#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 5.76 0.44 1.61 -1.08 -1.26 -4.78 116.67 117.36 1c2n s ASP 2 Ca 0.00 -0.91 0.24 0.00 -0.52 0.00 0.00 52.55 51.36 1c2n s ASP 2 Cb 0.00 -2.56 1.24 0.00 -1.46 0.00 0.00 42.92 40.14 1c2n s ASP 2 CO 0.00 -2.16 1.77 0.00 0.52 0.00 0.00 175.17 175.30 1c2n h ALA 3 N 10.86 2.48 -0.04 3.66 0.00 -1.90 0.15 119.26 134.48 1c2n h ALA 3 Ca 0.09 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1c2n h ALA 3 Cb 1.02 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1c2n h ALA 3 CO 1.30 -0.88 -0.00 0.00 0.00 0.00 0.00 179.25 179.67 1c2n h ALA 4 N 1.57 0.05 -0.54 0.00 0.00 -1.89 0.12 119.26 118.57 1c2n h ALA 4 Ca 0.59 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 1c2n h ALA 4 Cb 1.74 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 1c2n h ALA 4 CO -0.23 -0.28 0.32 0.87 0.00 0.00 0.00 179.25 179.94 1c2n h LYS 5 N -0.23 0.73 -0.01 0.00 1.57 -1.50 -0.85 116.57 116.28 1c2n h LYS 5 Ca 0.01 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1c2n h LYS 5 Cb 0.33 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1c2n h LYS 5 CO 0.00 0.52 -0.18 0.78 -0.57 0.00 0.00 179.45 180.00 1c2n h GLY 6 N 0.79 -0.24 0.46 3.86 0.00 -0.36 0.73 103.07 108.32 1c2n h GLY 6 Ca 0.20 0.21 0.03 0.00 0.00 0.00 0.00 47.33 47.77 1c2n h GLY 6 CO -0.04 -0.17 -0.24 -2.09 0.00 0.00 0.00 176.54 174.00 1c2n h GLU 7 N -0.29 -0.37 -0.06 4.80 4.22 -0.06 0.14 114.58 122.95 1c2n h GLU 7 Ca 0.06 0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.56 1c2n h GLU 7 Cb 0.36 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 1c2n h GLU 7 CO -0.17 -0.25 -0.34 0.87 -2.18 0.00 0.00 179.01 176.94 1c2n h LYS 8 N -0.39 -0.43 -0.98 1.92 1.57 -0.78 -1.02 116.57 116.46 1c2n h LYS 8 Ca 0.06 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.98 1c2n h LYS 8 Cb 0.46 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.79 1c2n h LYS 8 CO -0.21 -0.29 0.61 1.49 -0.57 0.00 0.00 179.45 180.49 1c2n h GLU 9 N -0.45 0.96 -0.24 3.15 4.57 -0.60 -0.11 114.58 121.86 1c2n h GLU 9 Ca 0.08 -0.06 0.07 0.00 -1.18 0.00 0.00 59.36 58.27 1c2n h GLU 9 Cb 0.57 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1c2n h GLU 9 CO -0.32 0.64 0.26 0.35 -1.18 0.00 0.00 179.01 178.76 1c2n h PHE 10 N 0.99 0.00 -0.22 0.92 3.04 0.66 0.51 116.94 122.84 1c2n h PHE 10 Ca 0.48 0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.46 1c2n h PHE 10 Cb 0.44 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.94 1c2n h PHE 10 CO -0.01 0.00 0.15 -0.91 -2.02 0.00 0.00 178.31 175.52 1c2n h ASN 11 N 0.00 0.14 0.01 0.41 2.35 -0.78 0.18 115.58 117.89 1c2n h ASN 11 Ca 0.11 -0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.53 1c2n h ASN 11 Cb 0.64 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.93 1c2n h ASN 11 CO -0.00 0.10 -1.80 0.29 -1.65 0.00 0.00 177.43 174.37 1c2n n LYS 12 N -4.50 0.59 -0.23 0.81 5.02 0.07 -4.38 118.16 115.54 1c2n n LYS 12 Ca 0.01 0.44 0.20 0.00 -2.02 0.00 0.00 58.31 56.94 1c2n n LYS 12 Cb 0.17 -1.65 0.54 0.00 -0.02 0.00 0.00 35.03 34.08 1c2n n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c2n h LYS 14 N 0.35 0.11 -0.29 0.00 3.64 -0.85 -3.30 116.57 116.22 1c2n h LYS 14 Ca 0.46 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.90 1c2n h LYS 14 Cb 1.23 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.97 1c2n h LYS 14 CO -0.15 0.07 -0.04 2.41 -2.27 0.00 0.00 179.45 179.47 1c2n n THR 15 N -5.20 -0.12 -0.06 1.00 -1.04 -0.40 -0.17 114.28 108.29 1c2n n THR 15 Ca 0.35 0.66 -0.01 0.00 -2.04 0.00 0.00 64.05 63.00 1c2n n THR 15 Cb 1.16 -0.93 -0.15 0.00 -1.82 0.00 0.00 70.33 68.60 1c2n n THR 15 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1c2n n HIS 17 N -2.49 -2.76 -3.56 0.00 