#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bse h GLN 3 N 0.00 0.00 -5.82 5.55 1.08 -1.95 -3.41 115.11 110.56 2bse h GLN 3 Ca 0.00 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.70 2bse h GLN 3 Cb 0.00 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 27.21 2bse h GLN 3 CO 0.00 0.49 -0.81 -0.51 -0.95 0.00 0.00 178.83 177.06 2bse s LEU 4 N -8.22 2.29 -0.19 1.46 1.43 -1.26 -2.55 118.68 111.64 2bse s LEU 4 Ca -0.16 -0.66 -0.00 0.00 -1.03 0.00 0.00 54.13 52.28 2bse s LEU 4 Cb 0.01 -0.73 0.05 0.00 0.03 0.00 0.00 46.19 45.55 2bse s LEU 4 CO 0.37 -0.00 -0.04 -1.10 0.23 0.00 0.00 176.35 175.81 2bse s GLN 5 N -1.86 1.40 -0.04 1.70 -0.21 -0.87 -4.90 119.66 114.88 2bse s GLN 5 Ca 0.03 -0.66 -0.08 0.00 0.02 0.00 0.00 55.36 54.67 2bse s GLN 5 Cb -0.10 -2.22 -0.05 0.00 1.00 0.00 0.00 33.01 31.64 2bse s GLN 5 CO 0.03 -0.52 0.24 -1.21 -2.12 0.00 0.00 175.29 171.72 2bse s GLU 6 N 1.58 3.57 0.22 2.91 2.02 -1.26 -2.50 118.70 125.25 2bse s GLU 6 Ca -0.02 -0.04 -0.00 0.00 0.02 0.00 0.00 54.97 54.93 2bse s GLU 6 Cb -0.17 -3.14 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 2bse s GLU 6 CO -0.07 0.70 0.17 -1.54 0.02 0.00 0.00 175.26 174.54 2bse s SER 7 N -1.40 0.37 0.00 -0.19 1.04 -0.74 -5.01 113.70 107.77 2bse s SER 7 Ca 0.23 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 55.23 2bse s SER 7 Cb -0.13 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.41 2bse s SER 7 CO 0.12 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.05 2bse n GLY 8 N -0.33 -1.52 2.95 7.32 0.00 -1.26 -2.72 105.19 109.63 2bse n GLY 8 Ca 0.03 -1.38 0.01 0.00 0.00 0.00 0.00 46.02 44.68 2bse n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bse n GLY 9 N 0.00 -2.14 0.00 -0.02 0.00 -1.18 -4.96 105.19 96.89 2bse n GLY 9 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.56 2bse n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bse n GLY 10 N -0.76 0.10 3.87 -0.02 0.00 -0.80 -5.03 105.19 102.55 2bse n GLY 10 Ca 0.00 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 43.92 2bse n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bse s LEU 11 N 0.00 4.40 0.00 0.99 1.43 -1.26 -2.39 118.68 121.85 2bse s LEU 11 Ca 0.00 0.54 -0.15 0.00 -1.03 0.00 0.00 54.13 53.49 2bse s LEU 11 Cb 0.00 -2.15 0.02 0.00 0.03 0.00 0.00 46.19 44.09 2bse s LEU 11 CO 0.00 0.39 0.32 0.54 0.23 0.00 0.00 176.35 177.84 2bse s VAL 12 N -1.02 0.06 0.71 -1.59 0.11 -0.98 -5.01 120.40 112.69 2bse s VAL 12 Ca 0.16 -0.52 -0.10 0.00 -2.93 0.00 0.00 61.98 58.59 2bse s VAL 12 Cb -0.13 -0.74 0.04 0.00 -1.53 0.00 0.00 36.38 34.02 2bse s VAL 12 CO 0.05 -0.29 1.07 -1.10 -3.33 0.00 0.00 175.10 171.50 2bse s GLN 13 N -1.74 2.53 0.27 1.54 -0.21 -1.26 -0.62 119.66 120.17 2bse s GLN 13 Ca -0.11 0.16 -0.29 0.00 0.02 0.00 0.00 55.36 55.14 2bse s GLN 13 Cb -0.04 -2.08 -0.09 0.00 1.00 0.00 0.00 33.01 31.80 2bse s GLN 13 CO 0.02 -1.15 1.23 0.00 -2.12 0.00 0.00 175.29 173.27 2bse s ALA 14 N -3.32 3.47 -0.11 6.09 0.00 0.30 -2.56 121.76 125.63 2bse s ALA 14 Ca 0.59 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.62 2bse s ALA 14 Cb -0.11 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2bse s ALA 14 CO 0.49 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.22 2bse n GLY 15 N 1.40 0.33 0.00 0.00 0.00 -0.98 -4.94 105.19 101.00 2bse n GLY 15 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2bse n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bse n GLY 16 N -1.03 0.62 3.12 -0.02 0.00 -1.06 -4.21 105.19 102.60 2bse n GLY 16 Ca -0.01 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.22 2bse n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bse s SER 17 N -1.00 -0.01 -0.13 1.61 0.01 -1.26 -2.56 113.70 110.36 2bse s SER 17 Ca 0.00 -0.14 -0.14 0.00 1.31 0.00 0.00 55.95 56.98 2bse s SER 17 Cb 0.00 0.23 0.04 0.00 0.21 0.00 0.00 66.02 66.50 2bse s SER 17 CO 0.00 -0.36 0.39 -0.22 0.41 0.00 0.00 173.24 173.46 2bse s LEU 18 N -1.29 0.53 0.02 2.44 2.96 -0.88 -4.97 