#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fed s ARG 3 N 0.00 0.42 -0.29 7.34 3.52 -0.07 -4.92 118.95 124.94 2fed s ARG 3 Ca 0.00 1.05 -0.09 0.00 -0.13 0.00 0.00 55.73 56.56 2fed s ARG 3 Cb 0.00 0.63 -0.02 0.00 -1.56 0.00 0.00 34.95 34.01 2fed s ARG 3 CO 0.00 -0.14 0.14 -0.51 -0.81 0.00 0.00 175.30 173.97 2fed s LEU 4 N 2.65 3.95 -0.56 -0.88 1.43 -1.26 -2.37 118.68 121.63 2fed s LEU 4 Ca -0.04 -0.40 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 2fed s LEU 4 Cb -0.09 -2.00 0.15 0.00 0.03 0.00 0.00 46.19 44.29 2fed s LEU 4 CO -0.18 -0.14 0.35 -0.22 0.23 0.00 0.00 176.35 176.39 2fed s LEU 5 N 1.63 3.85 0.49 1.79 1.98 -1.08 -3.59 118.68 123.75 2fed s LEU 5 Ca 0.05 -3.26 -0.18 0.00 -2.89 0.00 0.00 54.13 47.85 2fed s LEU 5 Cb -0.16 -1.38 -0.09 0.00 0.66 0.00 0.00 46.19 45.22 2fed s LEU 5 CO 0.06 -0.17 0.98 -1.83 -1.89 0.00 0.00 176.35 173.50 2fed s GLU 6 N -0.57 3.98 0.30 1.98 1.03 -1.26 -2.46 118.70 121.70 2fed s GLU 6 Ca 0.22 1.06 -0.19 0.00 0.03 0.00 0.00 54.97 56.09 2fed s GLU 6 Cb -0.14 -2.14 0.06 0.00 -0.80 0.00 0.00 34.13 31.11 2fed s GLU 6 CO -0.08 -0.25 0.87 -1.54 -1.33 0.00 0.00 175.26 172.93 2fed s SER 7 N -2.68 -0.02 0.00 0.83 1.04 -0.19 -4.57 113.70 108.10 2fed s SER 7 Ca 0.61 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 56.12 2fed s SER 7 Cb -0.11 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.73 2fed s SER 7 CO 0.25 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 173.68 2fed n GLY 8 N -0.58 0.78 4.00 7.32 0.00 -1.26 -1.31 105.19 114.15 2fed n GLY 8 Ca -0.06 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 2fed n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fed s GLY 9 N -2.19 1.75 0.00 -0.02 0.00 -1.26 -4.66 107.32 100.94 2fed s GLY 9 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 44.72 42.91 2fed s GLY 9 CO 0.00 -1.24 0.00 0.61 0.00 0.00 0.00 173.10 172.47 2fed n GLY 10 N -2.80 0.50 3.70 0.20 0.00 -0.28 -4.91 105.19 101.60 2fed n GLY 10 Ca 0.16 -1.20 -0.39 0.00 0.00 0.00 0.00 46.02 44.58 2fed n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2fed s LEU 11 N 0.00 4.25 0.01 0.99 2.96 -1.26 -0.64 118.68 124.99 2fed s LEU 11 Ca 0.00 0.99 0.02 0.00 -0.22 0.00 0.00 54.13 54.92 2fed s LEU 11 Cb 0.00 -2.93 -0.01 0.00 0.50 0.00 0.00 46.19 43.75 2fed s LEU 11 CO 0.00 -0.14 -0.08 0.68 -1.32 0.00 0.00 176.35 175.49 2fed s VAL 12 N 1.13 0.58 0.30 1.68 -7.23 -1.04 -5.00 120.40 110.83 2fed s VAL 12 Ca 0.32 -0.57 -0.28 0.00 -1.81 0.00 0.00 61.98 59.63 2fed s VAL 12 Cb -0.16 -0.54 -0.09 0.00 0.56 0.00 0.00 36.38 36.14 2fed s VAL 12 CO 0.14 -0.02 1.07 -1.10 -0.31 0.00 0.00 175.10 174.88 2fed s GLN 13 N -0.65 4.55 0.28 4.82 -0.21 -1.26 -2.48 119.66 124.71 2fed s GLN 13 Ca -0.01 1.71 -0.28 0.00 0.02 0.00 0.00 55.36 56.80 2fed s GLN 13 Cb -0.05 -3.05 -0.14 0.00 1.00 0.00 0.00 33.01 30.76 2fed s GLN 13 CO 0.00 0.16 1.01 -2.30 -2.12 0.00 0.00 175.29 172.05 2fed n PRO 14 N 0.94 1.31 -0.12 2.91 -0.02 -1.26 -1.56 135.00 137.19 2fed n PRO 14 Ca 0.00 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2fed n PRO 14 Cb 0.46 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 2fed n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fed n GLY 15 N 1.32 2.25 0.00 -1.23 0.00 -0.68 -4.84 105.19 102.01 2fed n GLY 15 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2fed n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fed n GLY 16 N -2.00 -0.18 3.35 -0.02 0.00 -0.60 -3.64 105.19 102.10 2fed n GLY 16 Ca 0.00 -1.50 -0.15 0.00 0.00 0.00 0.00 46.02 44.37 2fed