8.25 0.75 0.21 115.22 115.62 1c2n n HIS 17 Ca -0.20 -0.44 -0.11 0.00 -0.26 0.00 0.00 57.72 56.71 1c2n n HIS 17 Cb 0.87 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.84 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 -1.74 -0.39 -0.05 0.41 0.01 -1.26 -0.80 113.70 109.87 1c2n s SER 18 Ca 0.12 -0.20 -0.01 0.00 1.31 0.00 0.00 55.95 57.17 1c2n s SER 18 Cb -0.01 0.56 0.03 0.00 0.21 0.00 0.00 66.02 66.81 1c2n s SER 18 CO 0.08 -0.95 0.03 -0.63 0.41 0.00 0.00 173.24 172.17 1c2n s ILE 19 N -3.79 0.12 -0.16 1.44 1.01 -0.26 -1.83 121.20 117.73 1c2n s ILE 19 Ca 0.03 0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.87 1c2n s ILE 19 Cb -0.00 -0.30 -0.03 0.00 0.01 0.00 0.00 42.46 42.13 1c2n s ILE 19 CO -0.10 0.20 0.01 -0.51 0.00 0.00 0.00 174.94 174.53 1c2n s ILE 20 N 1.79 4.37 0.72 2.92 1.10 -1.26 -1.66 121.20 129.19 1c2n s ILE 20 Ca 0.01 -0.19 -0.11 0.00 -0.51 0.00 0.00 60.65 59.85 1c2n s ILE 20 Cb -0.12 -2.93 0.02 0.00 0.15 0.00 0.00 42.46 39.58 1c2n s ILE 20 CO -0.03 0.50 1.07 0.00 -2.11 0.00 0.00 174.94 174.36 1c2n s ALA 21 N 0.16 2.54 0.34 1.50 0.00 0.18 -4.85 121.76 121.63 1c2n s ALA 21 Ca 0.02 0.12 0.10 0.00 0.00 0.00 0.00 51.96 52.20 1c2n s ALA 21 Cb -0.13 -3.20 0.86 0.00 0.00 0.00 0.00 23.12 20.65 1c2n s ALA 21 CO 0.02 -1.40 1.80 -1.35 0.00 0.00 0.00 175.76 174.83 1c2n h PRO 22 N -0.85 0.63 0.00 0.00 0.11 -1.89 0.87 132.00 130.87 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 1.22 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1c2n h PRO 22 CO 0.55 0.42 0.00 -0.40 -0.21 0.00 0.00 178.00 178.36 1c2n n ASP 23 N -4.68 0.00 0.00 -2.05 5.68 -1.26 -4.88 116.55 109.36 1c2n n ASP 23 Ca 0.22 0.48 0.00 0.00 -0.50 0.00 0.00 54.79 55.00 1c2n n ASP 23 Cb 0.63 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 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 -0.03 0.20 3.69 6.12 0.00 0.30 -5.06 105.19 110.42 1c2n n GLY 24 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 3.56 -0.81 2.61 2.01 -1.26 -4.74 115.64 115.01 1c2n s THR 25 Ca 0.00 1.01 -0.26 0.00 0.31 0.00 0.00 61.69 62.75 1c2n s THR 25 Cb 0.00 -3.65 0.02 0.00 0.01 0.00 0.00 72.50 68.89 1c2n s THR 25 CO 0.00 0.02 1.44 -1.61 -0.69 0.00 0.00 174.62 173.78 1c2n s GLU 26 N 2.12 3.19 -0.03 4.92 2.02 -1.26 -0.65 118.70 129.01 1c2n s GLU 26 Ca 0.65 -0.38 -0.24 0.00 0.02 0.00 0.00 54.97 55.02 1c2n s GLU 26 Cb -0.33 -4.59 -0.21 0.00 0.10 0.00 0.00 34.13 29.10 1c2n s GLU 26 CO 0.28 -2.32 1.14 0.82 0.02 0.00 0.00 175.26 175.20 1c2n h ILE 27 N 6.43 1.48 -3.30 -1.63 5.03 -1.69 -3.43 117.51 120.40 1c2n h ILE 27 Ca -0.12 -1.60 -0.66 0.00 -0.12 0.00 0.00 64.86 62.35 1c2n h ILE 27 Cb 1.05 2.45 -0.29 0.00 -3.03 0.00 0.00 36.82 37.00 1c2n h ILE 27 CO 1.31 0.44 -0.79 -0.69 -0.68 0.00 0.00 178.15 177.73 1c2n s VAL 28 N -3.64 2.77 -0.60 1.67 1.01 -0.66 -4.95 120.40 116.00 1c2n s VAL 28 Ca -0.16 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.13 1c2n s VAL 28 Cb 0.02 -2.17 0.16 0.00 0.00 0.00 0.00 36.38 34.39 1c2n s VAL 28 CO 0.72 0.51 0.42 -0.54 0.00 0.00 0.00 175.10 176.21 1c2n s LYS 29 N 0.71 1.99 0.00 2.72 1.02 -1.26 -1.10 119.74 123.83 1c2n s LYS 29 Ca -0.07 -2.90 0.00 0.00 0.02 0.00 0.00 55.97 53.02 1c2n s LYS 29 Cb -0.15 -2.91 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 1c2n s LYS 29 CO 0.02 -1.28 0.00 0.41 -0.92 0.00 0.00 175.35 173.58 1c2n n GLY 30 N 2.41 -0.83 1.80 -3.33 0.00 0.02 -4.93 105.19 100.32 1c2n n GLY 30 Ca 0.19 -1.70 -0.09 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.00 5.03 -2.44 4.61 0.00 0.27 -4.83 120.51 120.14 1c2n n ALA 31 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.37 1c2n n ALA 31 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 17.95 1c2n n ALA 