118.68 117.49 2bse s LEU 18 Ca -0.14 0.70 0.05 0.00 -0.22 0.00 0.00 54.13 54.52 2bse s LEU 18 Cb -0.07 1.35 -0.03 0.00 0.50 0.00 0.00 46.19 47.94 2bse s LEU 18 CO 0.02 -0.18 -0.10 -0.60 -1.32 0.00 0.00 176.35 174.16 2bse s ARG 19 N -0.00 2.39 -0.02 1.98 3.52 -1.26 -1.09 118.95 124.47 2bse s ARG 19 Ca -0.02 -0.81 0.03 0.00 -0.13 0.00 0.00 55.73 54.81 2bse s ARG 19 Cb -0.03 -2.40 -0.00 0.00 -1.56 0.00 0.00 34.95 30.96 2bse s ARG 19 CO 0.01 0.58 -0.12 -0.51 -0.81 0.00 0.00 175.30 174.45 2bse s LEU 20 N -1.43 1.92 0.08 -0.88 1.43 -0.13 -3.10 118.68 116.57 2bse s LEU 20 Ca 0.16 -0.24 0.08 0.00 -1.03 0.00 0.00 54.13 53.11 2bse s LEU 20 Cb -0.11 -0.67 -0.03 0.00 0.03 0.00 0.00 46.19 45.41 2bse s LEU 20 CO 0.07 0.12 -0.21 -0.44 0.23 0.00 0.00 176.35 176.12 2bse s SER 21 N -0.06 2.57 -0.28 2.29 0.01 -1.10 -0.43 113.70 116.71 2bse s SER 21 Ca 0.00 -0.62 -0.01 0.00 1.31 0.00 0.00 55.95 56.63 2bse s SER 21 Cb -0.07 -0.17 0.17 0.00 0.21 0.00 0.00 66.02 66.15 2bse s SER 21 CO 0.00 0.11 0.50 0.00 0.41 0.00 0.00 173.24 174.27 2bse s THR 23 N 2.72 5.18 -0.05 0.00 -4.23 -1.04 -2.13 115.64 116.10 2bse s THR 23 Ca 0.17 -0.70 0.05 0.00 -1.18 0.00 0.00 61.69 60.04 2bse s THR 23 Cb -0.15 -3.64 -0.02 0.00 1.34 0.00 0.00 72.50 70.03 2bse s THR 23 CO -0.19 -0.05 -0.20 0.00 -0.54 0.00 0.00 174.62 173.64 2bse s ALA 24 N -1.69 2.40 0.23 3.99 0.00 -0.63 -2.04 121.76 124.02 2bse s ALA 24 Ca 0.34 -1.03 0.12 0.00 0.00 0.00 0.00 51.96 51.39 2bse s ALA 24 Cb -0.11 -0.79 0.41 0.00 0.00 0.00 0.00 23.12 22.63 2bse s ALA 24 CO 0.27 0.50 1.63 0.66 0.00 0.00 0.00 175.76 178.82 2bse h SER 25 N 5.63 0.00 -4.69 0.00 4.64 -1.72 -3.46 113.55 113.94 2bse h SER 25 Ca -0.41 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.80 2bse h SER 25 Cb 1.15 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.03 2bse h SER 25 CO 0.49 0.57 -0.19 -0.60 -0.87 0.00 0.00 176.83 176.24 2bse s ARG 26 N -3.56 0.68 -0.10 4.77 3.52 -1.26 -5.15 118.95 117.85 2bse s ARG 26 Ca -0.01 0.09 -0.16 0.00 -0.13 0.00 0.00 55.73 55.52 2bse s ARG 26 Cb 0.12 0.31 -0.05 0.00 -1.56 0.00 0.00 34.95 33.78 2bse s ARG 26 CO 0.75 -0.17 0.42 1.03 -0.81 0.00 0.00 175.30 176.51 2bse s ARG 27 N -0.89 4.23 0.05 5.12 0.52 -1.26 -4.99 118.95 121.74 2bse s ARG 27 Ca -0.10 0.36 0.24 0.00 -0.52 0.00 0.00 55.73 55.71 2bse s ARG 27 Cb -0.04 -3.39 0.22 0.00 0.52 0.00 0.00 34.95 32.27 2bse s ARG 27 CO 0.04 0.29 1.19 0.25 0.02 0.00 0.00 175.30 177.09 2bse n THR 28 N 3.26 0.17 -3.68 0.02 -2.24 -1.26 -5.05 114.28 105.49 2bse n THR 28 Ca -0.10 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2bse n THR 28 Cb 0.52 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 2bse n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bse n GLY 29 N 1.40 -0.50 3.89 3.38 0.00 -1.26 -4.99 105.19 107.12 2bse n GLY 29 Ca 0.03 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 2bse n GLY 29 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bse s SER 30 N -4.00 4.08 -1.54 1.61 1.04 -1.26 -4.09 113.70 109.54 2bse s SER 30 Ca 0.00 0.69 -0.08 0.00 0.48 0.00 0.00 55.95 57.04 2bse s SER 30 Cb 0.00 -1.09 0.07 0.00 0.10 0.00 0.00 66.02 65.10 2bse s SER 30 CO 0.00 -2.17 0.57 0.59 0.98 0.00 0.00 173.24 173.21 2bse n ASN 31 N -3.47 -1.65 -4.67 7.02 4.13 -1.26 -2.98 115.26 112.37 2bse n ASN 31 Ca 0.09 -1.01 -0.42 0.00 1.68 0.00 0.00 54.58 54.92 2bse n ASN 31 Cb 0.60 -2.90 -0.03 0.00 -1.54 0.00 0.00 39.78 35.92 2bse n ASN 31 CO 0.00 0.00 0.00 0.86 0.28 0.00 0.00 177.26 178.40 2bse s TRP 32 N -3.68 2.14 -0.03 3.10 -0.11 -1.26 -2.19 118.94 116.90 2bse s TRP 32 Ca 0.33 0.20 0.04 0.00 1.22 0.00 0.00 56.10 57.88 2bse s TRP 32 Cb -0.18 -3.97 -0.00 0.00 -1.50 0.00 0.00 33.47 27.82 2bse s TRP 32 CO 0.91 -4.02 -0.13 0.00 -4.62 0.00 0.00 176.95 169.08 2bse s MET 34 N 0.09 1.05 0.00 0.00 -1.94 -0.86 -1.19 119.30 116.45 2bse s MET 34 Ca -0.03 -0.61 0.00 0.00 -1.71 0.00 0.00 55.69 53.34 2bse s MET 34 Cb -0.10 -1.04 0.00 0.00 2.01 0.00 0.00 34.83 35.70 