05 0.00 0.00 175.02 174.80 1c2n n ALA 97 N 18.50 7.12 -3.51 4.11 0.00 -1.26 -4.73 120.51 140.73 1c2n n ALA 97 Ca 0.43 -3.28 -0.18 0.00 0.00 0.00 0.00 53.44 50.42 1c2n n ALA 97 Cb 0.46 -2.97 -0.06 0.00 0.00 0.00 0.00 19.45 16.88 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 1.01 -0.65 0.03 0.00 5.36 -1.26 -5.18 117.98 117.28 1c2n s PHE 98 Ca 0.65 1.12 0.00 0.00 -0.96 0.00 0.00 56.93 57.74 1c2n s PHE 98 Cb 0.22 0.40 -0.03 0.00 -0.34 0.00 0.00 43.02 43.28 1c2n s PHE 98 CO -0.07 -0.60 -0.04 0.15 -1.46 0.00 0.00 175.22 173.21 1c2n s LYS 99 N -1.17 0.44 -0.33 10.12 1.02 -1.26 -4.66 119.74 123.90 1c2n s LYS 99 Ca -0.11 -0.83 -0.03 0.00 0.02 0.00 0.00 55.97 55.02 1c2n s LYS 99 Cb -0.00 0.08 0.06 0.00 -0.52 0.00 0.00 37.83 37.45 1c2n s LYS 99 CO 0.10 -0.05 0.06 -1.17 -0.92 0.00 0.00 175.35 173.37 1c2n s LEU 100 N -1.95 4.27 -1.37 3.17 2.96 0.44 -4.99 118.68 121.22 1c2n s LEU 100 Ca -0.08 -1.41 -0.13 0.00 -0.22 0.00 0.00 54.13 52.29 1c2n s LEU 100 Cb -0.04 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 1c2n s LEU 100 CO -0.04 -0.33 2.37 0.00 -1.32 0.00 0.00 176.35 177.03 1c2n n ALA 101 N 4.65 5.71 0.00 5.97 0.00 -1.26 -3.85 120.51 131.72 1c2n n ALA 101 Ca -0.11 -3.58 0.00 0.00 0.00 0.00 0.00 53.44 49.76 1c2n n ALA 101 Cb 0.43 -3.47 0.00 0.00 0.00 0.00 0.00 19.45 16.41 1c2n n ALA 101 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1c2n n LYS 102 N 5.44 0.00 0.00 0.00 5.02 -1.26 -5.04 118.16 122.32 1c2n n LYS 102 Ca 0.58 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 1c2n n LYS 102 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.34 1c2n n LYS 102 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1c2n n GLY 103 N -0.62 1.14 0.33 0.72 0.00 -1.26 -4.99 105.19 100.50 1c2n n GLY 103 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.22 1c2n n GLY 103 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1c2n h GLY 104 N 0.00 1.91 0.98 -0.02 0.00 -1.86 0.12 103.07 104.20 1c2n h GLY 104 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1c2n h GLY 104 CO 0.00 -0.40 0.07 1.05 0.00 0.00 0.00 176.54 177.26 1c2n h GLU 105 N 0.38 0.14 -0.16 4.80 9.09 -1.91 0.24 114.58 127.17 1c2n h GLU 105 Ca 0.68 -0.01 -0.00 0.00 0.05 0.00 0.00 59.36 60.07 1c2n h GLU 105 Cb 1.45 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 28.51 1c2n h GLU 105 CO -0.57 0.12 0.09 -0.44 0.05 0.00 0.00 179.01 178.26 1c2n h ASP 106 N 0.12 0.19 -0.78 3.06 3.32 -1.13 -0.20 116.42 121.00 1c2n h ASP 106 Ca 0.04 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1c2n h ASP 106 Cb 0.01 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 1c2n h ASP 106 CO -0.01 0.20 0.37 0.58 -1.72 0.00 0.00 179.24 178.66 1c2n h VAL 107 N 0.17 1.25 -0.31 -1.35 2.07 -0.97 0.33 116.25 117.43 1c2n h VAL 107 Ca 0.06 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1c2n h VAL 107 Cb 0.04 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1c2n h VAL 107 CO -0.01 0.30 0.18 0.00 0.02 0.00 0.00 177.57 178.06 1c2n h ALA 108 N 1.19 0.40 -0.59 1.67 0.00 -0.19 0.38 119.26 122.13 1c2n h ALA 108 Ca 0.27 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1c2n h ALA 108 Cb 0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1c2n h ALA 108 CO -0.03 -0.08 0.36 0.00 0.00 0.00 0.00 179.25 179.50 1c2n h ALA 109 N 1.05 0.76 0.07 0.00 0.00 -0.58 0.56 119.26 121.12 1c2n h ALA 109 Ca 0.11 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1c2n h ALA 109 Cb 0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1c2n h ALA 109 CO -0.02 0.10 -0.20 -0.92 0.00 0.00 0.00 179.25 178.21 1c2n h TYR 110 N 0.72 -0.52 -0.41 0.00 3.20 -0.47 0.12 116.97 119.61 1c2n h TYR 110 Ca 0.24 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.18 1c2n h TYR 110 Cb 0.01 0.22 -0.05 0.00 1.54 0.00 0.00 36.73 38.45 1c2n h TYR 110 CO -0.05 -0.29 0.09 -0.07 -1.64 0.00 0.00 178.16 176.20 1c2n h LEU 111 N -0.36 0.04 -1.17 2.82 3.38 -0.44 0.18 115.31 119.76 1c2n h LEU 111 Ca 0.04 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1c2n h LEU 111 Cb 0.40 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1c2n h LEU 111 CO -0.14 0.06 0.57 0.00 0.09 0.00 0.00 178.44 179.02 1c2n h ALA 112 N 1.30 1.48 -0.33 1.53 0.00 -0.54 -1.34 119.26 121.36 1c2n h ALA 112 Ca 0.19 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 1c2n h ALA 112 Cb 0.22 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1c2n h ALA 112 CO -0.24 0.41 -0.42 0.77 0.00 0.00 0.00 179.25 179.77 1c2n h SER 113 N 1.05 0.95 -0.39 0.00 0.02 0.70 -3.31 113.55 112.56 1c2n h SER 113 Ca 0.36 -0.49 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 1c2n h SER 113 Cb 0.09 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 1c2n h SER 113 CO -0.12 1.25 0.11 0.58 -1.14 0.00 0.00 176.83 177.52 1c2n h VAL 114 N 0.67 1.22 -0.83 2.27 2.07 0.09 -3.42 116.25 118.32 1c2n h VAL 114 Ca 0.04 -0.73 -0.24 0.00 0.82 0.00 0.00 66.70 66.59 1c2n h VAL 114 Cb 1.02 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1c2n h VAL 114 CO 0.10 0.26 0.88 0.55 0.02 0.00 0.00 177.57 179.38 1c2n n VAL 115 N -4.59 -0.04 0.07 2.57 3.14 -0.58 -4.97 118.33 113.93 1c2n n VAL 115 Ca -0.00 -0.60 0.01 0.00 -2.96 0.00 0.00 64.34 60.78 1c2n n VAL 115 Cb 0.19 -2.15 0.01 0.00 -1.06 0.00 0.00 33.84 30.82 1c2n n VAL 115 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66