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1c2n n LYS 32 N 1.42 -0.72 -0.06 0.00 5.02 -1.23 -4.77 118.16 117.83 1c2n n LYS 32 Ca 0.21 -0.33 -0.11 0.00 -2.02 0.00 0.00 58.31 56.06 1c2n n LYS 32 Cb 0.62 0.59 -0.15 0.00 -0.02 0.00 0.00 35.03 36.07 1c2n n LYS 32 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1c2n n THR 33 N -0.63 1.54 -4.19 -0.18 -1.04 0.13 -4.93 114.28 104.99 1c2n n THR 33 Ca 0.00 -0.78 -0.23 0.00 -2.04 0.00 0.00 64.05 61.00 1c2n n THR 33 Cb 0.00 -0.95 -0.06 0.00 -1.82 0.00 0.00 70.33 67.49 1c2n n THR 33 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1c2n s GLY 34 N -5.43 1.74 0.36 3.41 0.00 0.18 -5.01 107.32 102.57 1c2n s GLY 34 Ca -0.11 -1.70 -0.28 0.00 0.00 0.00 0.00 44.72 42.63 1c2n s GLY 34 CO 0.80 -1.70 1.42 2.56 0.00 0.00 0.00 173.10 176.18 1c2n s PRO 35 N -3.77 4.20 -0.09 2.90 0.04 -1.26 -4.59 135.00 132.43 1c2n s PRO 35 Ca 0.34 2.44 -0.34 0.00 0.04 0.00 0.00 61.00 63.48 1c2n s PRO 35 Cb -0.05 -3.00 -0.12 0.00 0.04 0.00 0.00 34.50 31.37 1c2n s PRO 35 CO 0.22 -0.40 1.89 -1.71 0.04 0.00 0.00 177.00 177.04 1c2n n ASN 36 N 0.58 3.47 0.00 6.66 2.85 -1.26 -4.61 115.26 122.95 1c2n n ASN 36 Ca 0.01 0.96 0.15 0.00 -0.11 0.00 0.00 54.58 55.59 1c2n n ASN 36 Cb 0.40 -1.38 0.87 0.00 1.24 0.00 0.00 39.78 40.91 1c2n n ASN 36 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1c2n n LEU 37 N 6.77 0.00 -4.57 1.20 4.77 -0.76 -4.73 117.00 119.68 1c2n n LEU 37 Ca 0.23 0.11 -0.20 0.00 -0.03 0.00 0.00 56.01 56.11 1c2n n LEU 37 Cb 0.30 -0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.20 1c2n n LEU 37 CO 0.73 -0.00 1.28 -0.47 -1.33 0.00 0.00 177.39 177.60 1c2n s TYR 38 N -2.22 1.52 0.00 -1.77 5.04 -1.26 -1.21 117.35 117.45 1c2n s TYR 38 Ca 0.40 1.42 0.00 0.00 -2.44 0.00 0.00 57.07 56.45 1c2n s TYR 38 Cb 0.21 -3.67 0.00 0.00 0.35 0.00 0.00 41.96 38.85 1c2n s TYR 38 CO 0.40 -1.20 0.00 0.41 -1.34 0.00 0.00 175.55 173.82 1c2n n GLY 39 N 6.32 1.74 0.16 8.97 0.00 -1.26 -4.94 105.19 116.17 1c2n n GLY 39 Ca 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.36 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 1.17 -2.36 1.61 3.04 -1.45 -3.35 116.25 114.92 1c2n h VAL 40 Ca 0.00 -0.51 -0.54 0.00 -1.01 0.00 0.00 66.70 64.64 1c2n h VAL 40 Cb 0.00 0.94 0.01 0.00 -2.01 0.00 0.00 31.29 30.23 1c2n h VAL 40 CO 0.00 0.18 1.25 0.54 -1.01 0.00 0.00 177.57 178.53 1c2n s VAL 41 N -5.61 3.10 0.00 1.51 0.11 -1.26 -0.37 120.40 117.88 1c2n s VAL 41 Ca -0.13 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 1c2n s VAL 41 Cb 0.09 -3.08 0.00 0.00 -1.53 0.00 0.00 36.38 31.85 1c2n s VAL 41 CO 0.73 -0.02 0.00 0.61 -3.33 0.00 0.00 175.10 173.09 1c2n n GLY 42 N 4.67 2.29 3.79 6.54 0.00 0.83 -4.99 105.19 118.32 1c2n n GLY 42 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.01 3.89 0.23 1.61 6.06 0.50 -4.53 118.95 126.70 1c2n s ARG 43 Ca 0.00 1.50 -0.30 0.00 -2.50 0.00 0.00 55.73 54.44 1c2n s ARG 43 Cb 0.00 -2.30 -0.09 0.00 0.06 0.00 0.00 34.95 32.62 1c2n s ARG 43 CO 0.00 -0.38 1.23 0.99 -2.50 0.00 0.00 175.30 174.64 1c2n s THR 44 N -1.77 3.29 0.38 4.11 2.01 -1.26 -0.87 115.64 121.52 1c2n s THR 44 Ca 0.64 1.16 -0.27 0.00 0.31 0.00 0.00 61.69 63.53 1c2n s THR 44 Cb -0.21 -3.74 -0.11 0.00 0.01 0.00 0.00 72.50 68.45 1c2n s THR 44 CO 0.26 0.22 1.24 0.00 -0.69 0.00 0.00 174.62 175.64 1c2n n ALA 45 N 1.96 1.10 -1.62 7.40 0.00 0.23 -2.29 120.51 127.28 1c2n n ALA 45 Ca 0.03 0.31 -0.09 0.00 0.00 0.00 0.00 53.44 53.69 1c2n n ALA 45 Cb 0.44 -2.23 -0.02 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 0.85 0.64 0.00 0.00 0.00 -1.26 -4.13 105.19 101.29 1c2n n GLY 46 Ca 0.06 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.25 0.00 -1.83 2.61 -2.24 -0.97 -4.80 114.28 103.80 1c2n n THR 47 