2bse s MET 34 CO 0.01 0.27 0.00 0.41 -0.01 0.00 0.00 175.02 175.71 2bse n GLY 35 N 2.37 1.54 2.98 -0.03 0.00 -0.65 -1.02 105.19 110.38 2bse n GLY 35 Ca -0.16 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 2bse n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bse s TRP 36 N -2.90 0.45 0.01 1.61 0.51 0.66 -1.77 118.94 117.50 2bse s TRP 36 Ca 0.00 -0.25 0.02 0.00 -2.12 0.00 0.00 56.10 53.75 2bse s TRP 36 Cb 0.00 -0.28 -0.04 0.00 -0.81 0.00 0.00 33.47 32.34 2bse s TRP 36 CO 0.00 -0.05 -0.00 -0.06 -0.51 0.00 0.00 176.95 176.33 2bse s PHE 37 N -0.63 3.05 -0.32 -1.98 0.40 -0.26 -1.52 117.98 116.72 2bse s PHE 37 Ca -0.04 0.05 0.00 0.00 -0.60 0.00 0.00 56.93 56.35 2bse s PHE 37 Cb -0.05 -1.64 0.07 0.00 0.51 0.00 0.00 43.02 41.91 2bse s PHE 37 CO -0.00 0.46 0.02 0.50 0.70 0.00 0.00 175.22 176.89 2bse s ARG 38 N -1.67 2.16 -0.37 0.44 3.52 0.19 -2.55 118.95 120.67 2bse s ARG 38 Ca 0.20 -1.48 -0.08 0.00 -0.13 0.00 0.00 55.73 54.25 2bse s ARG 38 Cb -0.12 -3.19 0.05 0.00 -1.56 0.00 0.00 34.95 30.14 2bse s ARG 38 CO 0.11 -0.74 0.16 -1.14 -0.81 0.00 0.00 175.30 172.89 2bse s GLN 39 N 1.14 2.63 0.54 5.12 0.74 -1.26 -1.25 119.66 127.32 2bse s GLN 39 Ca -0.01 -1.26 -0.16 0.00 0.05 0.00 0.00 55.36 53.98 2bse s GLN 39 Cb -0.20 -3.59 -0.07 0.00 1.10 0.00 0.00 33.01 30.25 2bse s GLN 39 CO -0.04 -0.76 1.01 -0.51 -0.55 0.00 0.00 175.29 174.44 2bse s LEU 40 N 1.42 3.59 -0.82 3.68 1.43 -1.26 -3.70 118.68 123.02 2bse s LEU 40 Ca 0.00 1.65 -0.22 0.00 -1.03 0.00 0.00 54.13 54.53 2bse s LEU 40 Cb -0.20 -4.52 -0.18 0.00 0.03 0.00 0.00 46.19 41.31 2bse s LEU 40 CO 0.03 -0.76 2.36 0.00 0.23 0.00 0.00 176.35 178.22 2bse n ALA 41 N -1.70 0.56 0.00 4.21 0.00 -1.26 -0.44 120.51 121.88 2bse n ALA 41 Ca 0.07 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.33 2bse n ALA 41 Cb 0.54 -3.04 0.00 0.00 0.00 0.00 0.00 19.45 16.95 2bse n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bse n GLY 42 N 6.42 2.92 3.85 0.00 0.00 -1.26 -5.08 105.19 112.04 2bse n GLY 42 Ca 0.52 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.25 2bse n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bse s LYS 43 N -0.45 1.22 -0.13 1.61 -0.14 0.41 -5.02 119.74 117.25 2bse s LYS 43 Ca 0.00 0.05 -0.29 0.00 -1.36 0.00 0.00 55.97 54.37 2bse s LYS 43 Cb 0.00 -1.87 -0.01 0.00 -1.68 0.00 0.00 37.83 34.27 2bse s LYS 43 CO 0.00 -2.09 0.97 -1.21 -0.76 0.00 0.00 175.35 172.26 2bse s GLU 44 N -5.54 4.38 0.43 1.68 0.41 -1.26 -4.47 118.70 114.33 2bse s GLU 44 Ca 0.66 1.31 -0.25 0.00 -0.41 0.00 0.00 54.97 56.28 2bse s GLU 44 Cb -0.11 -3.56 -0.10 0.00 -1.78 0.00 0.00 34.13 28.59 2bse s GLU 44 CO 0.52 -0.34 1.16 -2.30 -0.49 0.00 0.00 175.26 173.80 2bse n PRO 45 N 5.16 1.66 -3.89 0.39 -0.02 -1.26 -4.73 135.00 132.30 2bse n PRO 45 Ca 0.08 0.59 -0.11 0.00 -2.02 0.00 0.00 63.50 62.04 2bse n PRO 45 Cb 0.48 -2.24 -0.12 0.00 -0.02 0.00 0.00 33.50 31.60 2bse n PRO 45 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2bse s GLU 46 N -2.16 0.18 -0.20 -0.52 -1.05 -0.38 -4.92 118.70 109.65 2bse s GLU 46 Ca 0.63 -0.18 -0.29 0.00 -0.15 0.00 0.00 54.97 54.98 2bse s GLU 46 Cb -0.53 0.07 -0.03 0.00 -0.44 0.00 0.00 34.13 33.21 2bse s GLU 46 CO 0.57 -0.03 1.59 -1.17 0.95 0.00 0.00 175.26 177.17 2bse s LEU 47 N -0.56 3.96 -0.22 1.83 1.98 -1.26 0.55 118.68 124.96 2bse s LEU 47 Ca -0.06 1.69 0.12 0.00 -2.89 0.00 0.00 54.13 52.99 2bse s LEU 47 Cb -0.04 -3.53 -0.22 0.00 0.66 0.00 0.00 46.19 43.06 2bse s LEU 47 CO -0.00 -1.19 -0.04 0.55 -1.89 0.00 0.00 176.35 173.79 2bse n VAL 48 N 6.23 1.42 -3.66 1.68 3.14 -0.58 -4.69 118.33 121.87 2bse n VAL 48 Ca 0.18 -0.75 -0.14 0.00 -2.96 0.00 0.00 64.34 60.67 2bse n VAL 48 Cb 0.45 -0.80 -0.08 0.00 -1.06 0.00 0.00 33.84 32.35 2bse n VAL 48 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2bse s VAL 49 N -2.50 0.01 0.07 1.55 0.11 -1.16 -1.37 120.40 117.11 2bse s VAL 49 Ca -0.19 -0.04 -0.26 0.00 -2.93 0.00 0.00 61.98 58.56 2bse s VAL 49 Cb 0.07 -0.82 0.07 0.00 -1.53 0.00 0.00 36.38 34.17 2bse s VAL 49 CO 0.74 -0.02 0.64 0.00 -3.33 0.00 0.00 175.10 173.13 2bse s ALA 50 N -0.08 -1.67 -0.02 1.54 0.00 -0.80 -0.25 121.76 120.49 2bse s ALA 50 Ca -0.03 0.83 0.01 0.00 0.00 0.00 0.00 51.96 52.77 2bse s ALA 50 Cb -0.04 0.52 0.01 0.00 0.00 0.00 0.00 23.12 23.62 2bse s ALA 50 CO 0.03 -0.61 -0.02 -1.17 0.00 0.00 0.00 175.76 173.99 2bse s LEU 51 N -2.12 1.61 -0.21 0.00 0.20 -0.19 -0.54 118.68 117.43 2bse s LEU 51 Ca -0.04 -0.05 -0.18 0.00 0.69 0.00 0.00 54.13 54.55 2bse s LEU 51 Cb -0.01 -0.21 -0.03 0.00 -0.43 0.00 0.00 46.19 45.52 2bse s LEU 51 CO -0.04 -0.02 0.51 0.21 -0.29 0.00 0.00 176.35 176.72 2bse s ASN 52 N 0.44 6.53 0.15 3.68 2.47 -0.05 -2.02 114.94 126.14 2bse s ASN 52 Ca -0.04 0.64 -0.05 0.00 0.42 0.00 0.00 52.86 53.83 2bse s ASN 52 Cb -0.07 -2.29 -0.03 0.00 -1.45 0.00 0.00 41.25 37.41 2bse s ASN 52 CO -0.01 -0.19 1.37 -0.26 -3.72 0.00 0.00 177.10 174.29 2bse h PHE 53 N 7.55 0.68 0.00 0.43 -1.00 -1.13 -0.55 116.94 122.91 2bse h PHE 53 Ca -0.33 -0.32 -0.11 0.00 2.81 0.00 0.00 57.97 60.02 2bse h PHE 53 Cb 1.15 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 40.60 2bse h PHE 53 CO 0.71 1.11 -0.52 -0.44 -1.61 0.00 0.00 178.31 177.55 2bse h ASP 54 N 0.32 0.00 0.00 2.17 5.19 -1.93 -3.34 116.42 118.82 2bse h ASP 54 Ca -0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 2bse h ASP 54 Cb 1.41 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.92 2bse h ASP 54 CO 0.14 0.52 -0.55 -1.22 -3.12 0.00 0.00 179.24 175.01 2bse n TYR 55 N -3.69 0.00 -3.59 4.55 4.02 -1.23 -5.03 117.16 112.20 2bse n TYR 55 Ca -0.01 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.66 2bse n TYR 55 Cb 0.58 -0.04 0.07 0.00 -0.02 0.00 0.00 39.34 39.93 2bse n TYR 55 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2bse n ASP 56 N -1.30 -4.58 -4.26 7.72 2.03 -0.22 -5.02 116.55 110.93 2bse n ASP 56 Ca 0.00 -0.61 -0.17 0.00 0.52 0.00 0.00 54.79 54.53 2bse n ASP 56 Cb 0.11 -4.89 -0.11 0.00 -0.72 0.00 0.00 41.12 35.51 2bse n ASP 56 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2bse s MET 57 N -6.04 1.08 0.21 -0.67 -1.94 -1.21 -4.98 119.30 105.75 2bse s MET 57 Ca 0.38 -1.33 0.09 0.00 -1.71 0.00 0.00 55.69 53.12 2bse s MET 57 Cb -0.17 -0.89 -0.05 0.00 2.01 0.00 0.00 34.83 35.73 2bse s MET 57 CO 0.75 0.16 -0.18 0.95 -0.01 0.00 0.00 175.02 176.69 2bse s THR 58 N -2.47 2.00 -0.03 2.05 -4.23 -1.26 -0.87 115.64 110.83 2bse s THR 58 Ca 0.12 -2.15 0.06 0.00 -1.18 0.00 0.00 61.69 58.54 2bse s THR 58 Cb -0.03 -2.05 -0.01 0.00 1.34 0.00 0.00 72.50 71.75 2bse s THR 58 CO 0.03 -0.42 -0.21 -0.47 -0.54 0.00 0.00 174.62 173.01 2bse s TYR 59 N -2.46 2.00 0.04 3.99 5.04 0.30 -4.99 117.35 121.27 2bse s TYR 59 Ca 0.22 -0.49 0.05 0.00 -2.44 0.00 0.00 57.07 54.42 2bse s TYR 59 Cb -0.04 -1.31 -0.02 0.00 0.35 0.00 0.00 41.96 40.94 2bse s TYR 59 CO 0.09 -0.12 -0.16 0.71 -1.34 0.00 0.00 175.55 174.74 2bse s TYR 60 N -0.27 1.37 0.45 4.97 2.02 -1.26 -1.90 117.35 122.73 2bse s TYR 60 Ca 0.02 -0.36 -0.21 0.00 -0.37 0.00 0.00 57.07 56.15 2bse s TYR 60 Cb -0.11 -0.81 -0.10 0.00 -0.40 0.00 0.00 41.96 40.54 2bse s TYR 60 CO 0.01 0.05 0.99 0.00 -1.57 0.00 0.00 175.55 175.03 2bse s ALA 61 N -0.85 2.97 0.31 3.71 0.00 -0.47 -4.88 121.76 122.55 2bse s ALA 61 Ca 0.03 0.49 0.06 0.00 0.00 0.00 0.00 51.96 52.54 2bse s ALA 61 Cb -0.08 -3.19 0.72 0.00 0.00 0.00 0.00 23.12 20.57 2bse s ALA 61 CO 0.01 -0.05 1.81 -0.44 0.00 0.00 0.00 175.76 177.09 2bse h ASP 62 N 1.78 0.78 0.64 0.00 3.32 -1.96 -0.54 116.42 120.45 2bse h ASP 62 Ca -0.49 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 56.57 2bse h ASP 62 Cb 1.20 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 2bse h ASP 62 CO 0.60 0.34 -0.28 0.77 -1.72 0.00 0.00 179.24 178.96 2bse h SER 63 N 0.80 0.00 -0.12 6.45 4.64 -1.98 -3.19 113.55 120.15 2bse h SER 63 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 2bse h SER 63 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2bse h