#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 5.94 0.34 1.61 1.01 -1.26 -4.80 116.67 119.51 1c2n s ASP 2 Ca 0.00 -1.83 0.13 0.00 0.71 0.00 0.00 52.55 51.56 1c2n s ASP 2 Cb 0.00 -2.58 1.04 0.00 1.01 0.00 0.00 42.92 42.39 1c2n s ASP 2 CO 0.00 -2.09 1.67 0.00 0.21 0.00 0.00 175.17 174.96 1c2n h ALA 3 N 9.07 1.89 -0.29 5.23 0.00 -1.87 0.31 119.26 133.59 1c2n h ALA 3 Ca 0.29 0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.42 1c2n h ALA 3 Cb 0.93 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1c2n h ALA 3 CO 1.34 -0.54 0.11 0.00 0.00 0.00 0.00 179.25 180.17 1c2n h ALA 4 N 1.84 0.34 -0.46 0.00 0.00 -1.89 0.88 119.26 119.96 1c2n h ALA 4 Ca 0.71 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.61 1c2n h ALA 4 Cb 1.60 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1c2n h ALA 4 CO -0.60 -0.29 0.12 0.87 0.00 0.00 0.00 179.25 179.35 1c2n h LYS 5 N 0.25 0.73 -0.60 0.00 1.79 -0.86 -3.03 116.57 114.85 1c2n h LYS 5 Ca 0.13 -0.17 0.12 0.00 -2.18 0.00 0.00 60.65 58.55 1c2n h LYS 5 Cb 0.08 -0.10 -0.10 0.00 -1.58 0.00 0.00 32.23 30.53 1c2n h LYS 5 CO -0.12 0.72 -0.03 0.78 -1.08 0.00 0.00 179.45 179.72 1c2n h GLY 6 N 0.61 0.60 0.41 3.86 0.00 -0.16 0.14 103.07 108.53 1c2n h GLY 6 Ca 0.14 0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.61 1c2n h GLY 6 CO 0.00 -0.20 -0.28 -2.09 0.00 0.00 0.00 176.54 173.97 1c2n h GLU 7 N 0.09 -0.43 -0.18 4.80 4.57 -0.74 0.22 114.58 122.92 1c2n h GLU 7 Ca 0.31 0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.52 1c2n h GLU 7 Cb 0.49 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1c2n h GLU 7 CO -0.53 -0.28 0.10 0.87 -1.18 0.00 0.00 179.01 177.99 1c2n h LYS 8 N -0.44 0.21 -0.60 1.92 1.79 -1.24 -2.17 116.57 116.04 1c2n h LYS 8 Ca 0.05 -0.01 0.09 0.00 -2.18 0.00 0.00 60.65 58.60 1c2n h LYS 8 Cb 0.51 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.08 1c2n h LYS 8 CO -0.22 0.14 0.40 1.49 -1.08 0.00 0.00 179.45 180.18 1c2n h GLU 9 N 0.22 0.42 -0.06 3.15 4.81 -0.41 -0.10 114.58 122.60 1c2n h GLU 9 Ca 0.07 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1c2n h GLU 9 Cb -0.01 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1c2n h GLU 9 CO -0.03 0.28 0.31 0.35 -0.73 0.00 0.00 179.01 179.19 1c2n h PHE 10 N 0.43 0.00 -1.14 0.92 3.57 0.11 -0.50 116.94 120.33 1c2n h PHE 10 Ca 0.27 0.00 0.33 0.00 3.53 0.00 0.00 57.97 62.11 1c2n h PHE 10 Cb 0.51 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.14 1c2n h PHE 10 CO -0.00 0.00 0.74 -0.97 -2.23 0.00 0.00 178.31 175.84 1c2n h ASN 11 N 0.00 0.36 0.44 0.41 -0.73 -1.09 0.24 115.58 115.21 1c2n h ASN 11 Ca 0.03 0.11 -0.02 0.00 1.87 0.00 0.00 56.30 58.28 1c2n h ASN 11 Cb 0.64 0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.30 1c2n h ASN 11 CO -0.00 -0.03 -0.21 0.11 -0.37 0.00 0.00 177.43 176.93 1c2n h LYS 12 N 0.27 -0.57 -0.98 6.67 1.57 -1.32 -3.28 116.57 118.93 1c2n h LYS 12 Ca 0.68 0.04 0.20 0.00 -1.87 0.00 0.00 60.65 59.70 1c2n h LYS 12 Cb 1.93 0.13 -0.11 0.00 0.08 0.00 0.00 32.23 34.26 1c2n h LYS 12 CO -0.35 -0.28 0.57 0.00 -0.57 0.00 0.00 179.45 178.82 1c2n h LYS 14 N 0.69 0.18 -0.48 0.00 3.64 -0.67 0.22 116.57 120.16 1c2n h LYS 14 Ca 0.58 -0.01 0.14 0.00 -1.27 0.00 0.00 60.65 60.08 1c2n h LYS 14 Cb 0.94 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 1c2n h LYS 14 CO -0.41 0.12 0.35 1.15 -2.27 0.00 0.00 179.45 178.39 1c2n h THR 15 N 0.19 0.75 0.00 1.00 2.02 -1.41 -0.30 112.91 115.15 1c2n h THR 15 Ca 0.71 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.89 1c2n h THR 15 Cb 2.18 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 1c2n h THR 15 CO -0.32 0.00 -0.83 0.00 0.37 0.00 0.00 175.52 174.74 1c2n s HIS 17 N -1.79 2.49 0.20 0.00 3.76 