Ca -0.10 -0.07 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 1c2n n THR 47 Cb 0.41 1.82 -0.03 0.00 -2.10 0.00 0.00 70.33 70.43 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 -0.01 2.90 0.74 4.78 6.14 -1.26 -4.89 117.35 125.74 1c2n s TYR 48 Ca 0.00 0.44 -0.17 0.00 0.64 0.00 0.00 57.07 57.98 1c2n s TYR 48 Cb 0.00 -4.04 -0.10 0.00 0.42 0.00 0.00 41.96 38.24 1c2n s TYR 48 CO 0.00 -3.94 -0.05 -2.30 0.64 0.00 0.00 175.55 169.90 1c2n n PRO 49 N 4.19 0.09 -3.51 4.97 -0.02 -1.26 -4.21 135.00 135.25 1c2n n PRO 49 Ca 0.15 0.05 -0.19 0.00 -2.02 0.00 0.00 63.50 61.49 1c2n n PRO 49 Cb 0.37 -1.34 0.02 0.00 -0.02 0.00 0.00 33.50 32.53 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 0.81 -1.37 -3.59 -0.52 -0.58 -1.26 -4.80 120.64 109.34 1c2n n GLU 50 Ca 0.06 0.90 -0.02 0.00 -0.42 0.00 0.00 57.16 57.68 1c2n n GLU 50 Cb 0.51 -4.09 -0.05 0.00 -0.57 0.00 0.00 31.44 27.24 1c2n n GLU 50 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1c2n s PHE 51 N -3.16 -1.05 -1.14 -0.32 5.36 -1.26 -4.88 117.98 111.53 1c2n s PHE 51 Ca 0.17 1.89 -0.22 0.00 -0.96 0.00 0.00 56.93 57.82 1c2n s PHE 51 Cb -0.06 0.63 -0.01 0.00 -0.34 0.00 0.00 43.02 43.25 1c2n s PHE 51 CO 0.83 -0.52 1.78 0.21 -1.46 0.00 0.00 175.22 176.07 1c2n s LYS 52 N 2.40 3.18 1.25 10.12 2.47 -1.26 -4.98 119.74 132.93 1c2n s LYS 52 Ca -0.06 -1.27 -0.20 0.00 -1.56 0.00 0.00 55.97 52.88 1c2n s LYS 52 Cb -0.08 -5.33 0.31 0.00 -1.46 0.00 0.00 37.83 31.26 1c2n s LYS 52 CO -0.18 -3.00 1.08 0.71 0.16 0.00 0.00 175.35 174.11 1c2n s TYR 53 N 7.59 0.22 0.44 4.03 2.02 -1.26 -5.09 117.35 125.30 1c2n s TYR 53 Ca 0.60 0.50 0.07 0.00 -0.37 0.00 0.00 57.07 57.87 1c2n s TYR 53 Cb -0.00 -3.35 -0.03 0.00 -0.40 0.00 0.00 41.96 38.18 1c2n s TYR 53 CO 0.05 -4.13 0.28 0.15 -1.57 0.00 0.00 175.55 170.33 1c2n s LYS 54 N -5.35 2.33 0.17 -0.62 1.02 -1.26 -5.02 119.74 111.01 1c2n s LYS 54 Ca 0.71 -1.78 -0.22 0.00 0.02 0.00 0.00 55.97 54.70 1c2n s LYS 54 Cb -0.10 -2.13 0.08 0.00 -0.52 0.00 0.00 37.83 35.16 1c2n s LYS 54 CO 0.56 -0.22 1.60 0.38 -0.92 0.00 0.00 175.35 176.75 1c2n h ASP 55 N 1.19 -1.02 0.26 2.83 3.04 -1.98 -1.91 116.42 118.83 1c2n h ASP 55 Ca -0.41 0.19 -0.01 0.00 -3.24 0.00 0.00 57.03 53.55 1c2n h ASP 55 Cb 1.27 0.49 0.00 0.00 -1.04 0.00 0.00 39.33 40.05 1c2n h ASP 55 CO 0.64 -0.30 -0.13 0.28 -2.04 0.00 0.00 179.24 177.69 1c2n h SER 56 N -0.22 -0.30 -0.29 4.15 0.02 -1.93 0.23 113.55 115.22 1c2n h SER 56 Ca 0.19 -0.07 -0.15 0.00 -0.84 0.00 0.00 61.79 60.91 1c2n h SER 56 Cb 0.53 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1c2n h SER 56 CO -0.55 -0.12 -0.40 -0.29 -1.14 0.00 0.00 176.83 174.33 1c2n h ILE 57 N -0.46 1.28 -0.37 3.27 2.10 -1.79 -1.05 117.51 120.49 1c2n h ILE 57 Ca -0.04 -1.58 -0.16 0.00 1.08 0.00 0.00 64.86 64.17 1c2n h ILE 57 Cb 0.35 1.44 -0.01 0.00 -1.09 0.00 0.00 36.82 37.51 1c2n h ILE 57 CO 0.06 0.52 -0.38 0.58 -1.08 0.00 0.00 178.15 177.85 1c2n h VAL 58 N 0.68 1.27 -0.42 2.19 2.07 -1.30 -0.23 116.25 120.52 1c2n h VAL 58 Ca 0.05 -1.56 0.02 0.00 0.82 0.00 0.00 66.70 66.04 1c2n h VAL 58 Cb 0.97 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1c2n h VAL 58 CO 0.09 0.52 0.24 0.00 0.02 0.00 0.00 177.57 178.44 1c2n h ALA 59 N 0.82 0.53 -0.05 1.67 0.00 -0.32 0.23 119.26 122.14 1c2n h ALA 59 Ca 0.06 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1c2n h ALA 59 Cb 0.97 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1c2n h ALA 59 CO 0.09 -0.09 0.00 1.25 0.00 0.00 0.00 179.25 180.51 1c2n h LEU 60 N 0.49 -0.01 -0.87 0.00 5.85 -0.97 -2.62 115.31 117.18 1c2n h LEU 60 Ca 0.17 0.01 0.23 0.00 0.84 0.00 0.00 57.88 59.12 1c2n h LEU 60 Cb 0.01 0.01 -0.15 0.00 0.37 0.00 0.00 40.66 40.91 1c2n h LEU 60 CO -0.08 0.00 0.13 1.23 -0.34 