SER 63 CO -0.31 0.28 0.00 1.33 -0.87 0.00 0.00 176.83 177.26 2bse n VAL 64 N -3.63 0.44 -1.67 0.95 0.24 -0.53 -4.98 118.33 109.15 2bse n VAL 64 Ca -0.01 -0.72 -0.45 0.00 -2.04 0.00 0.00 64.34 61.12 2bse n VAL 64 Cb 0.40 0.88 -0.04 0.00 -1.47 0.00 0.00 33.84 33.61 2bse n VAL 64 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2bse n LYS 65 N 0.39 2.58 0.00 7.34 4.81 -0.32 -2.06 118.16 130.89 2bse n LYS 65 Ca 0.07 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.45 2bse n LYS 65 Cb 0.29 -2.86 0.00 0.00 0.02 0.00 0.00 35.03 32.48 2bse n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2bse n GLY 66 N 4.50 3.22 0.11 3.14 0.00 -1.26 -4.81 105.19 110.09 2bse n GLY 66 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 2bse n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bse n ARG 67 N -1.76 0.69 -4.00 1.61 1.74 -0.88 -4.94 116.66 109.12 2bse n ARG 67 Ca 0.00 0.23 -0.33 0.00 -0.77 0.00 0.00 57.85 56.98 2bse n ARG 67 Cb 0.00 -1.71 -0.06 0.00 -1.02 0.00 0.00 32.46 29.68 2bse n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2bse s PHE 68 N -2.56 3.42 -0.04 -1.55 0.40 -0.97 -2.15 117.98 114.52 2bse s PHE 68 Ca -0.14 0.29 -0.00 0.00 -0.60 0.00 0.00 56.93 56.47 2bse s PHE 68 Cb 0.07 -1.79 0.03 0.00 0.51 0.00 0.00 43.02 41.84 2bse s PHE 68 CO 0.78 0.60 0.01 0.99 0.70 0.00 0.00 175.22 178.30 2bse s THR 69 N -1.25 0.19 -0.10 0.64 2.01 -0.12 -4.94 115.64 112.08 2bse s THR 69 Ca 0.25 0.14 -0.00 0.00 0.31 0.00 0.00 61.69 62.38 2bse s THR 69 Cb -0.12 -0.32 -0.03 0.00 0.01 0.00 0.00 72.50 72.04 2bse s THR 69 CO 0.16 0.18 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.49 2bse s VAL 70 N 1.39 3.52 0.17 3.82 1.01 -1.26 -0.50 120.40 128.56 2bse s VAL 70 Ca -0.04 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.33 2bse s VAL 70 Cb -0.13 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 2bse s VAL 70 CO -0.03 0.56 0.29 -0.94 0.00 0.00 0.00 175.10 174.98 2bse s SER 71 N -0.28 0.04 0.48 3.32 1.04 -0.45 -4.97 113.70 112.88 2bse s SER 71 Ca 0.03 -0.92 0.01 0.00 0.48 0.00 0.00 55.95 55.56 2bse s SER 71 Cb -0.13 0.44 -0.00 0.00 0.10 0.00 0.00 66.02 66.43 2bse s SER 71 CO 0.03 -0.91 0.04 -2.11 0.98 0.00 0.00 173.24 171.27 2bse n ARG 72 N -0.23 0.71 0.00 4.02 1.85 -1.26 0.26 116.66 122.00 2bse n ARG 72 Ca -0.06 -3.67 0.00 0.00 -1.00 0.00 0.00 57.85 53.12 2bse n ARG 72 Cb 0.63 1.26 0.00 0.00 -1.05 0.00 0.00 32.46 33.30 2bse n ARG 72 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2bse n ASP 73 N -1.37 0.00 0.00 2.89 4.64 -1.26 -4.98 116.55 116.47 2bse n ASP 73 Ca -0.17 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.24 2bse n ASP 73 Cb 0.64 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.72 2bse n ASP 73 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 2bse n SER 74 N -0.84 0.00 0.00 1.67 3.41 -1.26 -4.96 113.62 111.64 2bse n SER 74 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 2bse n SER 74 Cb 0.00 0.00 0.80 0.00 -0.26 0.00 0.00 64.21 64.75 2bse n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bse n GLY 75 N 0.00 -1.06 0.32 5.00 0.00 -1.26 -4.03 105.19 104.16 2bse n GLY 75 Ca 0.00 -0.16 0.20 0.00 0.00 0.00 0.00 46.02 46.06 2bse n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bse h LYS 76 N 0.00 0.00 -6.41 1.61 1.57 -2.01 -3.46 116.57 107.88 2bse h LYS 76 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 2bse h LYS 76 Cb 0.12 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.37 2bse h LYS 76 CO 0.00 0.00 -0.83 -1.71 -0.57 0.00 0.00 179.45 176.34 2bse n ASN 77 N -2.94 -2.45 -4.13 0.86 5.15 -1.26 -4.69 115.26 105.80 2bse n ASN 77 Ca -0.03 -0.90 -0.20 0.00 -0.60 0.00 0.00 54.58 52.85 2bse n ASN 77 Cb 0.12 -3.44 -0.13 0.00 -0.53 0.00 0.00 39.78 35.79 2bse n ASN 77 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2bse s THR 78 N -3.56 1.06 -0.10 -0.44 2.01 -1.26 -1.61 115.64 111.73 2bse s THR 78 Ca 0.36 -0.92 0.04 0.00 0.31 0.00 0.00 61.69 61.48 2bse s THR 78 Cb -0.19 -0.95 -0.00 0.00 0.01 0.00 0.00 72.50 71.37 2bse s THR 78 CO 0.86 0.03 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.90 2bse s VAL 79 N -0.77 2.04 -0.16 3.82 1.01 -0.91 -4.20 120.40 121.24 2bse s VAL 79 Ca 0.02 -1.01 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 2bse s VAL 79 Cb -0.07 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 2bse s VAL 79 CO 0.01 0.56 0.01 -0.31 0.00 0.00 0.00 175.10 175.37 2bse s TYR 80 N 0.33 3.14 -0.32 5.22 2.02 0.14 -2.72 117.35 125.16 2bse s TYR 80 Ca -0.18 -0.08 -0.01 0.00 -0.37 0.00 0.00 57.07 56.43 2bse s TYR 80 Cb -0.18 -1.99 0.07 0.00 -0.40 0.00 0.00 41.96 39.46 2bse s TYR 80 CO 0.09 0.11 0.03 -1.17 -1.57 0.00 0.00 175.55 173.04 2bse s LEU 81 N 0.19 4.17 -0.30 -1.29 2.96 0.43 -1.35 118.68 123.50 2bse s LEU 81 Ca 0.01 -1.50 -0.16 0.00 -0.22 0.00 0.00 54.13 52.26 2bse s LEU 81 Cb -0.13 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 2bse s LEU 81 CO 0.02 -0.31 0.42 -1.58 -1.32 0.00 0.00 176.35 173.57 2bse s GLN 82 N 1.19 3.87 -0.16 1.98 2.00 0.34 -0.95 119.66 127.93 2bse s GLN 82 Ca -0.02 -0.03 -0.04 0.00 -2.00 0.00 0.00 55.36 53.27 2bse s GLN 82 Cb -0.20 -3.71 -0.03 0.00 0.80 0.00 0.00 33.01 29.87 2bse s GLN 82 CO -0.03 -0.40 -0.02 -1.64 -0.50 0.00 0.00 175.29 172.71 2bse s MET 83 N 2.17 3.74 0.15 1.67 -1.94 -0.25 -0.94 119.30 123.89 2bse s MET 83 Ca 0.16 -0.48 0.05 0.00 -1.71 0.00 0.00 55.69 53.71 2bse s MET 83 Cb -0.16 -2.98 -0.04 0.00 2.01 0.00 0.00 34.83 33.66 2bse s MET 83 CO 0.11 0.25 -0.12 -0.80 -0.01 0.00 0.00 175.02 174.45 2bse s ASN 84 N 0.35 1.94 -1.06 3.03 0.01 -0.91 -2.08 114.94 116.22 2bse s ASN 84 Ca -0.03 -0.96 -0.16 0.00 -0.71 0.00 0.00 52.86 51.01 2bse s ASN 84 Cb -0.14 -0.04 -0.02 0.00 0.41 0.00 0.00 41.25 41.46 2bse s ASN 84 CO 0.02 -0.26 0.79 -1.20 -1.51 0.00 0.00 177.10 174.94 2bse n SER 85 N -0.03 -5.71 -4.62 -1.22 7.64 -1.06 -4.65 113.62 103.97 2bse n SER 85 Ca -0.11 -0.89 -0.43 0.00 1.01 0.00 0.00 58.87 58.45 2bse n SER 85 Cb 0.60 -3.66 -0.03 0.00 -1.01 0.00 0.00 64.21 60.11 2bse n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2bse s LEU 86 N -5.99 3.94 0.41 -3.43 1.02 -1.24 -4.83 118.68 108.55 2bse s LEU 86 Ca 0.40 0.84 -0.11 0.00 0.02 0.00 0.00 54.13 55.28 2bse s LEU 86 Cb -0.13 -3.43 -0.06 0.00 0.02 0.00 0.00 46.19 42.59 2bse s LEU 86 CO 0.84 -0.88 0.77 -0.54 0.02 0.00 0.00 176.35 176.56 2bse s LYS 87 N 3.61 3.79 0.01 1.70 1.02 -1.26 -2.33 119.74 126.28 2bse s LYS 87 Ca 0.43 0.48 0.08 0.00 0.02 0.00 0.00 55.97 56.97 2bse s LYS 87 Cb -0.12 -2.39 0.33 0.00 -0.52 0.00 0.00 37.83 35.13 2bse s LYS 87 CO 0.17 -0.04 1.24 -0.35 -0.92 0.00 0.00 175.35 175.46 2bse n PRO 88 N -1.29 0.00 -0.25 -1.68 -0.04 -1.26 -1.51 135.00 128.97 2bse n PRO 88 Ca 0.02 0.38 0.10 0.00 -0.04 0.00 0.00 63.50 63.96 2bse n PRO 88 Cb 0.54 -1.51 0.26 0.00 -0.04 0.00 0.00 33.50 32.75 2bse n PRO 88 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2bse n GLU 89 N -1.52 2.31 0.00 0.54 0.28 -1.26 -3.99 120.64 117.00 2bse n GLU 89 Ca 0.02 -2.01 0.11 0.00 -0.16 0.00 0.00 57.16 55.12 2bse n GLU 89 Cb 0.09 -1.45 0.09 0.00 1.43 0.00 0.00 31.44 31.60 2bse n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2bse n ASP 90 N 1.15 2.89 -4.65 -1.84 8.00 -0.57 -4.95 116.55 116.59 2bse n ASP 90 Ca 0.19 -1.95 -0.42 0.00 0.71 0.00 0.00 54.79 53.32 2bse n ASP 90 Cb 0.49 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.57 2bse n ASP 90 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2bse s THR 91 N -1.91 3.24 0.23 -3.53 -4.23 -1.26 -4.94 115.64 103.25 2bse s THR 91 Ca 0.27 0.29 -0.22 0.00 -1.18 0.00 0.00 61.69 60.84 2bse s THR 91 Cb 0.19 -3.22 0.04 0.00 1.34 0.00 0.00 72.50 70.85 2bse s THR 91 CO 0.29 -0.06 0.78 0.00 -0.54 0.00 0.00 174.62 175.09 2bse s ALA 92 N 5.11 -1.37 -0.46 3.99 0.00 -0.13 -4.65 121.76 124.25 2bse s ALA 92 Ca 0.85 -0.13 -0.18 0.00 0.00 0.00 0.00 51.96 52.50 2bse s ALA 92 Cb -0.36 0.79 0.04 0.00 0.00 0.00 0.00 23.12 23.58 2bse s ALA 92 CO 0.36 -1.02 0.54 -1.50 0.00 0.00 0.00 175.76 174.14 2bse s ILE 93 N -3.72 4.97 -0.29 0.00 2.07 -1.24 -0.74 121.20 122.25 2bse s ILE 93 Ca 0.11 -0.37 -0.21 0.00 -1.41 0.00 0.00 60.65 58.76 2bse s ILE 93 Cb -0.04 -4.17 -0.01 0.00 0.13 0.00 0.00 42.46 38.37 2bse s ILE 93 CO 0.04 -0.61 0.66 -0.31 -1.91 0.00 0.00 174.94 172.82 2bse s TYR 94 N 2.40 3.23 -0.18 3.50 1.51 -0.72 -4.01 117.35 123.08 2bse s TYR 94 Ca 0.14 0.69 -0.11 0.00 -1.01 0.00 0.00 57.07 56.79 2bse s TYR 94 Cb -0.18 -2.99 -0.05 0.00 -0.11 0.00 0.00 41.96 38.63 2bse s TYR 94 CO 0.13 -0.45 0.18 0.71 -1.11 0.00 0.00 175.55 175.01 2bse s TYR 95 N 2.64 3.44 0.32 2.71 1.51 -1.06 -1.86 117.35 125.05 2bse s TYR 95 Ca 0.27 0.42 -0.25 0.00 -1.01 0.00 0.00 57.07 56.50 2bse s TYR 95 Cb -0.15 -2.20 -0.10 0.00 -0.11 0.00 0.00 41.96 39.40 2bse s TYR 95 CO 0.11 0.30 0.93 0.00 -1.11 0.00 0.00 175.55 175.78 2bse s ALA 97 N -1.63 -0.84 -0.03 0.00 0.00 -0.73 -1.24 121.76 117.29 2bse s ALA 97 Ca 0.50 1.25 0.04 0.00 0.00 0.00 0.00 51.96 53.75 2bse s ALA 97 Cb -0.18 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 2bse s ALA 97 CO 0.23 -0.22 -0.16 0.00 0.00 0.00 0.00 175.76 175.61 2bse s ALA 98 N 1.16 1.37 0.08 0.00 0.00 -0.87 -1.64 121.76 121.86 2bse s ALA 98 Ca -0.08 -0.65 -0.12 0.00 0.00 0.00 0.00 51.96 51.11 2bse s ALA 98 Cb -0.08 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.64 2bse s ALA 98 CO -0.09 0.28 0.28 -0.98 0.00 0.00 0.00 175.76 175.25 2bse s ARG 99 N -0.13 0.88 -0.28 0.00 1.70 -0.33 -1.44 118.95 119.34 2bse s ARG 99 Ca 0.01 -0.74 -0.08 0.00 -0.47 0.00 0.00 55.73 54.45 2bse s ARG 99 Cb -0.09 0.37 -0.01 0.00 -0.57 0.00 0.00 34.95 34.65 2bse s ARG 99 CO 0.01 -0.30 0.10 0.45 -1.08 0.00 0.00 175.30 174.48 2bse s SER 100 N -2.56 5.27 0.00 -2.89 0.15 -1.26 -0.51 113.70 111.91 2bse s SER 100 Ca 0.01 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.19 2bse s SER 100 Cb 0.02 -1.94 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 2bse s SER 100 CO -0.08 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2bse n GLY 101 N 4.93 -0.55 0.00 9.45 0.00 -0.93 -4.95 105.19 113.14 2bse n GLY 101 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2bse n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bse n GLY 102 N 0.00 -1.43 3.74 -0.02 0.00 -1.09 -5.01 105.19 101.38 2bse n GLY 102 Ca 0.00 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 2bse n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bse s PHE 103 N -0.17 3.56 -0.02 1.61 2.99 -1.26 -4.87 117.98 119.82 2bse s PHE 103 Ca 0.00 1.57 -0.02 0.00 0.00 0.00 0.00 56.93 58.49 2bse s PHE 103 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 43.02 39.72 2bse s PHE 103 CO 0.00 -0.71 0.04 0.45 -0.00 0.00 0.00 175.22 175.01 2bse s SER 104 N -0.09 -0.04 0.22 1.36 0.15 -1.26 -5.02 113.70 109.03 2bse s SER 104 Ca 0.50 0.07 0.12 0.00 0.70 0.00 0.00 55.95 57.33 2bse s SER 104 Cb -0.30 0.10 0.01 0.00 -1.71 0.00 0.00 66.02 64.12 2bse s SER 104 CO 0.35 -0.03 1.41 0.28 1.20 0.00 0.00 173.24 176.45 2bse h SER 105 N 6.00 0.00 -3.15 5.45 0.02 -1.98 -3.46 113.55 116.43 2bse h SER 105 Ca -0.25 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.16 2bse h SER 105 Cb 1.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 2bse h SER 105 CO 0.48 0.70 0.62 0.21 -1.14 0.00 0.00 176.83 177.69 2bse s ASN 106 N -6.57 7.09 0.63 3.07 3.04 -1.26 -4.62 114.94 116.32 2bse s ASN 106 Ca 0.02 1.87 0.36 0.00 0.04 0.00 0.00 52.86 55.15 2bse s ASN 106 Cb 0.09 -2.57 2.03 0.00 -1.54 0.00 0.00 41.25 39.26 2bse s ASN 106 CO 0.77 -0.51 2.23 -0.09 -3.04 0.00 0.00 177.10 176.46 2bse h ARG 107 N 7.17 0.00 0.00 0.43 2.43 -1.96 -3.41 114.38 119.04 2bse h ARG 107 Ca -0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 2bse h ARG 107 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2bse h ARG 107 CO 0.84 0.00 0.00 -1.91 -1.51 0.00 0.00 179.97 177.39 2bse n GLU 108 N -3.38 0.00 -3.75 0.20 2.13 -1.26 -4.03 120.64 110.55 2bse n GLU 108 Ca -0.02 