0.50 -0.00 115.29 120.46 1c2n s HIS 17 Ca 0.00 -0.59 -0.07 0.00 -0.15 0.00 0.00 55.06 54.26 1c2n s HIS 17 Cb 0.00 -1.64 -0.02 0.00 1.11 0.00 0.00 32.58 32.02 1c2n s HIS 17 CO 0.00 0.47 0.27 -1.54 -0.85 0.00 0.00 174.74 173.09 1c2n s SER 18 N -3.70 0.06 -0.21 1.40 1.04 -0.92 -2.69 113.70 108.68 1c2n s SER 18 Ca 0.35 -1.10 -0.03 0.00 0.48 0.00 0.00 55.95 55.64 1c2n s SER 18 Cb 0.06 0.45 0.07 0.00 0.10 0.00 0.00 66.02 66.70 1c2n s SER 18 CO 0.18 -0.94 0.06 -0.63 0.98 0.00 0.00 173.24 172.90 1c2n s ILE 19 N -4.06 0.37 -0.03 -1.02 1.09 -1.20 -0.33 121.20 116.02 1c2n s ILE 19 Ca 0.27 -0.59 0.04 0.00 -1.10 0.00 0.00 60.65 59.27 1c2n s ILE 19 Cb 0.04 -1.00 -0.00 0.00 -1.06 0.00 0.00 42.46 40.43 1c2n s ILE 19 CO 0.07 -0.34 -0.14 -0.51 -0.10 0.00 0.00 174.94 173.93 1c2n s ILE 20 N 1.92 1.12 0.57 2.92 2.07 -1.26 -0.91 121.20 127.62 1c2n s ILE 20 Ca 0.02 -0.57 -0.17 0.00 -1.41 0.00 0.00 60.65 58.52 1c2n s ILE 20 Cb -0.17 -0.96 -0.04 0.00 0.13 0.00 0.00 42.46 41.42 1c2n s ILE 20 CO -0.13 0.33 1.09 0.00 -1.91 0.00 0.00 174.94 174.31 1c2n s ALA 21 N -0.06 2.69 0.31 1.50 0.00 0.11 -4.77 121.76 121.54 1c2n s ALA 21 Ca 0.00 0.60 0.08 0.00 0.00 0.00 0.00 51.96 52.64 1c2n s ALA 21 Cb -0.08 -3.29 0.83 0.00 0.00 0.00 0.00 23.12 20.58 1c2n s ALA 21 CO 0.01 -0.81 1.74 -1.35 0.00 0.00 0.00 175.76 175.35 1c2n h PRO 22 N 0.78 0.62 0.00 0.00 0.11 -1.99 0.12 132.00 131.63 1c2n h PRO 22 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1c2n h PRO 22 Cb 1.24 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1c2n h PRO 22 CO 0.57 0.41 0.00 -0.40 -0.21 0.00 0.00 178.00 178.37 1c2n n ASP 23 N -4.85 0.46 0.00 -2.05 5.68 -1.26 -4.87 116.55 109.65 1c2n n ASP 23 Ca 0.26 0.63 0.00 0.00 -0.50 0.00 0.00 54.79 55.18 1c2n n ASP 23 Cb 0.68 -0.72 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 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 -0.31 0.82 3.56 6.12 0.00 0.40 -5.05 105.19 110.73 1c2n n GLY 24 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 3.05 -1.31 2.61 2.01 -1.24 -4.73 115.64 114.02 1c2n s THR 25 Ca 0.00 0.03 -0.17 0.00 0.31 0.00 0.00 61.69 61.86 1c2n s THR 25 Cb 0.00 -3.11 0.04 0.00 0.01 0.00 0.00 72.50 69.44 1c2n s THR 25 CO 0.00 -0.10 1.92 -1.84 -0.69 0.00 0.00 174.62 173.91 1c2n n GLU 26 N 8.96 2.87 -0.19 4.92 -0.00 -1.26 -0.71 120.64 135.23 1c2n n GLU 26 Ca 0.34 -2.93 0.00 0.00 -0.00 0.00 0.00 57.16 54.57 1c2n n GLU 26 Cb 0.52 -3.42 0.10 0.00 -0.00 0.00 0.00 31.44 28.64 1c2n n GLU 26 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1c2n h ILE 27 N 5.07 0.68 -3.78 3.84 5.03 -1.82 -3.29 117.51 123.24 1c2n h ILE 27 Ca 0.47 -0.10 -0.67 0.00 -0.12 0.00 0.00 64.86 64.44 1c2n h ILE 27 Cb 0.79 0.37 -0.37 0.00 -3.03 0.00 0.00 36.82 34.59 1c2n h ILE 27 CO 1.60 0.05 -0.74 -0.69 -0.68 0.00 0.00 178.15 177.69 1c2n s VAL 28 N -6.11 2.44 -0.68 1.67 1.01 -0.09 -4.99 120.40 113.66 1c2n s VAL 28 Ca -0.13 -1.79 -0.06 0.00 0.00 0.00 0.00 61.98 59.99 1c2n s VAL 28 Cb 0.17 -2.54 -0.13 0.00 0.00 0.00 0.00 36.38 33.88 1c2n s VAL 28 CO 0.74 -0.23 2.70 0.29 0.00 0.00 0.00 175.10 178.59 1c2n n LYS 29 N 4.44 2.25 -1.86 2.72 5.02 -1.24 -3.23 118.16 126.25 1c2n n LYS 29 Ca -0.09 -1.33 -0.09 0.00 -2.02 0.00 0.00 58.31 54.79 1c2n n LYS 29 Cb 0.42 -2.28 0.03 0.00 -0.02 0.00 0.00 35.03 33.18 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 3.19 1.88 1.85 0.72 0.00 -1.26 -5.07 105.19 106.50 1c2n n GLY 30 Ca 0.48 -2.16 -0.14 0.00 0.00 0.00 0.00 46.02 44.20 1c2n n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c2n n ALA 31 N -2.72 -0.63 -2.16 4.61 0.00 -0.13 -4.61 120.51 114.87 1c2n n ALA 31 Ca -0.06 -0.84 0.04 0.00 0.00 0.00 0.00 53.44 52.58 1c2n n ALA 31 Cb 0.27 -0.02 0.07 0.00 0.00 