n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fed s SER 17 N -1.11 -0.39 -0.01 1.61 1.04 -1.26 -0.75 113.70 112.83 2fed s SER 17 Ca 0.00 0.42 -0.03 0.00 0.48 0.00 0.00 55.95 56.82 2fed s SER 17 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2fed s SER 17 CO 0.00 -0.46 0.08 -1.48 0.98 0.00 0.00 173.24 172.36 2fed s LEU 18 N -1.05 1.75 -0.41 2.42 2.34 -1.17 -4.99 118.68 117.56 2fed s LEU 18 Ca -0.11 -0.04 -0.14 0.00 0.06 0.00 0.00 54.13 53.91 2fed s LEU 18 Cb -0.03 0.35 0.04 0.00 -0.56 0.00 0.00 46.19 45.98 2fed s LEU 18 CO 0.06 -0.16 0.29 -0.75 -1.06 0.00 0.00 176.35 174.72 2fed s LYS 19 N -0.57 2.90 0.09 1.48 2.20 -1.26 -1.85 119.74 122.72 2fed s LYS 19 Ca -0.06 -1.14 -0.26 0.00 -0.36 0.00 0.00 55.97 54.15 2fed s LYS 19 Cb -0.04 -3.92 -0.06 0.00 -1.51 0.00 0.00 37.83 32.29 2fed s LYS 19 CO 0.00 -0.81 0.79 -0.51 -0.36 0.00 0.00 175.35 174.46 2fed s LEU 20 N 1.62 4.50 0.28 5.43 1.43 0.53 -4.78 118.68 127.70 2fed s LEU 20 Ca 0.04 1.55 0.08 0.00 -1.03 0.00 0.00 54.13 54.76 2fed s LEU 20 Cb -0.20 -3.29 -0.03 0.00 0.03 0.00 0.00 46.19 42.69 2fed s LEU 20 CO 0.08 0.07 0.19 -0.44 0.23 0.00 0.00 176.35 176.48 2fed s SER 21 N -0.42 5.28 -0.21 2.29 0.01 -0.42 -0.35 113.70 119.87 2fed s SER 21 Ca 0.38 -0.40 -0.04 0.00 1.31 0.00 0.00 55.95 57.21 2fed s SER 21 Cb -0.22 -1.17 0.11 0.00 0.21 0.00 0.00 66.02 64.95 2fed s SER 21 CO 0.25 -0.13 0.32 0.00 0.41 0.00 0.00 173.24 174.08 2fed s ALA 23 N 2.46 3.48 0.50 0.00 0.00 -1.03 0.02 121.76 127.19 2fed s ALA 23 Ca 0.08 -1.60 -0.11 0.00 0.00 0.00 0.00 51.96 50.34 2fed s ALA 23 Cb -0.15 -2.88 -0.06 0.00 0.00 0.00 0.00 23.12 20.03 2fed s ALA 23 CO -0.13 -1.38 0.89 0.00 0.00 0.00 0.00 175.76 175.13 2fed s ALA 24 N 1.79 3.24 -0.30 0.00 0.00 -1.03 -2.64 121.76 122.82 2fed s ALA 24 Ca 0.07 -0.15 -0.17 0.00 0.00 0.00 0.00 51.96 51.70 2fed s ALA 24 Cb -0.18 -2.87 0.19 0.00 0.00 0.00 0.00 23.12 20.26 2fed s ALA 24 CO 0.11 -0.30 1.18 -1.54 0.00 0.00 0.00 175.76 175.20 2fed s SER 25 N -3.60 -0.24 0.00 0.00 1.04 -1.00 -4.85 113.70 105.05 2fed s SER 25 Ca 0.53 0.34 0.00 0.00 0.48 0.00 0.00 55.95 57.30 2fed s SER 25 Cb -0.10 1.24 0.00 0.00 0.10 0.00 0.00 66.02 67.25 2fed s SER 25 CO 0.40 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.18 2fed n GLY 26 N 4.35 1.13 3.49 7.32 0.00 -1.26 -0.90 105.19 119.33 2fed n GLY 26 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 2fed n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2fed s PHE 27 N -1.60 -0.43 -0.36 1.61 -0.71 -1.26 -3.57 117.98 111.66 2fed s PHE 27 Ca 0.00 0.37 -0.28 0.00 -1.04 0.00 0.00 56.93 55.98 2fed s PHE 27 Cb 0.00 0.52 -0.01 0.00 -1.21 0.00 0.00 43.02 42.32 2fed s PHE 27 CO 0.00 -0.61 1.68 0.34 -1.34 0.00 0.00 175.22 175.29 2fed s ASP 28 N -2.29 6.02 0.34 1.98 3.68 -1.26 -4.84 116.67 120.30 2fed s ASP 28 Ca 0.02 1.15 0.16 0.00 2.13 0.00 0.00 52.55 56.01 2fed s ASP 28 Cb -0.01 -2.53 0.60 0.00 -1.45 0.00 0.00 42.92 39.53 2fed s ASP 28 CO -0.07 -1.63 1.71 0.22 0.13 0.00 0.00 175.17 175.53 2fed h TYR 29 N 12.24 0.00 -3.37 -5.34 3.20 -1.96 -3.41 116.97 118.33 2fed h TYR 29 Ca -0.32 0.00 -0.40 0.00 3.14 0.00 0.00 58.73 61.15 2fed h TYR 29 Cb 1.15 0.00 0.20 0.00 1.54 0.00 0.00 36.73 39.62 2fed h TYR 29 CO 0.96 0.45 0.07 -1.12 -1.64 0.00 0.00 178.16 176.88 2fed s SER 30 N -6.62 0.34 0.00 -2.11 0.01 -1.26 -3.79 113.70 100.27 2fed s SER 30 Ca -0.01 0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.88 2fed s SER 30 Cb 0.12 -0.86 0.00 0.00 0.21 0.00 0.00 66.02 65.49 2fed s SER 30 CO 0.71 -4.48 0.00 0.54 0.41 0.00 0.00 