0.00 0.00 178.44 179.38 1c2n h GLY 61 N 0.03 1.20 0.61 3.75 0.00 -0.05 -1.04 103.07 107.56 1c2n h GLY 61 Ca 0.02 0.05 0.18 0.00 0.00 0.00 0.00 47.33 47.58 1c2n h GLY 61 CO -0.03 -0.39 0.52 0.00 0.00 0.00 0.00 176.54 176.64 1c2n h ALA 62 N 1.81 2.47 0.00 3.60 0.00 -0.18 0.33 119.26 127.29 1c2n h ALA 62 Ca 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1c2n h ALA 62 Cb 1.05 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1c2n h ALA 62 CO -0.72 -0.84 0.00 -1.13 0.00 0.00 0.00 179.25 176.56 1c2n n SER 63 N -4.02 0.00 -0.26 0.00 3.41 -0.39 -4.79 113.62 107.57 1c2n n SER 63 Ca 0.12 -0.87 0.00 0.00 -0.26 0.00 0.00 58.87 57.86 1c2n n SER 63 Cb 0.76 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 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 0.31 0.77 3.57 5.00 0.00 0.11 -4.97 105.19 109.98 1c2n n GLY 64 Ca 0.12 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.53 2.41 -0.13 1.61 5.36 -0.60 -4.94 117.98 119.17 1c2n s PHE 65 Ca 0.00 -0.65 -0.29 0.00 -0.96 0.00 0.00 56.93 55.03 1c2n s PHE 65 Cb 0.00 -4.53 -0.03 0.00 -0.34 0.00 0.00 43.02 38.12 1c2n s PHE 65 CO 0.00 -1.80 1.37 0.00 -1.46 0.00 0.00 175.22 173.33 1c2n s ALA 66 N 6.27 3.64 0.04 11.12 0.00 -1.26 -0.60 121.76 140.98 1c2n s ALA 66 Ca 0.54 0.60 -0.30 0.00 0.00 0.00 0.00 51.96 52.80 1c2n s ALA 66 Cb -0.00 -3.65 -0.08 0.00 0.00 0.00 0.00 23.12 19.38 1c2n s ALA 66 CO -0.02 -1.21 1.79 -1.58 0.00 0.00 0.00 175.76 174.73 1c2n s TRP 67 N 3.57 1.92 0.22 0.00 0.52 -0.05 -4.83 118.94 120.29 1c2n s TRP 67 Ca 0.60 -0.02 0.05 0.00 0.02 0.00 0.00 56.10 56.75 1c2n s TRP 67 Cb -0.25 -4.08 -0.03 0.00 -1.15 0.00 0.00 33.47 27.95 1c2n s TRP 67 CO 0.19 -4.59 0.34 0.95 0.02 0.00 0.00 176.95 173.86 1c2n s THR 68 N 3.51 5.23 0.34 2.01 -4.23 -1.26 -0.12 115.64 121.12 1c2n s THR 68 Ca 0.80 -0.96 0.07 0.00 -1.18 0.00 0.00 61.69 60.41 1c2n s THR 68 Cb -0.41 -3.82 0.31 0.00 1.34 0.00 0.00 72.50 69.93 1c2n s THR 68 CO 0.35 -0.29 1.87 1.05 -0.54 0.00 0.00 174.62 177.07 1c2n h GLU 69 N 1.36 0.76 0.10 3.99 -0.00 -1.95 0.60 114.58 119.44 1c2n h GLU 69 Ca -0.51 -0.05 -0.00 0.00 -0.00 0.00 0.00 59.36 58.80 1c2n h GLU 69 Cb 1.22 -0.17 0.00 0.00 -0.00 0.00 0.00 28.75 29.80 1c2n h GLU 69 CO 0.62 0.50 -0.05 0.93 -0.00 0.00 0.00 179.01 181.02 1c2n h GLU 70 N 0.78 -0.13 -0.27 1.06 5.08 -1.96 0.80 114.58 119.94 1c2n h GLU 70 Ca 0.44 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.82 1c2n h GLU 70 Cb 0.60 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1c2n h GLU 70 CO -0.21 0.04 0.17 -0.44 -1.00 0.00 0.00 179.01 177.57 1c2n h ASP 71 N -0.27 0.28 -0.08 1.42 3.32 -1.62 -0.23 116.42 119.24 1c2n h ASP 71 Ca -0.01 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.07 1c2n h ASP 71 Cb 0.22 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 1c2n h ASP 71 CO 0.02 0.21 -0.16 0.40 -1.72 0.00 0.00 179.24 177.99 1c2n h ILE 72 N 0.34 0.59 -0.59 0.35 2.04 -0.74 0.20 117.51 119.70 1c2n h ILE 72 Ca 0.10 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.07 1c2n h ILE 72 Cb -0.02 0.59 -0.08 0.00 -0.74 0.00 0.00 36.82 36.56 1c2n h ILE 72 CO -0.03 0.00 0.12 0.00 0.00 0.00 0.00 178.15 178.24 1c2n h ALA 73 N 0.78 0.69 0.33 1.87 0.00 -0.54 -0.77 119.26 121.63 1c2n h ALA 73 Ca 0.08 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1c2n h ALA 73 Cb 0.33 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1c2n h ALA 73 CO -0.21 -0.31 -0.16 1.15 0.00 0.00 0.00 179.25 179.72 1c2n h THR 74 N 0.26 0.68 -0.62 0.00 2.02 -0.54 -3.27 112.91 111.43 1c2n h THR 74 Ca 0.31 -0.44 0.12 0.00 0.77 0.00 0.00 66.41 67.17 1c2n h THR 74 Cb 0.45 0.90 -0.12 0.00 -1.74 0.00 0.00 68.15 67.64 1c2n h THR 74 CO -0.40 0.09 -0.25 0.22 0.37 0.00 0.00 175.52 175.55 1c2n h TYR 75 