0.00 0.00 19.45 19.77 1c2n n ALA 31 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1c2n n LYS 32 N -2.29 0.42 -0.05 0.00 -0.00 -1.13 -2.16 118.16 112.95 1c2n n LYS 32 Ca 0.08 -2.20 0.01 0.00 -0.00 0.00 0.00 58.31 56.20 1c2n n LYS 32 Cb 0.28 -0.50 0.33 0.00 -0.00 0.00 0.00 35.03 35.13 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 5.31 1.16 -2.04 0.58 2.02 -0.74 -3.42 112.91 115.78 1c2n h THR 33 Ca -0.14 -0.47 -0.58 0.00 0.77 0.00 0.00 66.41 65.99 1c2n h THR 33 Cb 1.59 0.59 -0.11 0.00 -1.74 0.00 0.00 68.15 68.48 1c2n h THR 33 CO 0.06 0.19 -0.65 -0.83 0.37 0.00 0.00 175.52 174.66 1c2n s GLY 34 N -3.68 1.94 0.72 2.16 0.00 -0.14 -5.03 107.32 103.29 1c2n s GLY 34 Ca -0.09 -1.88 -0.16 0.00 0.00 0.00 0.00 44.72 42.60 1c2n s GLY 34 CO 0.76 -1.87 0.89 -1.05 0.00 0.00 0.00 173.10 171.83 1c2n n PRO 35 N -0.88 0.48 -2.00 2.90 -0.02 -1.26 -4.57 135.00 129.65 1c2n n PRO 35 Ca -0.05 0.22 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 1c2n n PRO 35 Cb 0.61 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 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 -1.59 6.66 -0.08 2.55 3.84 -1.26 -4.50 114.94 120.56 1c2n s ASN 36 Ca 0.72 2.46 0.08 0.00 0.21 0.00 0.00 52.86 56.33 1c2n s ASN 36 Cb -0.35 -2.58 0.38 0.00 -0.55 0.00 0.00 41.25 38.15 1c2n s ASN 36 CO 0.51 -0.81 1.17 0.18 -2.79 0.00 0.00 177.10 175.37 1c2n n LEU 37 N 4.78 2.85 -4.57 3.21 4.77 0.55 -4.81 117.00 123.78 1c2n n LEU 37 Ca 0.14 -1.44 -0.18 0.00 -0.03 0.00 0.00 56.01 54.50 1c2n n LEU 37 Cb 0.41 -0.47 -0.07 0.00 -2.33 0.00 0.00 43.42 40.95 1c2n n LEU 37 CO 0.61 0.45 1.25 -0.47 -1.33 0.00 0.00 177.39 177.90 1c2n s TYR 38 N -1.74 1.39 0.00 -1.77 6.14 -1.26 -1.97 117.35 118.14 1c2n s TYR 38 Ca 0.26 1.60 0.00 0.00 0.64 0.00 0.00 57.07 59.57 1c2n s TYR 38 Cb 0.18 -3.61 0.00 0.00 0.42 0.00 0.00 41.96 38.95 1c2n s TYR 38 CO 0.11 -1.40 0.00 0.41 0.64 0.00 0.00 175.55 175.31 1c2n n GLY 39 N 6.61 0.63 0.19 8.97 0.00 -1.26 -4.98 105.19 115.34 1c2n n GLY 39 Ca 0.44 -0.42 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 1.32 -2.15 1.61 3.04 -1.71 -3.40 116.25 114.95 1c2n h VAL 40 Ca 0.00 -1.55 -0.57 0.00 -1.01 0.00 0.00 66.70 63.57 1c2n h VAL 40 Cb 0.76 1.75 0.02 0.00 -2.01 0.00 0.00 31.29 31.81 1c2n h VAL 40 CO 0.00 0.46 1.22 0.52 -1.01 0.00 0.00 177.57 178.75 1c2n n VAL 41 N -4.01 0.64 0.00 1.51 0.31 -1.26 -0.42 118.33 115.10 1c2n n VAL 41 Ca -0.02 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1c2n n VAL 41 Cb 0.48 -2.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.26 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 4.69 1.54 3.75 2.92 0.00 0.92 -4.99 105.19 114.03 1c2n n GLY 42 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.50 4.39 0.28 1.61 6.06 0.44 -4.44 118.95 126.80 1c2n s ARG 43 Ca 0.00 2.10 -0.30 0.00 -2.50 0.00 0.00 55.73 55.03 1c2n s ARG 43 Cb 0.00 -3.15 -0.11 0.00 0.06 0.00 0.00 34.95 31.75 1c2n s ARG 43 CO 0.00 -0.20 1.52 0.99 -2.50 0.00 0.00 175.30 175.11 1c2n s THR 44 N -0.42 2.31 0.19 4.11 2.01 -1.26 -0.94 115.64 121.63 1c2n s THR 44 Ca 0.53 0.26 -0.33 0.00 0.31 0.00 0.00 61.69 62.46 1c2n s THR 44 Cb -0.38 -3.17 -0.14 0.00 0.01 0.00 0.00 72.50 68.83 1c2n s THR 44 CO 0.44 0.04 1.54 0.00 -0.69 0.00 0.00 174.62 175.95 1c2n n ALA 45 N 2.14 1.40 -2.57 7.40 0.00 -0.59 -2.31 120.51 125.98 1c2n n ALA 45 Ca 0.07 0.43 -0.09 0.00 0.00 0.00 0.00 53.44 53.86 1c2n n ALA 45 Cb 0.39 -2.34 0.01 0.00 0.00 0.00 0.00 19.45 17.51 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 3.09 0.20 0.00 0.00 0.00 -1.26 -3.84 105.19 103.38 1c2n n GLY 46 Ca 0.15 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.74 0.05 -1.82 2.61 -2.24 -0.98 -4.71 114.28 103.44 1c2n n THR 47 Ca -0.05 -0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 1c2n n THR 47 Cb 0.55 1.57 -0.03 0.00 -2.10 0.00 0.00 70.33 70.32 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 -0.05 2.69 0.87 4.78 6.14 -1.26 -4.91 117.35 125.62 1c2n s TYR 48 Ca 0.00 0.34 -0.13 0.00 0.64 0.00 0.00 57.07 57.92 1c2n s TYR 48 Cb 0.00 -4.05 0.04 0.00 0.42 0.00 0.00 41.96 38.37 1c2n s TYR 48 CO 0.00 -4.09 0.68 -0.35 0.64 0.00 0.00 175.55 172.44 1c2n n PRO 49 N 4.66 -0.09 -3.53 4.97 -0.04 -1.26 -4.12 135.00 135.59 1c2n n PRO 49 Ca 0.16 0.03 -0.20 0.00 -0.04 0.00 0.00 63.50 63.45 1c2n n PRO 49 Cb 0.38 -2.03 0.02 0.00 -0.04 0.00 0.00 33.50 31.82 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 -1.35 -3.58 0.54 4.71 -1.26 -4.80 120.64 112.78 1c2n n GLU 50 Ca 0.09 0.87 -0.02 0.00 -0.01 0.00 0.00 57.16 58.09 1c2n n GLU 50 Cb 0.52 -4.04 -0.05 0.00 -1.01 0.00 0.00 31.44 26.86 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 -3.17 -0.97 -0.91 -0.32 5.36 -1.26 -4.90 117.98 111.81 1c2n s PHE 51 Ca 0.18 1.76 -0.25 0.00 -0.96 0.00 0.00 56.93 57.67 1c2n s PHE 51 Cb -0.06 0.58 0.04 0.00 -0.34 0.00 0.00 43.02 43.24 1c2n s PHE 51 CO 0.84 -0.48 1.39 0.21 -1.46 0.00 0.00 175.22 175.72 1c2n s LYS 52 N 2.25 3.43 0.02 10.12 2.47 -1.26 -4.99 119.74 131.79 1c2n s LYS 52 Ca -0.06 -0.78 -0.00 0.00 -1.56 0.00 0.00 55.97 53.56 1c2n s LYS 52 Cb -0.07 -4.91 0.01 0.00 -1.46 0.00 0.00 37.83 31.39 1c2n s LYS 52 CO -0.18 -2.19 0.03 0.66 0.16 0.00 0.00 175.35 173.83 1c2n n TYR 53 N 9.11 -3.80 -4.42 4.03 4.01 -1.26 -5.12 117.16 119.70 1c2n n TYR 53 Ca 0.22 -0.03 -0.28 0.00 -0.16 0.00 0.00 57.90 57.65 1c2n n TYR 53 Cb 0.50 -0.03 -0.08 0.00 -0.31 0.00 0.00 39.34 39.42 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 -3.07 2.12 0.29 -0.72 -0.14 -1.26 -5.06 119.74 111.90 1c2n s LYS 54 Ca 0.02 -2.07 -0.00 0.00 -1.36 0.00 0.00 55.97 52.55 1c2n s LYS 54 Cb -0.00 -1.77 0.43 0.00 -1.68 0.00 0.00 37.83 34.81 1c2n s LYS 54 CO 0.01 -0.18 1.84 0.22 -0.76 0.00 0.00 175.35 176.48 1c2n h ASP 55 N 1.48 0.74 0.41 2.83 3.58 -1.96 -2.80 116.42 120.70 1c2n h ASP 55 Ca -0.43 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 56.87 1c2n h ASP 55 Cb 1.26 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.13 1c2n h ASP 55 CO 0.74 0.73 -0.20 0.77 -2.88 0.00 0.00 179.24 178.40 1c2n h SER 56 N 0.77 -0.47 -0.79 2.28 4.64 -1.83 0.11 113.55 118.26 1c2n h SER 56 Ca 0.17 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1c2n h SER 56 Cb 0.28 0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.45 1c2n h SER 56 CO -0.00 -0.32 0.51 -0.29 -0.87 0.00 0.00 176.83 175.86 1c2n h ILE 57 N -0.57 1.21 -0.17 0.95 2.10 -1.76 0.49 117.51 119.77 1c2n h ILE 57 Ca -0.06 -0.40 -0.01 0.00 1.08 0.00 0.00 64.86 65.48 1c2n h ILE 57 Cb 0.42 0.05 -0.01 0.00 -1.09 0.00 0.00 36.82 36.20 1c2n h ILE 57 CO 0.09 0.21 0.08 0.58 -1.08 0.00 0.00 178.15 178.02 1c2n h VAL 58 N 1.08 1.14 -0.43 2.19 2.07 -1.51 -0.54 116.25 120.25 1c2n h VAL 58 Ca 0.29 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1c2n h VAL 58 Cb -0.10 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1c2n h VAL 58 CO -0.06 0.13 0.29 0.00 0.02 0.00 0.00 177.57 177.94 1c2n h ALA 59 N 0.93 0.55 -0.37 1.67 0.00 0.04 0.17 119.26 122.26 1c2n h ALA 59 Ca 0.06 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1c2n h ALA 59 Cb 0.14 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1c2n h ALA 59 CO -0.01 -0.00 0.05 1.25 0.00 0.00 0.00 179.25 180.54 1c2n h LEU 60 N 0.58 -0.03 0.23 0.00 7.12 -0.68 0.62 115.31 123.15 1c2n h LEU 60 Ca 0.16 0.07 0.01 0.00 0.13 0.00 0.00 57.88 58.25 1c2n h LEU 60 Cb -0.06 0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 40.14 1c2n h LEU 60 CO -0.04 0.02 -0.31 1.23 -0.13 0.00 0.00 178.44 179.21 1c2n h GLY 61 N 0.17 -0.66 1.31 3.75 0.00 -0.58 -2.10 103.07 104.96 1c2n h GLY 61 Ca 0.18 0.36 0.09 0.00 0.00 0.00 0.00 47.33 47.95 1c2n h GLY 61 CO -0.25 -0.26 0.26 0.00 0.00 0.00 0.00 176.54 176.29 1c2n h ALA 62 N 0.00 2.11 0.00 3.60 0.00 -0.09 0.21 119.26 125.09 1c2n h ALA 62 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1c2n h ALA 62 Cb 0.58 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1c2n h ALA 62 CO -0.11 -0.42 0.00 0.43 0.00 0.00 0.00 179.25 179.15 1c2n n SER 63 N -4.10 0.00 0.00 0.00 7.64 0.16 -4.78 113.62 112.54 1c2n n SER 63 Ca 0.04 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1c2n n SER 63 Cb 0.42 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 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 -0.24 1.42 3.57 0.23 0.00 0.58 -5.10 105.19 105.65 1c2n n GLY 64 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 3.20 -0.11 1.61 2.19 -0.20 -5.05 117.98 117.61 1c2n s PHE 65 Ca 0.00 -0.06 0.02 0.00 0.33 0.00 0.00 56.93 57.22 1c2n s PHE 65 Cb 0.00 -2.21 -0.01 0.00 -1.31 0.00 0.00 43.02 39.49 1c2n s PHE 65 CO 0.00 -0.09 -0.20 0.00 1.83 0.00 0.00 175.22 176.77 1c2n s ALA 66 N 1.13 2.35 0.47 11.12 0.00 -1.26 -1.54 121.76 134.03 1c2n s ALA 66 Ca 0.05 -0.94 -0.24 0.00 0.00 0.00 0.00 51.96 50.83 1c2n s ALA 66 Cb -0.14 -0.97 -0.07 0.00 0.00 0.00 0.00 23.12 21.94 1c2n s ALA 66 CO 0.04 0.28 1.41 -1.58 0.00 0.00 0.00 175.76 175.91 1c2n s TRP 67 N 0.32 2.42 0.32 0.00 0.23 -0.12 -4.84 118.94 117.28 1c2n s TRP 67 Ca -0.15 1.29 0.04 0.00 -2.03 0.00 0.00 56.10 55.25 1c2n s TRP 67 Cb -0.17 -3.89 -0.06 0.00 0.03 0.00 0.00 33.47 29.38 1c2n s TRP 67 CO 0.07 -2.92 0.06 0.95 0.96 0.00 0.00 176.95 176.08 1c2n s THR 68 N -1.23 1.17 0.18 2.01 -4.23 -1.26 -0.05 115.64 112.22 1c2n s THR 68 Ca 0.63 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 59.01 1c2n s THR 68 Cb -0.43 -2.79 0.07 0.00 1.34 0.00 0.00 72.50 70.70 1c2n s THR 68 CO 0.54 0.00 1.81 -0.33 -0.54 0.00 0.00 174.62 176.10 1c2n h GLU 69 N 2.11 0.59 -0.19 3.99 4.39 -1.96 0.12 114.58 123.64 1c2n h GLU 69 Ca -0.41 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.23 1c2n h GLU 69 Cb 1.24 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 1c2n h GLU 69 CO 0.69 0.39 -0.01 1.05 -1.16 0.00 0.00 179.01 179.98 1c2n h GLU 70 N 0.61 0.34 -0.29 2.33 4.11 -1.97 -0.26 114.58 119.44 1c2n h GLU 70 Ca 0.21 -0.11 -0.01 0.00 0.07 0.00 0.00 59.36 59.52 1c2n h GLU 70 Cb 0.03 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1c2n h GLU 70 CO -0.10 0.55 0.14 -0.44 0.07 0.00 0.00 179.01 179.23 1c2n h ASP 71 N 0.08 0.37 0.09 3.06 3.32 -1.88 0.31 116.42 121.78 1c2n h ASP 71 Ca 0.05 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.00 1c2n h ASP 71 Cb 0.40 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1c2n h ASP 71 CO 0.01 0.39 -0.17 0.40 -1.72 0.00 0.00 179.24 178.15 1c2n h ILE 72 N 0.33 0.62 -0.51 0.35 2.04 -0.70 0.23 117.51 119.87 1c2n h ILE 72 Ca 0.10 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.05 1c2n h ILE 72 Cb 0.11 0.62 -0.07 0.00 -0.74 0.00 0.00 36.82 36.74 1c2n h ILE 72 CO -0.01 0.00 0.11 0.00 0.00 0.00 0.00 178.15 178.25 1c2n h ALA 73 N 0.54 0.58 -0.42 1.87 0.00 -0.79 -1.04 119.26 119.99 1c2n h ALA 73 Ca 0.03 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1c2n h ALA 73 Cb 0.34 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1c2n h ALA 73 CO -0.10 -0.30 0.11 1.15 0.00 0.00 0.00 179.25 180.12 1c2n h THR 74 N 0.25 1.23 0.07 0.00 2.02 -0.47 -3.04 112.91 112.96 1c2n h THR 74 Ca 0.26 -0.77 0.02 0.00 0.77 0.00 0.00 66.41 66.69 1c2n h THR 74 Cb 0.34 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 1c2n h THR 74 CO -0.33 0.27 -0.21 0.22 0.37 0.00 0.00 175.52 175.84 1c2n h TYR 75 N 0.54 -0.56 -1.00 3.16 3.20 0.23 -1.93 116.97 120.62 1c2n h TYR 75 Ca 0.13 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.09 1c2n h TYR 75 Cb 0.30 0.24 -0.07 0.00 1.54 0.00 0.00 36.73 38.74 1c2n h TYR 75 CO 0.02 -0.30 0.64 -0.39 -1.64 0.00 0.00 178.16 176.48 1c2n h VAL 76 N -0.37 1.07 0.00 1.81 -1.51 -1.23 0.63 116.25 116.63 1c2n h VAL 76 Ca 0.04 -0.39 -0.02 0.00 -1.23 0.00 0.00 66.70 65.09 1c2n h VAL 76 Cb 0.42 -0.18 -0.00 0.00 -2.13 0.00 0.00 31.29 29.39 1c2n h VAL 76 CO -0.15 0.21 -0.11 0.11 -1.23 0.00 0.00 177.57 176.40 1c2n h LYS 77 N 1.15 0.00 -0.51 5.19 1.57 -1.32 -0.85 116.57 121.80 1c2n h LYS 77 Ca 0.44 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.98 1c2n h LYS 77 Cb 0.20 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.34 1c2n h LYS 77 CO -0.18 0.11 -0.55 -3.47 -0.57 0.00 0.00 179.45 174.79 1c2n n ASP 78 N -3.61 -2.80 -4.68 0.86 -0.08 0.09 -4.28 116.55 102.05 1c2n n ASP 78 Ca -0.02 -3.12 -0.39 0.00 -1.51 0.00 0.00 54.79 49.75 1c2n n ASP 78 Cb 0.24 1.57 0.04 0.00 2.34 0.00 0.00 41.12 45.31 1c2n n ASP 78 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1c2n n PRO 79 N 2.06 1.40 0.00 -0.67 -0.04 -0.47 -1.42 135.00 135.87 1c2n n PRO 79 Ca 0.13 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 1c2n n PRO 79 Cb 0.60 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 1c2n n PRO 79 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1c2n n GLY 80 N 0.99 1.90 0.28 0.55 0.00 -1.26 -4.46 105.19 103.19 1c2n n GLY 80 Ca 0.11 -0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 1.10 -0.34 4.61 0.00 -1.82 0.18 119.26 122.99 1c2n h ALA 81 Ca 0.00 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1c2n h ALA 81 Cb 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 1c2n h ALA 81 CO 0.00 -0.15 -0.16 0.35 0.00 0.00 0.00 179.25 179.30 1c2n h PHE 82 N 0.52 -0.38 0.54 0.00 3.57 -1.46 0.83 116.94 120.56 1c2n h PHE 82 Ca 0.41 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.92 1c2n h PHE 82 Cb 0.58 0.22 0.01 0.00 2.79 0.00 0.00 35.95 39.54 1c2n h PHE 82 CO -0.13 -0.23 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.39 1c2n h LEU 83 N -0.10 -0.62 -0.79 0.59 3.38 -1.02 -3.17 115.31 113.59 1c2n h LEU 83 Ca 0.17 -0.04 0.19 0.00 0.09 0.00 0.00 57.88 58.29 1c2n h LEU 83 Cb 0.36 0.16 -0.13 0.00 0.09 0.00 0.00 40.66 41.14 1c2n h LEU 83 CO -0.40 -0.32 0.10 0.11 0.09 0.00 0.00 178.44 178.02 1c2n h LYS 84 N -0.90 0.16 -0.97 1.13 1.57 -0.60 0.23 116.57 117.18 1c2n h LYS 84 Ca -0.07 -0.01 0.17 0.00 -1.87 0.00 0.00 60.65 58.87 1c2n h LYS 84 Cb 0.62 -0.04 -0.10 0.00 0.08 0.00 0.00 32.23 32.79 1c2n h LYS 84 CO 0.12 0.10 0.58 1.49 -0.57 0.00 0.00 179.45 181.18 1c2n h GLU 85 N 0.16 0.75 0.05 3.15 4.81 -0.82 0.31 114.58 123.00 1c2n h GLU 85 Ca 0.46 -0.05 -0.30 0.00 -0.13 0.00 0.00 59.36 59.34 1c2n h GLU 85 Cb 0.84 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 1c2n h GLU 85 CO -0.64 0.50 -1.67 1.63 -0.73 0.00 0.00 179.01 178.10 1c2n n LYS 86 N -4.77 0.65 0.14 1.92 4.76 0.40 -4.47 118.16 116.79 1c2n n LYS 86 Ca 0.21 0.42 0.12 0.00 -2.87 0.00 0.00 58.31 56.20 1c2n n LYS 86 Cb 0.51 -1.71 0.19 0.00 -1.84 0.00 0.00 35.03 32.18 1c2n n LYS 86 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1c2n h LEU 87 N -0.54 0.00 -3.31 -0.35 7.12 -0.59 -3.49 115.31 114.16 1c2n h LEU 87 Ca -0.41 -0.04 -0.42 0.00 0.13 0.00 0.00 57.88 57.15 1c2n h LEU 87 Cb 1.64 0.00 0.05 0.00 -0.53 0.00 0.00 40.66 41.82 1c2n h LEU 87 CO -0.10 0.02 -0.88 -0.67 -0.13 0.00 0.00 178.44 176.69 1c2n n ASP 88 N -2.64 -5.38 -3.89 1.25 2.03 0.11 -5.01 116.55 103.01 1c2n n ASP 88 Ca 0.03 -0.95 -0.11 0.00 0.52 0.00 0.00 54.79 