173.24 170.42 2fed n ARG 31 N -5.00 0.00 -4.11 12.44 5.12 -1.26 -4.93 116.66 118.91 2fed n ARG 31 Ca 0.14 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.71 2fed n ARG 31 Cb 0.60 -0.90 -0.13 0.00 -1.16 0.00 0.00 32.46 30.86 2fed n ARG 31 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2fed s TYR 32 N -0.33 2.98 0.29 -1.55 1.51 -1.25 -4.92 117.35 114.09 2fed s TYR 32 Ca 0.00 -0.64 -0.29 0.00 -1.01 0.00 0.00 57.07 55.13 2fed s TYR 32 Cb 0.00 -2.06 -0.10 0.00 -0.11 0.00 0.00 41.96 39.69 2fed s TYR 32 CO 0.00 -0.33 1.34 -1.58 -1.11 0.00 0.00 175.55 173.87 2fed s TRP 33 N 1.06 3.06 0.27 2.71 0.52 -1.26 -4.17 118.94 121.14 2fed s TRP 33 Ca 0.01 1.29 0.08 0.00 0.02 0.00 0.00 56.10 57.50 2fed s TRP 33 Cb -0.15 -3.71 -0.04 0.00 -1.15 0.00 0.00 33.47 28.43 2fed s TRP 33 CO 0.01 -2.09 0.15 -1.64 0.02 0.00 0.00 176.95 173.40 2fed s MET 34 N -1.22 2.68 0.15 4.98 -1.94 -0.92 -1.52 119.30 121.51 2fed s MET 34 Ca 0.53 -1.22 -0.02 0.00 -1.71 0.00 0.00 55.69 53.27 2fed s MET 34 Cb -0.40 -2.41 -0.04 0.00 2.01 0.00 0.00 34.83 33.99 2fed s MET 34 CO 0.49 0.33 0.10 0.45 -0.01 0.00 0.00 175.02 176.38 2fed s SER 35 N -3.81 0.24 -0.08 3.03 0.15 0.19 -1.16 113.70 112.26 2fed s SER 35 Ca 0.34 -1.23 0.01 0.00 0.70 0.00 0.00 55.95 55.76 2fed s SER 35 Cb -0.07 0.33 0.02 0.00 -1.71 0.00 0.00 66.02 64.60 2fed s SER 35 CO 0.24 -0.78 -0.07 0.26 1.20 0.00 0.00 173.24 174.08 2fed s TRP 36 N -4.07 1.22 -0.04 3.44 0.52 -0.38 -0.90 118.94 118.72 2fed s TRP 36 Ca 0.28 -0.49 0.04 0.00 0.02 0.00 0.00 56.10 55.95 2fed s TRP 36 Cb 0.07 -1.01 -0.00 0.00 -1.15 0.00 0.00 33.47 31.37 2fed s TRP 36 CO 0.05 -0.35 -0.16 0.08 0.02 0.00 0.00 176.95 176.58 2fed s VAL 37 N 1.27 1.34 0.18 4.03 1.01 0.58 -0.00 120.40 128.80 2fed s VAL 37 Ca -0.04 -0.68 0.09 0.00 0.00 0.00 0.00 61.98 61.35 2fed s VAL 37 Cb -0.14 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 2fed s VAL 37 CO -0.03 0.39 -0.08 0.00 0.00 0.00 0.00 175.10 175.38 2fed s ARG 38 N -0.03 2.12 -0.25 2.72 1.70 -0.10 -0.01 118.95 125.11 2fed s ARG 38 Ca -0.02 -1.25 -0.04 0.00 -0.47 0.00 0.00 55.73 53.95 2fed s ARG 38 Cb -0.10 -2.19 0.08 0.00 -0.57 0.00 0.00 34.95 32.18 2fed s ARG 38 CO 0.01 0.43 0.11 -1.14 -1.08 0.00 0.00 175.30 173.64 2fed s GLN 39 N -2.88 0.22 0.67 3.89 0.74 0.76 -1.38 119.66 121.68 2fed s GLN 39 Ca 0.26 -0.42 -0.16 0.00 0.05 0.00 0.00 55.36 55.08 2fed s GLN 39 Cb -0.09 -1.50 0.01 0.00 1.10 0.00 0.00 33.01 32.53 2fed s GLN 39 CO 0.16 -0.88 1.18 0.00 -0.55 0.00 0.00 175.29 175.20 2fed s ALA 40 N 2.06 2.33 0.42 1.58 0.00 -1.26 -0.82 121.76 126.06 2fed s ALA 40 Ca 0.06 0.83 -0.26 0.00 0.00 0.00 0.00 51.96 52.59 2fed s ALA 40 Cb -0.16 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.44 2fed s ALA 40 CO -0.25 -1.52 1.29 -2.30 0.00 0.00 0.00 175.76 172.98 2fed n PRO 41 N -2.32 1.99 -2.29 0.00 -0.02 -1.26 -2.25 135.00 128.84 2fed n PRO 41 Ca 0.13 0.71 -0.13 0.00 -2.02 0.00 0.00 63.50 62.18 2fed n PRO 41 Cb 0.50 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 2fed n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fed n GLY 42 N 0.78 -0.26 0.00 -1.23 0.00 -1.26 -4.91 105.19 98.30 2fed n GLY 42 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2fed n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2fed n LYS 43 N -2.68 1.50 0.00 1.61 5.02 -0.95 -5.19 118.16 117.46 2fed n LYS 43 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 2fed n LYS 43 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 2fed n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2fed n GLY 