#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 6.56 0.34 1.61 1.01 -1.26 -4.78 116.67 120.15 1c2n s ASP 2 Ca 0.00 -1.67 0.12 0.00 0.71 0.00 0.00 52.55 51.71 1c2n s ASP 2 Cb 0.00 -2.54 1.05 0.00 1.01 0.00 0.00 42.92 42.44 1c2n s ASP 2 CO 0.00 -1.39 1.60 0.00 0.21 0.00 0.00 175.17 175.59 1c2n h ALA 3 N 9.38 1.73 -0.35 5.23 0.00 -1.88 0.33 119.26 133.69 1c2n h ALA 3 Ca 0.22 0.27 0.06 0.00 0.00 0.00 0.00 54.91 55.46 1c2n h ALA 3 Cb 1.00 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 1c2n h ALA 3 CO 1.38 -0.72 0.04 0.00 0.00 0.00 0.00 179.25 179.94 1c2n h ALA 4 N 1.94 0.35 -0.30 0.00 0.00 -1.93 0.11 119.26 119.44 1c2n h ALA 4 Ca 0.72 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.58 1c2n h ALA 4 Cb 1.72 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1c2n h ALA 4 CO -0.78 -0.37 -0.38 0.87 0.00 0.00 0.00 179.25 178.60 1c2n h LYS 5 N 0.15 0.69 -0.83 0.00 1.57 -0.85 -3.18 116.57 114.12 1c2n h LYS 5 Ca 0.17 -0.35 0.15 0.00 -1.87 0.00 0.00 60.65 58.76 1c2n h LYS 5 Cb 0.22 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.43 1c2n h LYS 5 CO -0.25 0.96 0.40 0.78 -0.57 0.00 0.00 179.45 180.76 1c2n h GLY 6 N 0.97 1.34 0.25 3.86 0.00 0.37 0.23 103.07 110.09 1c2n h GLY 6 Ca 0.05 -0.21 0.10 0.00 0.00 0.00 0.00 47.33 47.27 1c2n h GLY 6 CO 0.08 -0.08 0.12 0.83 0.00 0.00 0.00 176.54 177.49 1c2n h GLU 7 N 0.55 0.25 -0.13 4.80 5.08 -0.81 0.12 114.58 124.43 1c2n h GLU 7 Ca 0.46 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.75 1c2n h GLU 7 Cb 0.70 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1c2n h GLU 7 CO -0.39 0.17 -0.14 0.87 -1.00 0.00 0.00 179.01 178.51 1c2n h LYS 8 N 0.26 0.33 -0.73 2.33 1.57 -0.75 -3.13 116.57 116.46 1c2n h LYS 8 Ca 0.29 -0.18 0.10 0.00 -1.87 0.00 0.00 60.65 58.99 1c2n h LYS 8 Cb 0.42 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 1c2n h LYS 8 CO -0.37 0.73 0.48 1.49 -0.57 0.00 0.00 179.45 181.21 1c2n h GLU 9 N -0.05 0.59 0.00 3.15 4.57 -0.41 0.54 114.58 122.97 1c2n h GLU 9 Ca 0.02 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1c2n h GLU 9 Cb 0.68 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1c2n h GLU 9 CO 0.04 0.39 0.13 0.35 -1.18 0.00 0.00 179.01 178.74 1c2n h PHE 10 N 0.61 0.00 -0.75 0.92 3.57 -0.72 -0.85 116.94 119.72 1c2n h PHE 10 Ca 0.33 0.00 0.22 0.00 3.53 0.00 0.00 57.97 62.05 1c2n h PHE 10 Cb 0.49 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 1c2n h PHE 10 CO -0.00 0.00 0.55 -0.97 -2.23 0.00 0.00 178.31 175.66 1c2n h ASN 11 N 0.00 0.00 0.21 0.41 -1.24 -1.00 0.72 115.58 114.67 1c2n h ASN 11 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1c2n h ASN 11 Cb 0.26 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.31 1c2n h ASN 11 CO 0.00 0.00 -0.10 0.11 -1.29 0.00 0.00 177.43 176.15 1c2n h LYS 12 N 0.00 -0.27 -0.68 6.67 1.57 -1.37 -3.36 116.57 119.13 1c2n h LYS 12 Ca 0.36 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.29 1c2n h LYS 12 Cb 1.46 0.06 -0.10 0.00 0.08 0.00 0.00 32.23 33.73 1c2n h LYS 12 CO -0.00 0.10 0.16 0.00 -0.57 0.00 0.00 179.45 179.14 1c2n h LYS 14 N 0.27 0.00 -0.04 0.00 5.09 -1.08 0.86 116.57 121.67 1c2n h LYS 14 Ca 0.37 0.00 0.01 0.00 0.09 0.00 0.00 60.65 61.12 1c2n h LYS 14 Cb 0.59 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.92 1c2n h LYS 14 CO -0.46 0.00 0.04 1.15 -2.09 0.00 0.00 179.45 178.09 1c2n h THR 15 N 0.00 0.59 0.00 0.07 2.02 -1.28 -0.16 112.91 114.15 1c2n h THR 15 Ca 0.04 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 1c2n h THR 15 Cb 0.48 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1c2n h THR 15 CO -0.00 0.00 -1.09 0.00 0.37 0.00 0.00 175.52 174.80 1c2n n HIS 17 N -2.75 -2.96 -3.98 0.00 8.25 0.11 0.12 115.22 114.01 1c2n n HIS 17 