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.44 2bse n GLU 108 Cb 0.17 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.77 2bse n GLU 108 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2bse s LEU 109 N 0.00 5.28 -0.40 4.31 1.98 -1.26 -4.98 118.68 123.60 2bse s LEU 109 Ca 0.00 -2.24 0.01 0.00 -2.89 0.00 0.00 54.13 49.01 2bse s LEU 109 Cb 0.00 -1.85 0.11 0.00 0.66 0.00 0.00 46.19 45.12 2bse s LEU 109 CO 0.00 -0.51 0.15 -0.31 -1.89 0.00 0.00 176.35 173.80 2bse s TYR 110 N 0.84 3.62 0.46 5.38 1.51 -1.26 -4.82 117.35 123.09 2bse s TYR 110 Ca 0.10 -2.81 0.33 0.00 -1.01 0.00 0.00 57.07 53.69 2bse s TYR 110 Cb -0.22 -3.04 1.46 0.00 -0.11 0.00 0.00 41.96 40.05 2bse s TYR 110 CO -0.04 -0.93 1.64 -0.44 -1.11 0.00 0.00 175.55 174.68 2bse h ASP 111 N 7.60 0.20 -3.40 2.29 3.32 -1.63 -3.33 116.42 121.46 2bse h ASP 111 Ca -0.07 0.10 -0.66 0.00 0.02 0.00 0.00 57.03 56.42 2bse h ASP 111 Cb 1.01 0.09 -0.19 0.00 0.22 0.00 0.00 39.33 40.46 2bse h ASP 111 CO 0.61 -0.12 -0.66 -0.83 -1.72 0.00 0.00 179.24 176.52 2bse s GLY 112 N -4.09 1.75 -0.20 2.75 0.00 -0.89 -5.01 107.32 101.62 2bse s GLY 112 Ca -0.07 -0.83 -0.05 0.00 0.00 0.00 0.00 44.72 43.77 2bse s GLY 112 CO 0.83 -0.34 0.12 0.86 0.00 0.00 0.00 173.10 174.57 2bse s TRP 113 N -0.24 0.12 0.89 1.90 -0.11 -1.25 -2.04 118.94 118.21 2bse s TRP 113 Ca 0.04 -0.33 -0.11 0.00 1.22 0.00 0.00 56.10 56.92 2bse s TRP 113 Cb -0.13 -0.67 0.13 0.00 -1.50 0.00 0.00 33.47 31.30 2bse s TRP 113 CO 0.02 -0.60 1.10 0.20 -4.62 0.00 0.00 176.95 173.06 2bse s GLY 114 N 2.17 1.65 0.48 5.86 0.00 -0.38 -4.90 107.32 112.21 2bse s GLY 114 Ca 0.04 0.27 0.27 0.00 0.00 0.00 0.00 44.72 45.31 2bse s GLY 114 CO -0.16 0.72 1.85 1.46 0.00 0.00 0.00 173.10 176.97 2bse h GLN 115 N -1.64 0.00 0.00 2.90 4.20 -1.91 -3.42 115.11 115.23 2bse h GLN 115 Ca -0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 2bse h GLN 115 Cb 1.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 2bse h GLN 115 CO 0.48 0.13 0.00 0.41 -0.67 0.00 0.00 178.83 179.18 2bse n GLY 116 N 0.24 2.53 2.83 3.46 0.00 -1.26 -5.01 105.19 107.98 2bse n GLY 116 Ca 0.01 -1.94 -0.16 0.00 0.00 0.00 0.00 46.02 43.93 2bse n GLY 116 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2bse s THR 117 N -2.93 -0.15 0.10 2.61 -1.32 -0.78 -4.97 115.64 108.21 2bse s THR 117 Ca 0.00 0.29 -0.31 0.00 -1.21 0.00 0.00 61.69 60.46 2bse s THR 117 Cb 0.00 -0.23 -0.08 0.00 -1.51 0.00 0.00 72.50 70.68 2bse s THR 117 CO 0.00 0.12 1.46 -1.58 -2.21 0.00 0.00 174.62 172.42 2bse s GLN 118 N 1.78 4.28 -0.20 7.08 2.00 -1.26 -1.75 119.66 131.58 2bse s GLN 118 Ca -0.02 2.15 0.00 0.00 -2.00 0.00 0.00 55.36 55.50 2bse s GLN 118 Cb -0.12 -3.31 0.05 0.00 0.80 0.00 0.00 33.01 30.43 2bse s GLN 118 CO -0.05 -0.53 -0.06 0.08 -0.50 0.00 0.00 175.29 174.23 2bse s VAL 119 N 1.48 1.36 -0.06 1.34 1.01 0.08 -1.91 120.40 123.70 2bse s VAL 119 Ca 0.67 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.78 2bse s VAL 119 Cb -0.38 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 2bse s VAL 119 CO 0.30 0.04 -0.25 -0.89 0.00 0.00 0.00 175.10 174.30 2bse s THR 120 N 1.50 2.09 -0.26 3.92 2.01 -1.01 -0.95 115.64 122.95 2bse s THR 120 Ca -0.02 -1.05 -0.03 0.00 0.31 0.00 0.00 61.69 60.90 2bse s THR 120 Cb -0.17 -1.76 0.02 0.00 0.01 0.00 0.00 72.50 70.61 2bse s THR 120 CO -0.07 0.57 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.70 2bse s VAL 121 N -0.18 3.11 0.56 3.82 1.01 -1.26 -2.31 120.40 125.15 2bse s VAL 121 Ca -0.03 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 60.94 2bse s VAL 121 Cb -0.14 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 2bse s VAL 121 CO 0.04 0.19 0.91 -0.94 0.00 0.00 0.00 175.10 175.29 2bse s SER 122 N 1.37 6.10 0.00 3.32 1.04 0.21 -4.73 113.70 121.00 2bse s SER 122 Ca 0.01 1.08 0.28 0.00 0.48 0.00 0.00 55.95 57.80 2bse s SER 122 Cb -0.17 -2.22 1.05 0.00 0.10 0.00 0.00 66.02 64.78 2bse s SER 122 CO -0.03 -0.80 1.75 -1.20 0.98 0.00 0.00 173.24 173.94