44 N 1.88 2.33 3.36 0.72 0.00 -1.26 -4.86 105.19 107.36 2fed n GLY 44 Ca 0.00 -2.01 -0.33 0.00 0.00 0.00 0.00 46.02 43.68 2fed n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fed s LEU 45 N 0.00 2.74 -0.09 0.99 1.43 -1.26 -4.17 118.68 118.32 2fed s LEU 45 Ca 0.00 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 2fed s LEU 45 Cb 0.00 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.61 2fed s LEU 45 CO 0.00 0.15 -0.14 -0.54 0.23 0.00 0.00 176.35 176.05 2fed s LYS 46 N 0.46 2.01 0.22 1.70 -0.14 -0.48 -4.99 119.74 118.52 2fed s LYS 46 Ca -0.09 -0.50 -0.30 0.00 -1.36 0.00 0.00 55.97 53.72 2fed s LYS 46 Cb -0.16 -1.69 -0.09 0.00 -1.68 0.00 0.00 37.83 34.21 2fed s LYS 46 CO 0.04 -0.02 1.30 -0.46 -0.76 0.00 0.00 175.35 175.45 2fed s TRP 47 N 0.86 3.25 -0.12 3.18 -0.00 -1.26 -0.92 118.94 123.92 2fed s TRP 47 Ca -0.10 1.27 -0.10 0.00 -0.00 0.00 0.00 56.10 57.17 2fed s TRP 47 Cb -0.15 -3.60 -0.03 0.00 -0.00 0.00 0.00 33.47 29.69 2fed s TRP 47 CO 0.01 -1.82 -0.20 -0.89 -0.00 0.00 0.00 176.95 174.06 2fed n ILE 48 N 2.33 1.11 -3.68 5.86 2.08 0.99 -4.66 119.36 123.39 2fed n ILE 48 Ca 0.05 0.26 -0.05 0.00 0.56 0.00 0.00 62.75 63.57 2fed n ILE 48 Cb 0.43 -2.17 -0.01 0.00 -0.75 0.00 0.00 39.64 37.13 2fed n ILE 48 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 2fed s GLY 49 N -4.13 -0.30 0.30 7.39 0.00 -1.19 -1.18 107.32 108.21 2fed s GLY 49 Ca -0.16 0.37 0.05 0.00 0.00 0.00 0.00 44.72 44.98 2fed s GLY 49 CO 0.24 0.09 0.00 -1.83 0.00 0.00 0.00 173.10 171.61 2fed s GLU 50 N -3.22 1.58 -0.30 2.90 -1.05 -0.32 -1.25 118.70 117.05 2fed s GLU 50 Ca 0.10 -1.84 0.00 0.00 -0.15 0.00 0.00 54.97 53.09 2fed s GLU 50 Cb -0.01 -0.98 0.19 0.00 -0.44 0.00 0.00 34.13 32.89 2fed s GLU 50 CO -0.01 -0.08 0.59 -1.50 0.95 0.00 0.00 175.26 175.21 2fed s ILE 51 N -3.17 -0.99 0.77 1.83 2.07 -0.31 -2.80 121.20 118.60 2fed s ILE 51 Ca 0.32 -0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.41 2fed s ILE 51 Cb 0.06 -0.99 0.03 0.00 0.13 0.00 0.00 42.46 41.69 2fed s ILE 51 CO 0.13 -0.01 0.97 -0.46 -1.91 0.00 0.00 174.94 173.67 2fed n ASN 52 N 5.43 0.35 -0.22 4.50 6.94 -1.07 -2.17 115.26 129.02 2fed n ASN 52 Ca 0.00 0.61 0.06 0.00 -0.02 0.00 0.00 54.58 55.23 2fed n ASN 52 Cb 0.52 -1.41 0.32 0.00 -2.36 0.00 0.00 39.78 36.84 2fed n ASN 52 CO 0.00 0.00 0.00 -0.65 -1.03 0.00 0.00 177.26 175.58 2fed h PRO 53 N -0.59 0.82 -0.68 -0.53 0.11 -1.92 -0.17 132.00 129.05 2fed h PRO 53 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2fed h PRO 53 Cb 1.32 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2fed h PRO 53 CO 0.45 0.54 0.00 1.33 -0.21 0.00 0.00 178.00 180.11 2fed n VAL 54 N -4.48 1.79 -1.17 3.15 0.24 -1.26 -4.92 118.33 111.68 2fed n VAL 54 Ca 0.12 -0.96 -0.09 0.00 -2.04 0.00 0.00 64.34 61.37 2fed n VAL 54 Cb 0.22 -0.24 -0.04 0.00 -1.47 0.00 0.00 33.84 32.32 2fed n VAL 54 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2fed n SER 55 N 0.54 -4.74 -0.19 -1.34 7.64 -0.08 -4.77 113.62 110.69 2fed n SER 55 Ca 0.20 0.22 0.14 0.00 1.01 0.00 0.00 58.87 60.43 2fed n SER 55 Cb 0.86 -3.54 0.49 0.00 -1.01 0.00 0.00 64.21 61.01 2fed n SER 55 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2fed n SER 56 N -0.63 0.78 -3.60 6.43 3.41 -1.26 -4.66 113.62 114.09 2fed n SER 56 Ca -0.09 -0.76 -0.20 0.00 -0.26 0.00 0.00 58.87 57.56 2fed n SER 56 Cb 0.49 0.04 -0.15 0.00 -0.26 0.00 0.00 64.21 64.32 2fed n SER 56 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2fed s THR 57 N -2.48 -0.22 -0.12 6.66 2.01 -1.26 -5.09 115.64 115.14 2fed s THR 57 Ca 0.27 0.