Ca -0.03 -0.45 -0.09 0.00 -0.26 0.00 0.00 57.72 56.88 1c2n n HIS 17 Cb 0.53 -0.13 -0.06 0.00 1.12 0.00 0.00 29.99 31.45 1c2n n HIS 17 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1c2n s SER 18 N -1.83 -0.08 -0.07 0.41 0.15 -1.20 -2.25 113.70 108.83 1c2n s SER 18 Ca 0.14 -0.91 -0.00 0.00 0.70 0.00 0.00 55.95 55.88 1c2n s SER 18 Cb -0.01 0.56 0.02 0.00 -1.71 0.00 0.00 66.02 64.88 1c2n s SER 18 CO 0.09 -1.09 -0.04 -0.63 1.20 0.00 0.00 173.24 172.77 1c2n s ILE 19 N -4.01 0.63 -0.09 6.45 1.01 -0.61 -0.27 121.20 124.31 1c2n s ILE 19 Ca 0.22 -0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.71 1c2n s ILE 19 Cb 0.00 -0.69 0.03 0.00 0.01 0.00 0.00 42.46 41.81 1c2n s ILE 19 CO 0.07 0.28 0.21 -0.51 0.00 0.00 0.00 174.94 174.99 1c2n s ILE 20 N 1.45 -0.02 0.83 2.92 2.07 -1.26 -0.57 121.20 126.61 1c2n s ILE 20 Ca -0.02 0.09 -0.11 0.00 -1.41 0.00 0.00 60.65 59.20 1c2n s ILE 20 Cb -0.13 -0.32 0.09 0.00 0.13 0.00 0.00 42.46 42.23 1c2n s ILE 20 CO -0.03 0.04 1.09 0.00 -1.91 0.00 0.00 174.94 174.13 1c2n s ALA 21 N 0.72 1.91 0.36 1.50 0.00 0.21 -4.75 121.76 121.70 1c2n s ALA 21 Ca -0.05 0.16 0.09 0.00 0.00 0.00 0.00 51.96 52.15 1c2n s ALA 21 Cb -0.07 -3.25 0.81 0.00 0.00 0.00 0.00 23.12 20.61 1c2n s ALA 21 CO -0.04 -2.07 1.88 -1.35 0.00 0.00 0.00 175.76 174.18 1c2n h PRO 22 N -1.35 0.68 0.00 0.00 0.11 -1.89 0.73 132.00 130.28 1c2n h PRO 22 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1c2n h PRO 22 Cb 1.25 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1c2n h PRO 22 CO 0.52 0.45 0.00 -0.25 -0.21 0.00 0.00 178.00 178.51 1c2n n ASP 23 N -4.55 0.00 0.00 -2.05 9.92 -1.26 -4.82 116.55 113.80 1c2n n ASP 23 Ca 0.16 -0.42 0.00 0.00 -0.53 0.00 0.00 54.79 54.01 1c2n n ASP 23 Cb 0.44 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 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 -0.06 1.55 3.57 0.44 0.00 0.25 -4.98 105.19 105.95 1c2n n GLY 24 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.77 3.21 -0.04 2.61 2.01 -1.25 -4.72 115.64 114.68 1c2n s THR 25 Ca 0.00 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.86 1c2n s THR 25 Cb 0.00 -3.44 -0.06 0.00 0.01 0.00 0.00 72.50 69.01 1c2n s THR 25 CO 0.00 -0.38 1.64 -1.83 -0.69 0.00 0.00 174.62 173.35 1c2n s GLU 26 N 7.12 4.19 -0.04 4.92 4.04 -1.26 -0.62 118.70 137.05 1c2n s GLU 26 Ca 0.85 2.18 -0.23 0.00 0.04 0.00 0.00 54.97 57.81 1c2n s GLU 26 Cb -0.19 -3.92 -0.26 0.00 0.02 0.00 0.00 34.13 29.78 1c2n s GLU 26 CO 0.27 -0.82 0.99 0.82 -1.84 0.00 0.00 175.26 174.68 1c2n h ILE 27 N 5.46 1.53 -1.99 1.83 5.03 -1.19 -3.44 117.51 124.73 1c2n h ILE 27 Ca -0.39 -2.20 -0.21 0.00 -0.12 0.00 0.00 64.86 61.94 1c2n h ILE 27 Cb 1.18 2.90 -0.31 0.00 -3.03 0.00 0.00 36.82 37.56 1c2n h ILE 27 CO 0.95 0.62 -0.54 0.54 -0.68 0.00 0.00 178.15 179.04 1c2n s VAL 28 N -2.86 -0.53 -0.64 1.67 0.11 -0.23 -4.98 120.40 112.93 1c2n s VAL 28 Ca -0.15 -0.19 -0.05 0.00 -2.93 0.00 0.00 61.98 58.66 1c2n s VAL 28 Cb 0.01 -0.86 -0.09 0.00 -1.53 0.00 0.00 36.38 33.91 1c2n s VAL 28 CO 0.79 -0.23 2.27 2.29 -3.33 0.00 0.00 175.10 176.89 1c2n n LYS 29 N 5.35 1.89 -0.40 1.54 2.85 -1.26 -1.58 118.16 126.55 1c2n n LYS 29 Ca -0.03 -1.21 -0.11 0.00 -1.05 0.00 0.00 58.31 55.91 1c2n n LYS 29 Cb 0.49 -2.25 0.09 0.00 -0.65 0.00 0.00 35.03 32.72 1c2n n LYS 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1c2n n GLY 30 N 3.38 -2.51 3.60 2.58 0.00 -1.26 -5.02 105.19 105.96 1c2n n GLY 30 Ca 0.40 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 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 -3.04 0.43 -0.25 4.61 0.00 -0.07 -4.61 121.76 118.83 1c2n s ALA 31 Ca 0.26 -0.13 0.10 0.00 0.00 0.00 0.00 51.96 52.19 1c2n s ALA 31 Cb -0.02 -3.21 0.46 0.00 0.00 0.00 0.00 