54.29 1c2n n ASP 88 Cb 0.50 -3.09 -0.10 0.00 -0.72 0.00 0.00 41.12 37.70 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 -3.35 0.07 0.04 1.67 2.15 -1.26 -5.06 116.67 110.94 1c2n s ASP 89 Ca 0.36 -0.28 -0.22 0.00 0.43 0.00 0.00 52.55 52.83 1c2n s ASP 89 Cb -0.14 0.18 -0.15 0.00 -0.30 0.00 0.00 42.92 42.52 1c2n s ASP 89 CO 0.87 -0.36 1.44 0.50 -0.17 0.00 0.00 175.17 177.44 1c2n h LYS 90 N 4.32 0.18 -0.17 4.34 3.64 -1.95 -3.26 116.57 123.67 1c2n h LYS 90 Ca -0.31 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1c2n h LYS 90 Cb 1.20 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1c2n h LYS 90 CO 0.41 0.47 0.00 1.17 -2.27 0.00 0.00 179.45 179.23 1c2n n LYS 91 N -4.79 1.03 -1.62 1.90 4.81 -1.26 -4.54 118.16 113.68 1c2n n LYS 91 Ca -0.06 -0.04 -0.40 0.00 -0.87 0.00 0.00 58.31 56.93 1c2n n LYS 91 Cb 0.22 -1.09 -0.01 0.00 0.02 0.00 0.00 35.03 34.17 1c2n n LYS 91 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1c2n n ALA 92 N -0.39 6.73 -2.09 3.14 0.00 -1.23 -4.64 120.51 122.02 1c2n n ALA 92 Ca 0.00 -3.78 -0.19 0.00 0.00 0.00 0.00 53.44 49.48 1c2n n ALA 92 Cb 0.05 -3.29 -0.00 0.00 0.00 0.00 0.00 19.45 16.20 1c2n n ALA 92 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1c2n s LYS 93 N 1.78 2.70 0.10 0.00 1.02 -1.26 -3.77 119.74 120.30 1c2n s LYS 93 Ca 0.59 -1.37 0.04 0.00 0.02 0.00 0.00 55.97 55.25 1c2n s LYS 93 Cb 0.16 -2.61 -0.03 0.00 -0.52 0.00 0.00 37.83 34.82 1c2n s LYS 93 CO -0.07 -0.27 -0.12 -0.08 -0.92 0.00 0.00 175.35 173.89 1c2n s THR 94 N -2.41 1.07 -0.71 2.17 -1.32 -1.26 -4.36 115.64 108.82 1c2n s THR 94 Ca 0.53 -1.59 0.18 0.00 -1.21 0.00 0.00 61.69 59.60 1c2n s THR 94 Cb -0.07 -1.33 0.18 0.00 -1.51 0.00 0.00 72.50 69.76 1c2n s THR 94 CO 0.31 -0.46 1.56 0.61 -2.21 0.00 0.00 174.62 174.43 1c2n n GLY 95 N 0.70 -1.08 3.57 6.08 0.00 -1.26 -4.57 105.19 108.63 1c2n n GLY 95 Ca -0.17 0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 1c2n n GLY 95 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1c2n n MET 96 N -1.89 1.32 -1.24 1.61 0.00 -1.26 -4.81 117.12 110.86 1c2n n MET 96 Ca 0.02 -2.32 -0.30 0.00 -0.00 0.00 0.00 57.70 55.10 1c2n n MET 96 Cb 0.18 -3.75 -0.07 0.00 0.00 0.00 0.00 33.22 29.57 1c2n n MET 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1c2n n ALA 97 N 15.27 7.15 -3.51 -5.12 0.00 -1.26 -4.67 120.51 128.37 1c2n n ALA 97 Ca 0.44 -3.00 -0.06 0.00 0.00 0.00 0.00 53.44 50.83 1c2n n ALA 97 Cb 0.46 -2.99 -0.07 0.00 0.00 0.00 0.00 19.45 16.85 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 1.60 -1.01 0.55 0.00 5.36 -1.26 -5.17 117.98 118.04 1c2n s PHE 98 Ca 0.68 1.51 0.09 0.00 -0.96 0.00 0.00 56.93 58.25 1c2n s PHE 98 Cb 0.23 0.35 0.09 0.00 -0.34 0.00 0.00 43.02 43.35 1c2n s PHE 98 CO -0.05 -0.63 0.72 1.63 -1.46 0.00 0.00 175.22 175.44 1c2n n LYS 99 N 5.40 0.63 -4.12 10.12 5.02 -1.26 -4.71 118.16 129.24 1c2n n LYS 99 Ca -0.07 -2.98 -0.11 0.00 -2.02 0.00 0.00 58.31 53.14 1c2n n LYS 99 Cb 0.50 -0.17 -0.10 0.00 -0.02 0.00 0.00 35.03 35.23 1c2n n LYS 99 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1c2n s LEU 100 N 0.00 2.43 -0.60 -0.35 2.96 -0.32 -4.93 118.68 117.86 1c2n s LEU 100 Ca 0.55 -0.86 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 1c2n s LEU 100 Cb -0.04 -0.05 0.38 0.00 0.50 0.00 0.00 46.19 46.97 1c2n s LEU 100 CO 0.35 -0.41 1.31 0.00 -1.32 0.00 0.00 176.35 176.28 1c2n n ALA 101 N 0.45 5.34 -0.32 5.97 0.00 -1.26 -4.41 120.51 126.28 1c2n n ALA 101 Ca -0.16 -4.41 0.04 0.00 0.00 0.00 0.00 53.44 48.91 1c2n n ALA 101 Cb 0.59 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.40 -0.73 0.00 0.00 5.02 -1.26 -5.00 118.16 115.79 1c2n n LYS 102 Ca 0.41 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 