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.34 2fed s THR 57 Cb 0.20 -0.47 0.03 0.00 0.01 0.00 0.00 72.50 72.26 2fed s THR 57 CO 0.49 -0.07 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.67 2fed s ILE 58 N 2.25 0.93 0.05 1.82 1.01 -1.26 -2.59 121.20 123.41 2fed s ILE 58 Ca 0.04 -0.32 0.09 0.00 0.00 0.00 0.00 60.65 60.46 2fed s ILE 58 Cb -0.14 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 2fed s ILE 58 CO -0.08 0.27 -0.24 0.20 0.00 0.00 0.00 174.94 175.08 2fed s ASN 59 N 1.74 2.94 0.47 3.58 0.01 -1.12 -5.00 114.94 117.54 2fed s ASN 59 Ca 0.04 -0.59 0.03 0.00 -0.71 0.00 0.00 52.86 51.63 2fed s ASN 59 Cb -0.13 -0.25 -0.03 0.00 0.41 0.00 0.00 41.25 41.24 2fed s ASN 59 CO -0.08 0.21 0.02 -0.31 -1.51 0.00 0.00 177.10 175.44 2fed s TYR 60 N -0.84 2.03 0.27 2.20 1.51 -1.26 -1.18 117.35 120.09 2fed s TYR 60 Ca 0.10 -0.91 -0.05 0.00 -1.01 0.00 0.00 57.07 55.20 2fed s TYR 60 Cb -0.10 -1.60 -0.05 0.00 -0.11 0.00 0.00 41.96 40.10 2fed s TYR 60 CO 0.02 0.23 0.54 -0.08 -1.11 0.00 0.00 175.55 175.15 2fed s THR 61 N -2.88 5.03 -0.57 -0.71 -1.32 -0.33 -4.92 115.64 109.93 2fed s THR 61 Ca 0.16 0.07 -0.05 0.00 -1.21 0.00 0.00 61.69 60.66 2fed s THR 61 Cb 0.04 -3.72 -0.20 0.00 -1.51 0.00 0.00 72.50 67.12 2fed s THR 61 CO 0.08 -0.28 1.40 -2.65 -2.21 0.00 0.00 174.62 170.96 2fed n PRO 62 N -0.82 0.00 -0.94 7.08 -0.02 -1.26 -4.78 135.00 134.26 2fed n PRO 62 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 2fed n PRO 62 Cb 0.54 -0.74 0.00 0.00 -0.02 0.00 0.00 33.50 33.28 2fed n PRO 62 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2fed n SER 63 N 3.89 0.24 -4.96 2.55 3.41 -1.26 -5.17 113.62 112.32 2fed n SER 63 Ca 0.39 -0.47 -0.22 0.00 -0.26 0.00 0.00 58.87 58.31 2fed n SER 63 Cb 0.16 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 2fed n SER 63 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2fed s LEU 64 N 0.00 4.20 0.37 1.04 1.43 -1.26 -4.97 118.68 119.49 2fed s LEU 64 Ca 0.00 0.22 0.09 0.00 -1.03 0.00 0.00 54.13 53.41 2fed s LEU 64 Cb 0.00 -3.04 0.48 0.00 0.03 0.00 0.00 46.19 43.66 2fed s LEU 64 CO 0.00 -0.15 1.12 0.11 0.23 0.00 0.00 176.35 177.66 2fed h LYS 65 N 1.05 0.00 0.00 1.70 1.57 -2.00 0.12 116.57 119.01 2fed h LYS 65 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2fed h LYS 65 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2fed h LYS 65 CO 0.61 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 179.24 2fed n ASP 66 N -2.02 0.00 -0.35 0.86 8.00 -1.26 -4.98 116.55 116.80 2fed n ASP 66 Ca -0.01 -1.00 -0.01 0.00 0.71 0.00 0.00 54.79 54.48 2fed n ASP 66 Cb 0.52 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.66 2fed n ASP 66 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2fed h LYS 67 N 0.00 -0.03 -6.46 -1.24 1.63 -1.08 -3.39 116.57 106.00 2fed h LYS 67 Ca 0.00 0.00 -0.63 0.00 -0.85 0.00 0.00 60.65 59.17 2fed h LYS 67 Cb 0.83 0.01 -0.14 0.00 -0.60 0.00 0.00 32.23 32.32 2fed h LYS 67 CO 0.00 -0.02 -0.73 -0.06 -3.45 0.00 0.00 179.45 175.19 2fed s PHE 68 N -5.98 2.63 -0.13 1.91 0.40 -1.26 -0.80 117.98 114.74 2fed s PHE 68 Ca -0.14 -0.22 -0.03 0.00 -0.60 0.00 0.00 56.93 55.93 2fed s PHE 68 Cb 0.20 -1.29 0.05 0.00 0.51 0.00 0.00 43.02 42.49 2fed s PHE 68 CO 0.72 0.50 0.06 0.42 0.70 0.00 0.00 175.22 177.62 2fed s ILE 69 N -1.67 0.08 -0.19 0.64 1.01 0.16 -4.98 121.20 116.26 2fed s ILE 69 Ca 0.24 -0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.79 2fed s ILE 69 Cb -0.09 -0.56 -0.02 0.00 0.01 0.00 0.00 42.46 41.80 2fed s ILE 69 CO 0.15 -0.10 -0.05 -0.63 0.00 0.00 0.00 174.94 174.31 2fed s ILE 70 N 2.07 3.54 0.23 2.92 1.01 -1.26 -0.86 121.20 128.85 2fed s ILE 70 Ca 0.02 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.25 2fed s ILE 70 Cb -0.15 -2.57 -0.01 0.00 0.01 0.00 0.00 42.46 39.74 2fed s ILE 70 CO -0.07 0.46 0.12 -1.54 0.00 0.00 0.00 174.94 173.91 2fed n SER 71 N 4.18 0.50 -3.63 3.58 3.41 -1.06 -5.01 113.62 115.59 2fed n SER 71 Ca -0.18 -2.31 -0.12 0.00 -0.26 0.00 0.00 58.87 56.01 2fed n SER 71 Cb 0.52 0.77 -0.07 0.00 -0.26 0.00 0.00 64.21 65.17 2fed n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fed s ARG 72 N -2.88 0.76 -0.59 4.33 1.70 -1.26 -1.41 118.95 119.61 2fed s ARG 72 Ca 0.17 0.96 -0.04 0.00 -0.47 0.00 0.00 55.73 56.35 2fed s ARG 72 Cb 0.01 0.34 0.15 0.00 -0.57 0.00 0.00 34.95 34.88 2fed s ARG 72 CO 0.12 -0.10 0.41 0.34 -1.08 0.00 0.00 175.30 174.99 2fed s ASP 73 N 0.54 5.42 0.50 -2.89 3.68 -0.69 -4.96 116.67 118.27 2fed s ASP 73 Ca -0.01 -2.59 0.22 0.00 2.13 0.00 0.00 52.55 52.30 2fed s ASP 73 Cb -0.05 -1.90 1.28 0.00 -1.45 0.00 0.00 42.92 40.80 2fed s ASP 73 CO -0.03 -0.45 1.98 0.78 0.13 0.00 0.00 175.17 177.57 2fed h ASN 74 N 7.44 0.13 0.00 -0.34 2.35 -1.94 0.97 115.58 124.20 2fed h ASN 74 Ca -0.05 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.63 2fed h ASN 74 Cb 0.99 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.33 2fed h ASN 74 CO 0.73 0.07 -0.23 0.00 -1.65 0.00 0.00 177.43 176.36 2fed h ALA 75 N 1.71 1.23 -0.00 -0.83 0.00 -1.95 -2.80 119.26 116.61 2fed h ALA 75 Ca 0.28 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2fed h ALA 75 Cb 0.93 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2fed h ALA 75 CO -0.04 0.50 -0.60 1.63 0.00 0.00 0.00 179.25 180.75 2fed n LYS 76 N -4.15 0.20 -0.90 0.00 5.02 0.15 -4.95 118.16 113.52 2fed n LYS 76 Ca -0.00 -0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 2fed n LYS 76 Cb 0.37 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 2fed n LYS 76 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2fed n ASP 77 N -1.28 -2.71 -4.85 4.39 8.00 -0.13 -4.78 116.55 115.19 2fed n ASP 77 Ca 0.06 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.22 2fed n ASP 77 Cb 0.34 -1.68 -0.06 0.00 -0.02 0.00 0.00 41.12 39.71 2fed n ASP 77 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2fed s THR 78 N -1.91 4.85 -0.01 -3.53 2.01 -1.15 -2.47 115.64 113.43 2fed s THR 78 Ca 0.00 0.77 0.02 0.00 0.31 0.00 0.00 61.69 62.79 2fed s THR 78 Cb 0.00 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 2fed s THR 78 CO 0.00 0.15 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.81 2fed s LEU 79 N -2.21 3.29 0.06 4.42 2.96 0.10 -1.71 118.68 125.59 2fed s LEU 79 Ca 0.41 -0.07 0.07 0.00 -0.22 0.00 0.00 54.13 54.32 2fed s LEU 79 Cb -0.14 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 2fed s LEU 79 CO 0.20 0.30 -0.20 -0.31 -1.32 0.00 0.00 176.35 175.02 2fed s TYR 80 N -0.99 1.71 -0.07 5.38 1.51 -0.50 0.42 117.35 124.83 2fed s TYR 80 Ca 0.17 -0.38 -0.01 0.00 -1.01 0.00 0.00 57.07 55.84 2fed s TYR 80 Cb -0.11 -1.00 0.03 0.00 -0.11 0.00 0.00 41.96 40.76 2fed s TYR 80 CO 0.07 0.11 -0.02 -1.17 -1.11 0.00 0.00 175.55 173.43 2fed s LEU 81 N -1.33 0.86 -0.20 -1.29 2.96 0.52 -2.55 118.68 117.64 2fed s LEU 81 Ca 0.06 -0.12 -0.03 0.00 -0.22 0.00 0.00 54.13 53.82 2fed s LEU 81 Cb -0.09 -0.48 -0.01 0.00 0.50 0.00 0.00 46.19 46.11 2fed s LEU 81 CO 0.02 -0.15 -0.06 -1.10 -1.32 0.00 0.00 176.35 173.75 2fed s GLN 82 N 1.64 3.41 -0.12 1.98 -0.21 -0.04 0.20 119.66 126.53 2fed s GLN 82 Ca 