23.12 20.34 1c2n s ALA 31 CO 0.20 -3.22 1.32 1.63 0.00 0.00 0.00 175.76 175.69 1c2n n LYS 32 N -4.48 1.80 -0.11 0.00 4.76 -1.16 -3.24 118.16 115.74 1c2n n LYS 32 Ca 0.05 -3.32 -0.11 0.00 -2.87 0.00 0.00 58.31 52.06 1c2n n LYS 32 Cb 0.55 -1.74 -0.03 0.00 -1.84 0.00 0.00 35.03 31.97 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 1.07 1.28 -1.34 -0.18 2.02 -0.65 -3.44 112.91 111.66 1c2n h THR 33 Ca 0.11 -1.11 -0.50 0.00 0.77 0.00 0.00 66.41 65.69 1c2n h THR 33 Cb 1.28 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 69.00 1c2n h THR 33 CO 0.21 0.36 -0.34 -0.83 0.37 0.00 0.00 175.52 175.28 1c2n s GLY 34 N -3.36 2.14 1.33 2.16 0.00 0.24 -4.99 107.32 104.84 1c2n s GLY 34 Ca -0.13 -1.81 -0.21 0.00 0.00 0.00 0.00 44.72 42.57 1c2n s GLY 34 CO 0.79 -1.72 0.99 2.56 0.00 0.00 0.00 173.10 175.71 1c2n s PRO 35 N -4.19 -2.23 -0.37 2.90 0.04 -1.26 -4.48 135.00 125.40 1c2n s PRO 35 Ca 0.47 0.16 -0.26 0.00 0.04 0.00 0.00 61.00 61.42 1c2n s PRO 35 Cb -0.03 -1.46 0.02 0.00 0.04 0.00 0.00 34.50 33.06 1c2n s PRO 35 CO 0.28 -4.42 0.94 -0.80 0.04 0.00 0.00 177.00 173.03 1c2n s ASN 36 N -3.28 6.68 0.37 6.66 -0.87 -1.26 -3.56 114.94 119.68 1c2n s ASN 36 Ca 0.69 0.58 0.28 0.00 -1.57 0.00 0.00 52.86 52.84 1c2n s ASN 36 Cb -0.14 -2.47 1.08 0.00 -0.02 0.00 0.00 41.25 39.70 1c2n s ASN 36 CO 0.58 -0.88 1.81 -0.07 -2.57 0.00 0.00 177.10 175.98 1c2n h LEU 37 N 10.13 0.00 -8.99 0.60 3.38 -1.01 -3.44 115.31 115.98 1c2n h LEU 37 Ca -0.23 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.08 1c2n h LEU 37 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1c2n h LEU 37 CO 0.99 0.00 1.20 0.00 0.09 0.00 0.00 178.44 180.72 1c2n n TYR 38 N -2.60 2.01 -0.80 1.13 4.19 -1.26 -1.44 117.16 118.39 1c2n n TYR 38 Ca 0.02 0.18 0.00 0.00 3.31 0.00 0.00 57.90 61.41 1c2n n TYR 38 Cb 0.29 -2.59 0.00 0.00 0.49 0.00 0.00 39.34 37.53 1c2n n TYR 38 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1c2n n GLY 39 N 5.18 0.55 0.20 2.98 0.00 -1.26 -4.91 105.19 107.92 1c2n n GLY 39 Ca 0.30 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 1.18 -1.74 1.61 2.07 -1.53 -3.35 116.25 114.49 1c2n h VAL 40 Ca 0.00 -0.52 -0.62 0.00 0.82 0.00 0.00 66.70 66.38 1c2n h VAL 40 Cb 0.00 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1c2n h VAL 40 CO 0.00 0.20 1.34 0.52 0.02 0.00 0.00 177.57 179.65 1c2n n VAL 41 N -4.66 0.39 0.00 2.57 0.31 -1.26 -0.43 118.33 115.25 1c2n n VAL 41 Ca 0.01 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1c2n n VAL 41 Cb 0.12 -2.06 0.00 0.00 -0.91 0.00 0.00 33.84 30.99 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 5.54 1.82 3.84 2.92 0.00 0.53 -4.99 105.19 114.84 1c2n n GLY 42 Ca 0.31 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.99 3.99 0.25 1.61 6.06 0.43 -4.69 118.95 125.61 1c2n s ARG 43 Ca 0.00 0.50 -0.31 0.00 -2.50 0.00 0.00 55.73 53.42 1c2n s ARG 43 Cb 0.00 -2.95 -0.12 0.00 0.06 0.00 0.00 34.95 31.94 1c2n s ARG 43 CO 0.00 0.49 1.60 2.41 -2.50 0.00 0.00 175.30 177.30 1c2n n THR 44 N 0.86 0.67 -0.97 4.11 -1.04 -1.26 -0.93 114.28 115.71 1c2n n THR 44 Ca -0.06 -0.17 -0.31 0.00 -2.04 0.00 0.00 64.05 61.47 1c2n n THR 44 Cb 0.52 -1.87 0.13 0.00 -1.82 0.00 0.00 70.33 67.29 1c2n n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1c2n s ALA 45 N 0.36 1.81 -1.55 2.41 0.00 -0.29 -3.49 121.76 121.01 1c2n s ALA 45 Ca 0.69 0.52 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1c2n s ALA 45 Cb -0.53 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.19 1c2n s ALA 45 CO 0.44 -2.33 0.00 0.41 0.00 0.00 0.00 175.76 174.27 1c2n n GLY 46 N -0.24 0.79 0.75 0.00 0.00 -1.25 -4.17 105.19 101.07 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 -1.30 0.00 0.00 0.00 173.32 172.02 1c2n n