N -0.70 -0.64 -0.75 3.16 3.20 -0.09 0.64 116.97 121.79 1c2n h TYR 75 Ca -0.05 0.07 0.22 0.00 3.14 0.00 0.00 58.73 62.11 1c2n h TYR 75 Cb 0.48 0.38 -0.03 0.00 1.54 0.00 0.00 36.73 39.10 1c2n h TYR 75 CO 0.01 -0.34 0.60 0.28 -1.64 0.00 0.00 178.16 177.07 1c2n h VAL 76 N -0.09 0.49 0.00 1.81 2.07 -1.21 0.15 116.25 119.47 1c2n h VAL 76 Ca 0.28 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.67 1c2n h VAL 76 Cb 0.53 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1c2n h VAL 76 CO -0.68 0.00 -0.61 0.11 0.02 0.00 0.00 177.57 176.41 1c2n h LYS 77 N 0.00 0.00 -0.55 1.57 1.57 -0.90 0.31 116.57 118.57 1c2n h LYS 77 Ca 0.36 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.82 1c2n h LYS 77 Cb 1.55 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.65 1c2n h LYS 77 CO -0.00 0.61 -0.66 -3.47 -0.57 0.00 0.00 179.45 175.35 1c2n n ASP 78 N -3.34 -2.02 -4.75 0.86 -0.08 0.38 -4.45 116.55 103.16 1c2n n ASP 78 Ca 0.01 -3.17 -0.39 0.00 -1.51 0.00 0.00 54.79 49.73 1c2n n ASP 78 Cb 0.74 1.17 0.04 0.00 2.34 0.00 0.00 41.12 45.41 1c2n n ASP 78 CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 1c2n s PRO 79 N 0.13 3.17 0.00 -0.67 0.02 -0.35 -1.06 135.00 136.24 1c2n s PRO 79 Ca 0.32 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.63 1c2n s PRO 79 Cb 0.22 -2.30 0.00 0.00 0.02 0.00 0.00 34.50 32.45 1c2n s PRO 79 CO -0.20 -1.18 0.00 0.41 -0.33 0.00 0.00 177.00 175.70 1c2n n GLY 80 N 0.72 1.83 0.29 0.52 0.00 -1.26 -4.46 105.19 102.83 1c2n n GLY 80 Ca 0.10 -0.19 0.03 0.00 0.00 0.00 0.00 46.02 45.97 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 1.13 -0.51 4.61 0.00 -1.78 0.19 119.26 122.89 1c2n h ALA 81 Ca 0.00 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.06 1c2n h ALA 81 Cb 0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 17.61 1c2n h ALA 81 CO 0.00 -0.00 -0.24 0.35 0.00 0.00 0.00 179.25 179.36 1c2n h PHE 82 N 0.68 -0.62 0.65 0.00 3.57 -1.32 0.18 116.94 120.08 1c2n h PHE 82 Ca 0.39 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.92 1c2n h PHE 82 Cb 0.43 0.35 0.01 0.00 2.79 0.00 0.00 35.95 39.53 1c2n h PHE 82 CO -0.09 -0.32 -0.31 -0.07 -2.23 0.00 0.00 178.31 175.29 1c2n h LEU 83 N -0.12 -0.74 -1.13 0.59 3.38 -1.00 -1.25 115.31 115.04 1c2n h LEU 83 Ca 0.23 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.38 1c2n h LEU 83 Cb 0.49 0.19 -0.09 0.00 0.09 0.00 0.00 40.66 41.34 1c2n h LEU 83 CO -0.59 -0.48 0.61 0.50 0.09 0.00 0.00 178.44 178.57 1c2n h LYS 84 N -0.95 0.73 0.37 1.13 3.11 -0.52 0.16 116.57 120.60 1c2n h LYS 84 Ca -0.09 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.69 1c2n h LYS 84 Cb 0.69 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.76 1c2n h LYS 84 CO 0.15 0.48 -0.18 1.49 -2.81 0.00 0.00 179.45 178.58 1c2n h GLU 85 N 0.75 -0.48 -0.92 1.90 4.57 -0.52 0.11 114.58 119.99 1c2n h GLU 85 Ca 0.53 0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.79 1c2n h GLU 85 Cb 0.83 0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 29.47 1c2n h GLU 85 CO -0.30 -0.29 0.59 0.87 -1.18 0.00 0.00 179.01 178.70 1c2n h LYS 86 N -1.11 1.08 -0.01 1.92 1.57 -0.91 -0.61 116.57 118.50 1c2n h LYS 86 Ca -0.05 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1c2n h LYS 86 Cb 0.41 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1c2n h LYS 86 CO 0.08 0.71 -0.14 -0.11 -0.57 0.00 0.00 179.45 179.43 1c2n n LEU 87 N -4.54 0.66 -4.09 2.94 7.94 0.54 -4.94 117.00 115.51 1c2n n LEU 87 Ca 0.13 -0.09 -0.32 0.00 -1.11 0.00 0.00 56.01 54.62 1c2n n LEU 87 Cb 0.13 -0.15 -0.02 0.00 0.53 0.00 0.00 43.42 43.91 1c2n n LEU 87 CO 0.33 0.12 -0.09 -0.67 -1.11 0.00 0.00 177.39 175.97 1c2n n ASP 88 N -0.81 -2.41 -3.98 1.96 2.03 -0.24 -4.95 116.55 108.14 1c2n n ASP 88 Ca 0.14 -0.98 -0.31 0.00 0.52 0.00 0.00 54.79 54.16 1c2n n ASP 88 Cb 0.29 -3.00 -0.15 0.00 -0.72 0.00 0.00 41.12 37.54 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 -3.68 4.20 0.58 1.67 2.15 0.23 -5.00 116.67 116.83 1c2n s ASP 89 Ca 0.47 -1.43 0.28 0.00 0.43 0.00 0.00 52.55 52.29 1c2n s ASP 89 Cb -0.25 -1.36 1.62 0.00 -0.30 0.00 0.00 42.92 42.64 1c2n s ASP 89 CO 0.90 -0.25 2.11 0.11 -0.17 0.00 0.00 175.17 177.87 1c2n h LYS 90 N 7.85 0.00 -0.50 4.34 6.56 -1.93 -0.27 116.57 132.62 1c2n h LYS 90 Ca -0.16 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.43 1c2n h LYS 90 Cb 1.05 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.71 1c2n h LYS 90 CO 0.45 0.00 0.00 1.63 -2.06 0.00 0.00 179.45 179.47 1c2n n LYS 91 N -3.91 3.49 -2.72 3.15 5.02 -1.26 -4.94 118.16 117.00 1c2n n LYS 91 Ca 0.01 -2.75 -0.43 0.00 -2.02 0.00 0.00 58.31 53.13 1c2n n LYS 91 Cb 0.31 -1.80 -0.03 0.00 -0.02 0.00 0.00 35.03 33.49 1c2n n LYS 91 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c2n s ALA 92 N -2.00 3.37 -0.04 7.82 0.00 -0.11 -4.96 121.76 125.84 1c2n s ALA 92 Ca 0.44 -0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.05 1c2n s ALA 92 Cb 0.30 -3.66 0.01 0.00 0.00 0.00 0.00 23.12 19.78 1c2n s ALA 92 CO 0.19 -1.74 -0.08 0.15 0.00 0.00 0.00 175.76 174.28 1c2n s LYS 93 N 3.74 1.07 0.45 0.00 1.02 -1.26 -4.08 119.74 120.69 1c2n s LYS 93 Ca 0.42 -0.24 -0.10 0.00 0.02 0.00 0.00 55.97 56.07 1c2n s LYS 93 Cb -0.11 -0.98 -0.06 0.00 -0.52 0.00 0.00 37.83 36.16 1c2n s LYS 93 CO 0.21 0.00 0.82 -0.08 -0.92 0.00 0.00 175.35 175.39 1c2n s THR 94 N 0.63 4.77 0.02 2.17 -1.32 -1.26 -4.51 115.64 116.13 1c2n s THR 94 Ca -0.10 0.64 0.32 0.00 -1.21 0.00 0.00 61.69 61.34 1c2n s THR 94 Cb -0.13 -3.77 0.36 0.00 -1.51 0.00 0.00 72.50 67.45 1c2n s THR 94 CO 0.01 -0.66 1.96 1.23 -2.21 0.00 0.00 174.62 174.94 1c2n h GLY 95 N 0.87 0.00 -7.30 6.08 0.00 -2.00 -3.41 103.07 97.31 1c2n h GLY 95 Ca -0.47 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.67 1c2n h GLY 95 CO 0.63 0.00 0.62 -0.29 0.00 0.00 0.00 176.54 177.50 1c2n s MET 96 N -3.63 1.92 -1.25 4.80 -2.45 -1.26 -4.82 119.30 112.60 1c2n s MET 96 Ca 0.01 -0.80 -0.09 0.00 -1.25 0.00 0.00 55.69 53.56 1c2n s MET 96 Cb 0.09 -5.12 -0.13 0.00 1.25 0.00 0.00 34.83 30.93 1c2n s MET 96 CO 0.49 -4.63 3.08 0.00 1.05 0.00 0.00 175.02 175.02 1c2n n ALA 97 N 16.72 7.24 -3.63 4.11 0.00 -1.26 -4.70 120.51 138.98 1c2n n ALA 97 Ca 0.43 -3.11 -0.13 0.00 0.00 0.00 0.00 53.44 50.63 1c2n n ALA 97 Cb 0.47 -3.14 -0.07 0.00 0.00 0.00 0.00 19.45 16.71 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 1.95 -0.77 0.04 0.00 5.36 -1.26 -5.18 117.98 118.11 1c2n s PHE 98 Ca 0.68 1.86 -0.04 0.00 -0.96 0.00 0.00 56.93 58.48 1c2n s PHE 98 Cb 0.21 0.30 -0.02 0.00 -0.34 0.00 0.00 43.02 43.17 1c2n s PHE 98 CO -0.05 -0.37 0.05 0.15 -1.46 0.00 0.00 175.22 173.54 1c2n s LYS 99 N 0.45 0.56 -0.23 10.12 1.02 -1.26 -4.64 119.74 125.76 1c2n s LYS 99 Ca -0.00 -0.82 -0.03 0.00 0.02 0.00 0.00 55.97 55.13 1c2n s LYS 99 Cb -0.05 0.21 0.12 0.00 -0.52 0.00 0.00 37.83 37.59 1c2n s LYS 99 CO -0.01 -0.13 0.35 -1.17 -0.92 0.00 0.00 175.35 173.47 1c2n s LEU 100 N -2.19 -0.54 0.00 3.17 2.96 0.10 -5.02 118.68 117.16 1c2n s LEU 100 Ca -0.04 0.24 0.00 0.00 -0.22 0.00 0.00 54.13 54.11 1c2n s LEU 100 Cb -0.01 1.01 0.00 0.00 0.50 0.00 0.00 46.19 47.69 1c2n s LEU 100 CO -0.05 -0.30 1.04 0.00 -1.32 0.00 0.00 176.35 175.72 1c2n n ALA 101 N 5.36 2.58 -3.83 5.97 0.00 -1.26 -3.51 120.51 125.82 1c2n n ALA 101 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.32 1c2n n ALA 101 Cb 0.50 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 18.96 1c2n n ALA 101 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1c2n s LYS 102 N 0.06 