0.00 -0.62 -0.05 0.00 0.02 0.00 0.00 55.36 54.71 2fed s GLN 82 Cb -0.13 -2.94 -0.04 0.00 1.00 0.00 0.00 33.01 30.90 2fed s GLN 82 CO -0.04 -0.09 0.07 0.42 -2.12 0.00 0.00 175.29 173.54 2fed s ILE 83 N 1.18 4.91 -0.08 1.08 1.01 -0.77 -0.67 121.20 127.86 2fed s ILE 83 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 60.65 60.64 2fed s ILE 83 Cb -0.14 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 2fed s ILE 83 CO -0.01 0.58 0.00 -0.44 0.00 0.00 0.00 174.94 175.07 2fed s SER 84 N -0.69 5.22 -0.58 3.58 0.01 0.02 -3.07 113.70 118.20 2fed s SER 84 Ca 0.12 0.14 -0.24 0.00 1.31 0.00 0.00 55.95 57.28 2fed s SER 84 Cb -0.12 -1.46 0.04 0.00 0.21 0.00 0.00 66.02 64.69 2fed s SER 84 CO 0.02 0.38 0.64 0.29 0.41 0.00 0.00 173.24 174.98 2fed n LYS 85 N 2.12 -1.83 -2.77 12.44 4.76 0.07 -4.84 118.16 128.11 2fed n LYS 85 Ca -0.18 1.28 -0.43 0.00 -2.87 0.00 0.00 58.31 56.11 2fed n LYS 85 Cb 0.54 -2.57 -0.03 0.00 -1.84 0.00 0.00 35.03 31.12 2fed n LYS 85 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2fed s VAL 86 N -2.10 4.59 0.37 -0.18 1.01 -1.19 -4.57 120.40 118.32 2fed s VAL 86 Ca 0.24 1.36 -0.02 0.00 0.00 0.00 0.00 61.98 63.56 2fed s VAL 86 Cb -0.03 -4.33 0.08 0.00 0.00 0.00 0.00 36.38 32.09 2fed s VAL 86 CO 0.87 -0.48 0.50 -2.11 0.00 0.00 0.00 175.10 173.88 2fed n ARG 87 N 6.73 0.09 0.18 2.72 1.85 -1.26 -1.69 116.66 125.27 2fed n ARG 87 Ca 0.08 -1.21 0.07 0.00 -1.00 0.00 0.00 57.85 55.79 2fed n ARG 87 Cb 0.48 -0.38 0.14 0.00 -1.05 0.00 0.00 32.46 31.65 2fed n ARG 87 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2fed h SER 88 N -0.40 0.00 0.13 2.89 4.64 -1.96 -2.86 113.55 115.99 2fed h SER 88 Ca -0.17 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.15 2fed h SER 88 Cb 0.57 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2fed h SER 88 CO 0.16 0.31 -0.03 -0.33 -0.87 0.00 0.00 176.83 176.07 2fed h GLU 89 N 0.00 0.00 -0.03 4.77 3.07 -1.99 -0.76 114.58 119.64 2fed h GLU 89 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2fed h GLU 89 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 2fed h GLU 89 CO 0.04 0.03 0.00 -0.25 -1.40 0.00 0.00 179.01 177.43 2fed n ASP 90 N -3.56 0.47 -4.58 1.42 9.92 -1.08 -4.63 116.55 114.50 2fed n ASP 90 Ca -0.03 -1.34 -0.43 0.00 -0.53 0.00 0.00 54.79 52.46 2fed n ASP 90 Cb 0.12 -0.02 -0.03 0.00 -0.64 0.00 0.00 41.12 40.56 2fed n ASP 90 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2fed s THR 91 N -1.97 4.29 0.40 -3.53 2.01 -0.30 -4.86 115.64 111.68 2fed s THR 91 Ca 0.36 1.00 -0.15 0.00 0.31 0.00 0.00 61.69 63.22 2fed s THR 91 Cb 0.18 -4.56 0.06 0.00 0.01 0.00 0.00 72.50 68.19 2fed s THR 91 CO 0.29 -0.99 0.79 0.00 -0.69 0.00 0.00 174.62 174.03 2fed s ALA 92 N 4.24 -0.65 -0.20 7.40 0.00 -1.03 -4.49 121.76 127.04 2fed s ALA 92 Ca 0.43 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 51.46 2fed s ALA 92 Cb -0.08 0.66 -0.05 0.00 0.00 0.00 0.00 23.12 23.65 2fed s ALA 92 CO 0.29 -0.98 0.17 -1.17 0.00 0.00 0.00 175.76 174.08 2fed s LEU 93 N -3.09 4.20 -0.27 0.00 2.96 -0.00 -1.15 118.68 121.33 2fed s LEU 93 Ca 0.16 0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 54.30 2fed s LEU 93 Cb -0.05 -2.16 0.00 0.00 0.50 0.00 0.00 46.19 44.49 2fed s LEU 93 CO 0.12 0.14 0.03 -0.31 -1.32 0.00 0.00 176.35 175.02 2fed s TYR 94 N 0.50 3.09 -0.12 5.38 2.02 0.74 -0.17 117.35 128.79 2fed s TYR 94 Ca 0.10 -1.00 -0.06 0.00 -0.37 0.00 0.00 57.07 55.74 2fed s TYR 94 Cb -0.12 -2.19 -0.04 0.00 -0.40 0.00 0.00 41.96 39.21 2fed s TYR 94 CO 0.00 -0.57 0.11 0.71 -1.57 0.00 0.00 