THR 47 N -2.60 0.00 -2.12 2.61 -2.24 -1.23 -4.52 114.28 104.18 1c2n n THR 47 Ca -0.17 -0.22 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 1c2n n THR 47 Cb 0.56 0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 69.28 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 3.10 0.75 4.78 5.04 -1.26 -4.95 117.35 124.81 1c2n s TYR 48 Ca 0.07 1.28 -0.16 0.00 -2.44 0.00 0.00 57.07 55.82 1c2n s TYR 48 Cb 0.08 -3.69 -0.02 0.00 0.35 0.00 0.00 41.96 38.68 1c2n s TYR 48 CO -0.04 -2.04 0.58 -2.30 -1.34 0.00 0.00 175.55 170.42 1c2n n PRO 49 N 1.62 0.26 -3.90 4.97 -0.02 -1.26 -3.91 135.00 132.76 1c2n n PRO 49 Ca 0.03 0.13 -0.39 0.00 -2.02 0.00 0.00 63.50 61.25 1c2n n PRO 49 Cb 0.42 -1.89 0.03 0.00 -0.02 0.00 0.00 33.50 32.04 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 -1.01 -0.81 -3.55 -0.52 4.71 -1.26 -4.85 120.64 113.35 1c2n n GLU 50 Ca 0.10 0.26 0.00 0.00 -0.01 0.00 0.00 57.16 57.51 1c2n n GLU 50 Cb 0.50 -3.35 -0.04 0.00 -1.01 0.00 0.00 31.44 27.55 1c2n n GLU 50 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 1c2n s PHE 51 N -3.54 -1.30 -0.76 -0.32 5.36 -1.25 -4.95 117.98 111.23 1c2n s PHE 51 Ca 0.46 2.10 -0.25 0.00 -0.96 0.00 0.00 56.93 58.28 1c2n s PHE 51 Cb -0.21 0.73 0.05 0.00 -0.34 0.00 0.00 43.02 43.24 1c2n s PHE 51 CO 0.92 -0.65 1.20 0.21 -1.46 0.00 0.00 175.22 175.44 1c2n s LYS 52 N 2.85 3.24 0.27 10.12 2.20 -1.26 -4.88 119.74 132.26 1c2n s LYS 52 Ca -0.02 -0.60 -0.04 0.00 -0.36 0.00 0.00 55.97 54.95 1c2n s LYS 52 Cb -0.12 -4.37 0.06 0.00 -1.51 0.00 0.00 37.83 31.89 1c2n s LYS 52 CO -0.19 -2.04 0.36 0.66 -0.36 0.00 0.00 175.35 173.79 1c2n n TYR 53 N 8.68 -3.84 -2.78 4.03 4.02 -1.26 -5.10 117.16 120.91 1c2n n TYR 53 Ca 0.06 -0.38 -0.15 0.00 -0.01 0.00 0.00 57.90 57.42 1c2n n TYR 53 Cb 0.48 -0.28 0.07 0.00 -0.02 0.00 0.00 39.34 39.59 1c2n n TYR 53 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1c2n n LYS 54 N -1.76 0.42 0.07 -0.72 5.02 -1.26 -5.04 118.16 114.90 1c2n n LYS 54 Ca 0.05 -2.09 -0.11 0.00 -2.02 0.00 0.00 58.31 54.14 1c2n n LYS 54 Cb 0.17 -0.32 -0.02 0.00 -0.02 0.00 0.00 35.03 34.84 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 -0.17 0.41 0.46 4.39 3.58 -1.99 -3.11 116.42 120.00 1c2n h ASP 55 Ca -0.21 -0.33 -0.02 0.00 0.42 0.00 0.00 57.03 56.89 1c2n h ASP 55 Cb 0.88 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.81 1c2n h ASP 55 CO 0.27 1.12 -0.22 0.77 -2.88 0.00 0.00 179.24 178.30 1c2n h SER 56 N 0.18 -0.52 -0.99 2.28 4.64 -1.90 0.84 113.55 118.08 1c2n h SER 56 Ca -0.06 0.02 0.10 0.00 -0.47 0.00 0.00 61.79 61.38 1c2n h SER 56 Cb 1.53 0.14 -0.08 0.00 -0.31 0.00 0.00 62.40 63.67 1c2n h SER 56 CO 0.15 -0.37 0.62 -0.29 -0.87 0.00 0.00 176.83 176.07 1c2n h ILE 57 N -0.63 0.97 0.07 0.95 6.09 -1.86 0.73 117.51 123.83 1c2n h ILE 57 Ca -0.06 -0.36 -0.00 0.00 -1.37 0.00 0.00 64.86 63.07 1c2n h ILE 57 Cb 0.48 -0.15 -0.00 0.00 0.47 0.00 0.00 36.82 37.61 1c2n h ILE 57 CO 0.10 0.19 -0.04 0.58 -3.07 0.00 0.00 178.15 175.91 1c2n h VAL 58 N 1.04 0.92 -0.67 2.19 2.07 -1.46 -0.70 116.25 119.64 1c2n h VAL 58 Ca 0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.99 1c2n h VAL 58 Cb 0.37 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1c2n h VAL 58 CO -0.23 0.00 0.42 0.00 0.02 0.00 0.00 177.57 177.78 1c2n h ALA 59 N 0.84 0.85 -0.09 1.67 0.00 0.12 0.16 119.26 122.81 1c2n h ALA 59 Ca -0.01 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1c2n h ALA 59 Cb 0.08 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1c2n h ALA 59 CO 0.01 0.30 -0.23 1.25 0.00 0.00 0.00 179.25 180.58 1c2n h LEU 60 N 0.90 -0.69 0.06 0.00 6.46 -0.57 -0.30 115.31 121.18 1c2n h LEU 60 Ca 0.24 0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 58.11 1c2n h LEU 