1.94 0.00 0.00 1.02 -1.26 -5.01 119.74 116.49 1c2n s LYS 102 Ca 0.00 -1.21 0.00 0.00 0.02 0.00 0.00 55.97 54.78 1c2n s LYS 102 Cb 0.00 0.57 0.00 0.00 -0.52 0.00 0.00 37.83 37.88 1c2n s LYS 102 CO 0.00 -0.90 0.00 0.41 -0.92 0.00 0.00 175.35 173.94 1c2n n GLY 103 N -0.54 1.19 0.15 -3.33 0.00 -1.26 -4.77 105.19 96.63 1c2n n GLY 103 Ca -0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.88 0.12 -0.02 0.00 -1.26 -0.29 105.19 102.86 1c2n n GLY 104 Ca 0.00 0.44 -0.13 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.22 -0.24 1.61 9.09 -1.86 0.19 114.58 123.15 1c2n h GLU 105 Ca 0.10 0.01 0.02 0.00 0.05 0.00 0.00 59.36 59.55 1c2n h GLU 105 Cb 0.20 0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 27.33 1c2n h GLU 105 CO -0.37 -0.15 0.09 -0.44 0.05 0.00 0.00 179.01 178.19 1c2n h ASP 106 N -0.23 0.11 -0.53 3.06 3.32 -0.93 -0.01 116.42 121.20 1c2n h ASP 106 Ca -0.02 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1c2n h ASP 106 Cb 0.18 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1c2n h ASP 106 CO 0.04 0.09 0.29 0.58 -1.72 0.00 0.00 179.24 178.52 1c2n h VAL 107 N 0.20 1.18 -0.39 -1.35 2.07 -0.69 0.11 116.25 117.38 1c2n h VAL 107 Ca 0.10 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1c2n h VAL 107 Cb 0.06 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1c2n h VAL 107 CO -0.10 0.19 0.22 0.00 0.02 0.00 0.00 177.57 177.90 1c2n h ALA 108 N 1.12 0.50 -0.65 1.67 0.00 -0.21 0.94 119.26 122.63 1c2n h ALA 108 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1c2n h ALA 108 Cb 0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1c2n h ALA 108 CO -0.03 0.03 0.42 0.00 0.00 0.00 0.00 179.25 179.67 1c2n h ALA 109 N 1.07 0.83 0.15 0.00 0.00 -0.66 0.28 119.26 120.93 1c2n h ALA 109 Ca 0.14 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1c2n h ALA 109 Cb 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1c2n h ALA 109 CO -0.02 0.27 -0.16 -0.92 0.00 0.00 0.00 179.25 178.42 1c2n h TYR 110 N 0.89 -0.42 -0.03 0.00 3.20 -0.32 0.80 116.97 121.09 1c2n h TYR 110 Ca 0.24 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.15 1c2n h TYR 110 Cb -0.08 0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.31 1c2n h TYR 110 CO -0.02 -0.24 -0.23 -0.07 -1.64 0.00 0.00 178.16 175.95 1c2n h LEU 111 N -0.34 -0.70 -0.66 2.82 3.38 -0.49 0.15 115.31 119.47 1c2n h LEU 111 Ca 0.01 0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.20 1c2n h LEU 111 Cb 0.33 0.29 -0.09 0.00 0.09 0.00 0.00 40.66 41.29 1c2n h LEU 111 CO -0.05 -0.30 0.22 0.00 0.09 0.00 0.00 178.44 178.40 1c2n h ALA 112 N 0.52 0.86 -0.38 1.53 0.00 -0.70 0.96 119.26 122.06 1c2n h ALA 112 Ca 0.07 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1c2n h ALA 112 Cb 0.45 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1c2n h ALA 112 CO -0.23 -0.24 0.09 0.77 0.00 0.00 0.00 179.25 179.64 1c2n h SER 113 N 0.37 0.57 -0.54 0.00 0.02 -0.03 -3.15 113.55 110.79 1c2n h SER 113 Ca 0.35 -0.23 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 1c2n h SER 113 Cb 0.50 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1c2n h SER 113 CO -0.38 0.66 -0.00 0.58 -1.14 0.00 0.00 176.83 176.55 1c2n h VAL 114 N 0.46 1.26 -1.10 2.27 2.07 0.34 -3.41 116.25 118.14 1c2n h VAL 114 Ca 0.12 -1.12 -0.30 0.00 0.82 0.00 0.00 66.70 66.21 1c2n h VAL 114 Cb 0.31 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1c2n h VAL 114 CO 0.00 0.41 0.87 -0.69 0.02 0.00 0.00 177.57 178.18 1c2n s VAL 115 N -5.00 3.24 -2.81 2.57 1.01 0.23 -5.07 120.40 114.57 1c2n s VAL 115 Ca -0.11 -0.08 0.25 0.00 0.00 0.00 0.00 61.98 62.05 1c2n s VAL 115 Cb 0.14 -3.59 0.32 0.00 0.00 0.00 0.00 36.38 33.26 1c2n s VAL 115 CO 0.85 -0.56 1.44 0.29 0.00 0.00 0.00 175.10 177.12