57.27 1c2n n LYS 102 Cb 0.48 -0.86 0.00 0.00 -0.02 0.00 0.00 35.03 34.63 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 -2.68 1.85 0.40 0.72 0.00 -1.26 -4.96 105.19 99.26 1c2n n GLY 103 Ca -0.02 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.20 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 1.01 0.98 -0.02 0.00 -1.95 0.24 103.07 103.34 1c2n h GLY 104 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1c2n h GLY 104 CO 0.00 -0.04 0.16 1.05 0.00 0.00 0.00 176.54 177.71 1c2n h GLU 105 N 0.42 0.34 -0.41 4.80 9.09 -1.89 0.17 114.58 127.10 1c2n h GLU 105 Ca 0.51 -0.03 -0.04 0.00 0.05 0.00 0.00 59.36 59.86 1c2n h GLU 105 Cb 1.27 -0.07 -0.02 0.00 -1.65 0.00 0.00 28.75 28.28 1c2n h GLU 105 CO -0.22 0.26 0.11 -0.44 0.05 0.00 0.00 179.01 178.77 1c2n h ASP 106 N 0.33 0.61 -0.28 3.06 3.32 -0.89 -0.24 116.42 122.33 1c2n h ASP 106 Ca 0.09 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1c2n h ASP 106 Cb 0.00 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1c2n h ASP 106 CO -0.02 0.67 0.18 0.58 -1.72 0.00 0.00 179.24 178.94 1c2n h VAL 107 N 0.53 1.09 -0.33 -1.35 2.07 -1.05 0.11 116.25 117.31 1c2n h VAL 107 Ca 0.13 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1c2n h VAL 107 Cb 0.29 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1c2n h VAL 107 CO -0.00 0.08 0.08 0.00 0.02 0.00 0.00 177.57 177.76 1c2n h ALA 108 N 1.08 0.36 -0.51 1.67 0.00 -0.43 0.51 119.26 121.94 1c2n h ALA 108 Ca 0.10 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1c2n h ALA 108 Cb -0.02 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1c2n h ALA 108 CO -0.02 -0.32 0.22 0.00 0.00 0.00 0.00 179.25 179.13 1c2n h ALA 109 N 1.23 0.64 -0.04 0.00 0.00 -0.60 0.37 119.26 120.86 1c2n h ALA 109 Ca 0.15 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1c2n h ALA 109 Cb 0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1c2n h ALA 109 CO -0.18 -0.15 -0.10 -0.92 0.00 0.00 0.00 179.25 177.90 1c2n h TYR 110 N 0.43 -0.24 -0.71 0.00 3.20 -0.02 0.18 116.97 119.81 1c2n h TYR 110 Ca 0.24 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.18 1c2n h TYR 110 Cb 0.20 0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.53 1c2n h TYR 110 CO -0.13 -0.15 0.40 -0.07 -1.64 0.00 0.00 178.16 176.57 1c2n h LEU 111 N -0.14 0.59 -0.80 2.82 3.38 -0.08 0.83 115.31 121.91 1c2n h LEU 111 Ca 0.05 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1c2n h LEU 111 Cb 0.21 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1c2n h LEU 111 CO -0.13 0.37 0.08 0.00 0.09 0.00 0.00 178.44 178.84 1c2n h ALA 112 N 1.38 1.00 0.00 1.53 0.00 -0.50 -3.29 119.26 119.38 1c2n h ALA 112 Ca 0.32 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1c2n h ALA 112 Cb 0.23 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1c2n h ALA 112 CO -0.20 0.63 -0.00 0.77 0.00 0.00 0.00 179.25 180.45 1c2n h SER 113 N 0.92 -0.00 0.00 0.00 0.02 0.64 -3.41 113.55 111.72 1c2n h SER 113 Ca 0.18 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1c2n h SER 113 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1c2n h SER 113 CO 0.01 0.49 0.00 0.55 -1.14 0.00 0.00 176.83 176.74 1c2n n VAL 114 N -4.86 0.00 -0.98 2.27 3.14 0.16 -4.85 118.33 113.21 1c2n n VAL 114 Ca -0.08 0.93 0.00 0.00 -2.96 0.00 0.00 64.34 62.22 1c2n n VAL 114 Cb 0.25 -1.92 0.00 0.00 -1.06 0.00 0.00 33.84 31.11 1c2n n VAL 114 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1c2n n VAL 115 N -0.44 0.00 -1.04 1.55 3.14 -1.25 -5.11 118.33 115.18 1c2n n VAL 115 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1c2n n VAL 115 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1c2n n VAL 115 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54