60 Cb -0.06 0.30 -0.00 0.00 -0.73 0.00 0.00 40.66 40.17 1c2n h LEU 60 CO -0.05 -0.28 -0.04 1.23 -0.62 0.00 0.00 178.44 178.68 1c2n h GLY 61 N -0.31 -0.10 1.28 3.75 0.00 -0.68 -2.28 103.07 104.73 1c2n h GLY 61 Ca 0.09 0.04 0.08 0.00 0.00 0.00 0.00 47.33 47.54 1c2n h GLY 61 CO -0.27 -0.04 0.28 0.00 0.00 0.00 0.00 176.54 176.51 1c2n h ALA 62 N 0.84 2.03 0.00 3.60 0.00 -0.29 0.28 119.26 125.71 1c2n h ALA 62 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1c2n h ALA 62 Cb 0.08 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1c2n h ALA 62 CO 0.01 -0.43 0.00 0.43 0.00 0.00 0.00 179.25 179.26 1c2n n SER 63 N -3.95 0.00 -0.17 0.00 7.64 -0.16 -4.77 113.62 112.21 1c2n n SER 63 Ca 0.04 -0.51 0.00 0.00 1.01 0.00 0.00 58.87 59.42 1c2n n SER 63 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 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 -0.04 1.04 3.32 0.23 0.00 0.82 -5.07 105.19 105.49 1c2n n GLY 64 Ca 0.11 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.34 3.25 -0.19 1.61 5.36 -0.29 -5.06 117.98 120.32 1c2n s PHE 65 Ca 0.00 -1.20 -0.13 0.00 -0.96 0.00 0.00 56.93 54.64 1c2n s PHE 65 Cb 0.00 -2.35 -0.05 0.00 -0.34 0.00 0.00 43.02 40.28 1c2n s PHE 65 CO 0.00 -0.69 0.25 0.00 -1.46 0.00 0.00 175.22 173.32 1c2n s ALA 66 N 1.47 3.61 0.67 11.12 0.00 -1.26 -1.14 121.76 136.23 1c2n s ALA 66 Ca 0.00 -0.61 -0.17 0.00 0.00 0.00 0.00 51.96 51.18 1c2n s ALA 66 Cb -0.19 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.56 1c2n s ALA 66 CO 0.05 -0.03 1.23 -1.58 0.00 0.00 0.00 175.76 175.43 1c2n s TRP 67 N 0.73 2.17 0.20 0.00 0.52 -0.11 -4.84 118.94 117.61 1c2n s TRP 67 Ca 0.13 1.54 0.05 0.00 0.02 0.00 0.00 56.10 57.84 1c2n s TRP 67 Cb -0.13 -3.54 -0.05 0.00 -1.15 0.00 0.00 33.47 28.61 1c2n s TRP 67 CO 0.03 -2.57 -0.07 0.95 0.02 0.00 0.00 176.95 175.31 1c2n s THR 68 N -1.71 1.28 0.27 2.01 -4.23 -1.26 -0.35 115.64 111.65 1c2n s THR 68 Ca 0.78 -2.09 -0.03 0.00 -1.18 0.00 0.00 61.69 59.17 1c2n s THR 68 Cb -0.32 -2.13 0.27 0.00 1.34 0.00 0.00 72.50 71.66 1c2n s THR 68 CO 0.40 -0.52 1.91 1.05 -0.54 0.00 0.00 174.62 176.92 1c2n h GLU 69 N 2.57 1.18 0.24 3.99 4.11 -1.97 0.72 114.58 125.43 1c2n h GLU 69 Ca -0.38 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 58.97 1c2n h GLU 69 Cb 1.21 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1c2n h GLU 69 CO 0.64 0.78 -0.11 0.93 0.07 0.00 0.00 179.01 181.32 1c2n h GLU 70 N 1.22 -0.31 -0.44 1.06 5.08 -1.96 0.63 114.58 119.86 1c2n h GLU 70 Ca 0.40 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1c2n h GLU 70 Cb 0.04 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1c2n h GLU 70 CO -0.13 -0.15 0.26 -0.44 -1.00 0.00 0.00 179.01 177.55 1c2n h ASP 71 N -0.40 0.53 0.12 1.42 3.32 -1.83 -0.59 116.42 118.99 1c2n h ASP 71 Ca -0.03 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 56.97 1c2n h ASP 71 Cb 0.30 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1c2n h ASP 71 CO 0.05 0.44 -0.18 0.40 -1.72 0.00 0.00 179.24 178.24 1c2n h ILE 72 N 0.58 0.60 -0.62 0.35 2.04 -0.69 0.16 117.51 119.93 1c2n h ILE 72 Ca 0.16 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.13 1c2n h ILE 72 Cb 0.01 0.60 -0.09 0.00 -0.74 0.00 0.00 36.82 36.60 1c2n h ILE 72 CO -0.03 0.00 0.15 0.00 0.00 0.00 0.00 178.15 178.27 1c2n h ALA 73 N 0.47 0.76 0.40 1.87 0.00 -0.62 -0.48 119.26 121.66 1c2n h ALA 73 Ca 0.02 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1c2n h ALA 73 Cb 0.36 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1c2n h ALA 73 CO -0.09 -0.29 -0.19 1.15 0.00 0.00 0.00 179.25 179.83 1c2n h THR 74 N 0.29 0.61 -0.57 0.00 2.02 -0.63 -3.21 112.91 111.41 1c2n h THR 74 Ca 0.33 -0.20 0.12 0.00 0.77 0.00 0.00 66.41 67.43 1c2n h THR 74 Cb 0.49 0.71 -0.10 0.00 -1.74 0.00 0.00 68.15 67.51 1c2n h THR 74 CO -0.40 0.04 -0.01 0.22 0.37 0.00 0.00 175.52 175.73 1c2n h TYR 75 N -0.65 -0.06 0.00 3.16 3.20 0.09 0.11 116.97 122.82 1c2n h TYR 75 Ca -0.05 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 1c2n h TYR 75 Cb 0.47 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 1c2n h TYR 75 CO -0.02 -0.15 -0.02 -0.39 -1.64 0.00 0.00 178.16 175.93 1c2n h VAL 76 N 0.11 0.83 0.00 1.81 -1.51 -1.15 0.20 116.25 116.53 1c2n h VAL 76 Ca 0.30 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.70 1c2n h VAL 76 Cb 0.47 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 1c2n h VAL 76 CO -0.50 0.02 -0.28 0.29 -1.23 0.00 0.00 177.57 175.87 1c2n n LYS 77 N -4.24 0.19 -3.06 5.19 5.02 0.27 -0.61 118.16 120.92 1c2n n LYS 77 Ca -0.03 0.11 -0.16 0.00 -2.02 0.00 0.00 58.31 56.21 1c2n n LYS 77 Cb 0.10 -1.67 -0.02 0.00 -0.02 0.00 0.00 35.03 33.42 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 -1.98 1.05 -4.77 4.39 8.00 0.59 -4.92 116.55 118.92 1c2n n ASP 78 Ca 0.05 -2.96 -0.41 0.00 0.71 0.00 0.00 54.79 52.18 1c2n n ASP 78 Cb 0.41 -0.60 -0.01 0.00 -0.02 0.00 0.00 41.12 40.90 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 -2.61 4.13 0.00 -0.24 0.04 -0.64 -0.77 135.00 134.92 1c2n s PRO 79 Ca 0.37 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.96 1c2n s PRO 79 Cb 0.37 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1c2n s PRO 79 CO -0.05 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 176.86 1c2n n GLY 80 N 1.03 1.42 0.31 0.56 0.00 -1.26 -4.48 105.19 102.77 1c2n n GLY 80 Ca 0.03 -0.02 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 1.15 0.18 4.61 0.00 -1.84 0.93 119.26 124.29 1c2n h ALA 81 Ca 0.00 0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1c2n h ALA 81 Cb 0.00 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1c2n h ALA 81 CO 0.00 -0.49 -0.31 0.35 0.00 0.00 0.00 179.25 178.80 1c2n h PHE 82 N 0.13 -0.84 0.10 0.00 3.04 -1.17 0.83 116.94 119.02 1c2n h PHE 82 Ca 0.53 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.51 1c2n h PHE 82 Cb 1.07 0.35 -0.02 0.00 2.56 0.00 0.00 35.95 39.90 1c2n h PHE 82 CO -0.35 -0.42 -0.18 -0.07 -2.02 0.00 0.00 178.31 175.26 1c2n h LEU 83 N -0.57 -0.51 -0.74 0.59 4.07 -1.17 -0.72 115.31 116.26 1c2n h LEU 83 Ca 0.02 0.06 0.13 0.00 0.08 0.00 0.00 57.88 58.17 1c2n h LEU 83 Cb 0.57 0.19 -0.09 0.00 1.08 0.00 0.00 40.66 42.42 1c2n h LEU 83 CO -0.14 -0.26 0.32 0.11 -1.08 0.00 0.00 178.44 177.39 1c2n h LYS 84 N -0.35 0.48 0.23 1.13 1.57 -0.68 0.10 116.57 119.05 1c2n h LYS 84 Ca 0.03 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1c2n h LYS 84 Cb 0.37 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1c2n h LYS 84 CO -0.11 0.32 -0.11 1.49 -0.57 0.00 0.00 179.45 180.47 1c2n h GLU 85 N 0.49 -0.30 -0.81 3.15 4.81 -0.56 0.27 114.58 121.63 1c2n h GLU 85 Ca 0.40 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.76 1c2n h GLU 85 Cb 0.56 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.93 1c2n h GLU 85 CO -0.36 -0.20 0.44 0.87 -0.73 0.00 0.00 179.01 179.02 1c2n h LYS 86 N -0.37 0.67 -0.01 1.92 1.79 -0.90 0.07 116.57 119.75 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 0.24 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1c2n h LYS 86 CO 0.05 0.44 -0.12 -0.11 -1.08 0.00 0.00 179.45 178.63 1c2n n LEU 87 N -4.82 0.67 -4.08 2.94 7.94 0.33 -4.94 117.00 115.05 1c2n n LEU 87 Ca 0.15 -0.11 -0.31 0.00 -1.11 0.00 0.00 56.01 54.63 1c2n n LEU 87 Cb 0.34 -0.14 -0.02 0.00 0.53 0.00 0.00 43.42 44.13 1c2n n LEU 87 CO 0.24 0.12 -0.13 -0.67 -1.11 0.00 0.00 177.39 175.84 1c2n n ASP 88 N -0.77 -1.84 -3.77 1.96 2.03 0.01 -4.96 116.55 109.21 1c2n n ASP 88 Ca 0.15 -1.01 -0.27 0.00 0.52 0.00 0.00 54.79 54.18 1c2n n ASP 88 Cb 0.29 -2.92 -0.16 0.00 -0.72 0.00 0.00 41.12 37.61 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 -3.84 2.85 0.58 1.67 2.15 -0.09 -5.01 116.67 114.99 1c2n s ASP 89 Ca 0.36 -0.76 0.28 0.00 0.43 0.00 0.00 52.55 52.86 1c2n s ASP 89 Cb -0.20 -0.67 1.65 0.00 -0.30 0.00 0.00 42.92 43.40 1c2n s ASP 89 CO 0.91 -0.27 2.13 0.11 -0.17 0.00 0.00 175.17 177.87 1c2n h LYS 90 N 8.21 0.00 -0.60 4.34 6.56 -1.93 0.02 116.57 133.18 1c2n h LYS 90 Ca -0.18 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.41 1c2n h LYS 90 Cb 1.12 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.78 1c2n h LYS 90 CO 0.34 0.00 0.00 1.63 -2.06 0.00 0.00 179.45 179.36 1c2n n LYS 91 N -3.89 2.41 -1.97 3.15 5.02 -1.26 -4.77 118.16 116.86 1c2n n LYS 91 Ca 0.01 -2.19 -0.42 0.00 -2.02 0.00 0.00 58.31 53.68 1c2n n LYS 91 Cb 0.28 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1c2n n LYS 91 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c2n n ALA 92 N 1.29 5.01 -2.69 7.82 0.00 -0.01 -4.89 120.51 127.04 1c2n n ALA 92 Ca 0.20 -3.88 -0.39 0.00 0.00 0.00 0.00 53.44 49.38 1c2n n ALA 92 Cb 0.52 -3.55 -0.06 0.00 0.00 0.00 0.00 19.45 16.36 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 3.42 4.26 0.64 0.00 2.47 -1.26 -3.95 119.74 125.31 1c2n s LYS 93 Ca 0.49 0.43 -0.11 0.00 -1.56 0.00 0.00 55.97 55.22 1c2n s LYS 93 Cb 0.11 -3.51 -0.02 0.00 -1.46 0.00 0.00 37.83 32.96 1c2n s LYS 93 CO -0.04 -0.01 1.03 -0.08 0.16 0.00 0.00 175.35 176.41 1c2n s THR 94 N 1.18 4.21 -0.15 3.43 -1.32 -1.26 -4.64 115.64 117.08 1c2n s THR 94 Ca 0.25 0.64 0.21 0.00 -1.21 0.00 0.00 61.69 61.58 1c2n s THR 94 Cb -0.15 -3.70 0.22 0.00 -1.51 0.00 0.00 72.50 67.36 1c2n s THR 94 CO 0.10 -0.90 1.63 1.23 -2.21 0.00 0.00 174.62 174.47 1c2n h GLY 95 N -0.40 0.00 -7.39 6.08 0.00 -2.00 -3.42 103.07 95.94 1c2n h GLY 95 Ca -0.45 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.61 1c2n h GLY 95 CO 0.63 0.00 0.88 -0.29 0.00 0.00 0.00 176.54 177.76 1c2n s MET 96 N -3.26 2.28 -1.29 4.80 -2.45 -1.26 -4.80 119.30 113.31 1c2n s MET 96 Ca 0.04 -0.98 -0.09 0.00 -1.25 0.00 0.00 55.69 53.41 1c2n s MET 96 Cb 0.07 -5.19 -0.10 0.00 1.25 0.00 0.00 34.83 30.87 1c2n s MET 96 CO 0.68 -4.19 3.04 0.00 1.05 0.00 0.00 175.02 175.60 1c2n n ALA 97 N 15.24 7.29 -3.52 4.11 0.00 -1.26 -4.74 120.51 137.63 1c2n n ALA 97 Ca 0.44 -3.26 -0.18 0.00 0.00 0.00 0.00 53.44 50.44 1c2n n ALA 97 Cb 0.47 -3.12 -0.06 0.00 0.00 0.00 0.00 19.45 16.74 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 -0.65 0.05 0.00 2.19 -1.26 -5.18 117.98 114.76 1c2n s PHE 98 Ca 0.68 1.09 -0.03 0.00 0.33 0.00 0.00 56.93 58.99 1c2n s PHE 98 Cb 0.21 0.42 -0.03 0.00 -1.31 0.00 0.00 43.02 42.31 1c2n s PHE 98 CO -0.06 -0.61 0.03 -1.59 1.83 0.00 0.00 175.22 174.82 1c2n s LYS 99 N -1.30 0.63 -0.39 10.12 -2.85 -1.26 -4.67 119.74 120.02 1c2n s LYS 99 Ca -0.10 -1.04 -0.04 0.00 -1.00 0.00 0.00 55.97 53.78 1c2n s LYS 99 Cb -0.00 0.23 0.09 0.00 -2.06 0.00 0.00 37.83 36.09 1c2n s LYS 99 CO 0.09 -0.14 0.19 -1.17 0.10 0.00 0.00 175.35 174.41 1c2n s LEU 100 N -2.66 5.02 -1.13 2.77 2.96 0.22 -5.00 118.68 120.86 1c2n s LEU 100 Ca 0.03 -1.78 -0.16 0.00 -0.22 0.00 0.00 54.13 52.00 1c2n s LEU 100 Cb 0.04 -1.85 -0.06 0.00 0.50 0.00 0.00 46.19 44.82 1c2n s LEU 100 CO -0.09 -0.50 2.17 0.00 -1.32 0.00 0.00 176.35 176.61 1c2n n ALA 101 N 4.68 4.75 0.00 5.97 0.00 -1.26 -4.14 120.51 130.51 1c2n n ALA 101 Ca -0.06 -3.38 0.00 0.00 0.00 0.00 0.00 53.44 50.00 1c2n n ALA 101 Cb 0.42 -3.49 0.00 0.00 0.00 0.00 0.00 19.45 16.38 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 5.97 0.00 0.00 0.00 4.76 -1.26 -5.03 118.16 122.60 1c2n n LYS 102 Ca 0.53 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.97 1c2n n LYS 102 Cb 0.35 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.54 1c2n n LYS 102 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1c2n n GLY 103 N 0.43 1.83 0.33 0.72 0.00 -1.26 -4.99 105.19 102.25 1c2n n GLY 103 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 1.64 0.95 -0.02 0.00 -1.85 0.13 103.07 103.92 1c2n h GLY 104 Ca 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.09 1c2n h GLY 104 CO 0.00 -0.18 0.22 1.05 0.00 0.00 0.00 176.54 177.63 1c2n h GLU 105 N 0.55 0.44 -0.07 4.80 9.09 -1.92 0.20 114.58 127.67 1c2n h GLU 105 Ca 0.56 -0.03 -0.00 0.00 0.05 0.00 0.00 59.36 59.95 1c2n h GLU 105 Cb 0.99 -0.10 -0.00 0.00 -1.65 0.00 0.00 28.75 27.99 1c2n h GLU 105 CO -0.46 0.29 0.04 0.22 0.05 0.00 0.00 179.01 179.16 1c2n h ASP 106 N 0.46 0.09 -0.39 3.06 3.58 -1.17 0.21 116.42 122.26 1c2n h ASP 106 Ca 0.14 -0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 1c2n h ASP 106 Cb -0.02 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 1c2n h ASP 106 CO -0.05 0.15 0.14 0.58 -2.88 0.00 0.00 179.24 177.18 1c2n h VAL 107 N 0.03 1.20 -0.66 2.25 2.07 -0.99 -1.13 116.25 119.02 1c2n h VAL 107 Ca 0.03 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 66.92 1c2n h VAL 107 Cb 0.08 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1c2n h VAL 107 CO -0.00 0.23 0.42 0.00 0.02 0.00 0.00 177.57 178.23 1c2n h ALA 108 N 0.99 0.85 -0.60 1.67 0.00 -0.37 0.61 119.26 122.40 1c2n h ALA 108 Ca 0.13 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1c2n h ALA 108 Cb 0.22 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1c2n h ALA 108 CO -0.01 0.20 0.40 0.00 0.00 0.00 0.00 179.25 179.84 1c2n h ALA 109 N 1.27 0.77 -0.19 0.00 0.00 -0.65 0.11 119.26 120.56 1c2n h ALA 109 Ca 0.26 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1c2n h ALA 109 Cb -0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1c2n h ALA 109 CO -0.09 0.19 0.01 -0.92 0.00 0.00 0.00 179.25 178.44 1c2n h TYR 110 N 0.81 0.00 -0.62 0.00 3.20 -0.33 0.11 116.97 120.14 1c2n h TYR 110 Ca 0.22 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.14 1c2n h TYR 110 Cb -0.08 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 1c2n h TYR 110 CO -0.03 -0.02 0.37 -0.07 -1.64 0.00 0.00 178.16 176.77 1c2n h LEU 111 N 0.07 0.60 -1.46 2.82 3.38 -0.39 0.13 115.31 120.46 1c2n h LEU 111 Ca 0.09 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1c2n h LEU 111 Cb 0.11 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1c2n h LEU 111 CO -0.15 0.41 0.40 0.00 0.09 0.00 0.00 178.44 179.19 1c2n h ALA 112 N 1.28 1.68 -0.17 1.53 0.00 -0.30 -0.64 119.26 122.63 1c2n h ALA 112 Ca 0.26 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.95 1c2n h ALA 112 Cb 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1c2n h ALA 112 CO -0.12 0.26 -0.66 0.77 0.00 0.00 0.00 179.25 179.51 1c2n h SER 113 N 0.71 0.75 -0.09 0.00 0.02 0.11 -3.33 113.55 111.71 1c2n h SER 113 Ca 0.24 -0.45 -0.03 0.00 -0.84 0.00 0.00 61.79 60.71 1c2n h SER 113 Cb 0.07 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 1c2n h SER 113 CO -0.06 1.21 -0.07 0.58 -1.14 0.00 0.00 176.83 177.34 1c2n h VAL 114 N 0.48 1.35 -1.69 2.27 2.07 0.24 -3.45 116.25 117.52 1c2n h VAL 114 Ca -0.02 -1.18 -0.68 0.00 0.82 0.00 0.00 66.70 65.64 1c2n h VAL 114 Cb 1.25 1.93 0.01 0.00 -1.52 0.00 0.00 31.29 32.96 1c2n h VAL 114 CO 0.13 0.33 1.06 0.55 0.02 0.00 0.00 177.57 179.66 1c2n n VAL 115 N -4.69 0.41 -1.34 2.57 3.14 -0.35 -4.86 118.33 113.21 1c2n n VAL 115 Ca -0.07 -0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1c2n n VAL 115 Cb 0.30 -1.56 0.00 0.00 -1.06 0.00 0.00 33.84 31.52 1c2n n VAL 115 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66