175.55 174.23 2fed s TYR 95 N 1.48 3.47 -0.19 2.71 2.02 0.99 -1.50 117.35 126.34 2fed s TYR 95 Ca 0.03 0.41 -0.09 0.00 -0.37 0.00 0.00 57.07 57.05 2fed s TYR 95 Cb -0.16 -1.94 -0.05 0.00 -0.40 0.00 0.00 41.96 39.41 2fed s TYR 95 CO 0.00 0.61 0.12 0.00 -1.57 0.00 0.00 175.55 174.71 2fed s ALA 97 N 0.22 1.64 0.05 0.00 0.00 -0.08 -1.38 121.76 122.21 2fed s ALA 97 Ca 0.08 -0.80 -0.26 0.00 0.00 0.00 0.00 51.96 50.98 2fed s ALA 97 Cb -0.11 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.47 2fed s ALA 97 CO -0.01 0.34 0.80 0.50 0.00 0.00 0.00 175.76 177.39 2fed s ARG 98 N -0.19 4.53 -0.14 0.00 3.52 -0.64 0.55 118.95 126.57 2fed s ARG 98 Ca 0.01 1.13 -0.08 0.00 -0.13 0.00 0.00 55.73 56.66 2fed s ARG 98 Cb -0.10 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.88 2fed s ARG 98 CO 0.01 0.25 0.14 -0.51 -0.81 0.00 0.00 175.30 174.38 2fed s LEU 99 N 0.01 4.33 0.00 -0.88 1.43 -0.58 -0.03 118.68 122.97 2fed s LEU 99 Ca 0.40 0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 53.87 2fed s LEU 99 Cb -0.21 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 43.96 2fed s LEU 99 CO 0.24 0.35 0.30 0.00 0.23 0.00 0.00 176.35 177.47 2fed n TYR 100 N 2.37 -1.26 -3.77 0.29 9.36 -0.89 -4.45 117.16 118.81 2fed n TYR 100 Ca -0.19 -1.02 -0.11 0.00 3.32 0.00 0.00 57.90 59.90 2fed n TYR 100 Cb 0.54 0.35 -0.07 0.00 -0.63 0.00 0.00 39.34 39.52 2fed n TYR 100 CO 0.00 0.00 0.00 1.52 0.22 0.00 0.00 176.86 178.60 2fed s TYR 101 N -4.82 -0.07 0.00 2.98 -0.85 -1.26 0.13 117.35 113.46 2fed s TYR 101 Ca 0.11 -0.11 0.00 0.00 -0.52 0.00 0.00 57.07 56.56 2fed s TYR 101 Cb -0.01 0.07 0.00 0.00 0.38 0.00 0.00 41.96 42.40 2fed s TYR 101 CO 0.08 -0.50 0.00 0.41 -1.52 0.00 0.00 175.55 174.02 2fed n GLY 102 N 0.55 0.20 0.15 5.49 0.00 -1.26 -4.76 105.19 105.56 2fed n GLY 102 Ca -0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.96 2fed n GLY 102 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2fed n TYR 103 N 0.00 0.83 0.00 1.61 4.01 -1.26 -4.80 117.16 117.55 2fed n TYR 103 Ca 0.00 0.36 0.00 0.00 -0.16 0.00 0.00 57.90 58.10 2fed n TYR 103 Cb 0.00 -1.08 0.00 0.00 -0.31 0.00 0.00 39.34 37.95 2fed n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2fed n GLY 104 N -0.48 0.71 3.59 2.72 0.00 -1.26 -5.10 105.19 105.36 2fed n GLY 104 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2fed n GLY 104 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fed s TYR 105 N -0.24 3.16 0.53 1.61 1.51 -1.26 -4.97 117.35 117.69 2fed s TYR 105 Ca 0.00 0.51 -0.20 0.00 -1.01 0.00 0.00 57.07 56.37 2fed s TYR 105 Cb 0.00 -3.18 -0.07 0.00 -0.11 0.00 0.00 41.96 38.61 2fed s TYR 105 CO 0.00 -0.61 1.10 -1.58 -1.11 0.00 0.00 175.55 173.35 2fed s TRP 106 N 2.81 2.77 0.32 2.71 0.52 -1.26 -4.11 118.94 122.70 2fed s TRP 106 Ca 0.27 1.55 0.03 0.00 0.02 0.00 0.00 56.10 57.98 2fed s TRP 106 Cb -0.14 -3.22 -0.04 0.00 -1.15 0.00 0.00 33.47 28.92 2fed s TRP 106 CO 0.14 -1.35 0.15 1.52 0.02 0.00 0.00 176.95 177.43 2fed s TYR 107 N -1.84 1.65 -0.54 -1.98 -0.85 0.35 -4.96 117.35 109.18 2fed s TYR 107 Ca 0.71 -1.34 -0.16 0.00 -0.52 0.00 0.00 57.07 55.76 2fed s TYR 107 Cb -0.22 -0.93 0.13 0.00 0.38 0.00 0.00 41.96 41.33 2fed s TYR 107 CO 0.25 -0.46 0.51 -0.06 -1.52 0.00 0.00 175.55 174.26 2fed s PHE 108 N -3.53 3.24 -0.00 -3.49 0.40 -1.26 -2.10 117.98 111.25 2fed s PHE 108 Ca 0.34 -1.28 -0.00 0.00 -0.60 0.00 0.00 56.93 55.39 2fed s PHE 108 Cb 0.05 -3.81 -0.00 0.00 0.51 0.00 0.00 43.02 39.77 2fed s PHE 108 CO 0.17 -1.03 0.45 0.22 0.70 0.00 0.00 175.22 175.73 2fed h ASP 109 N 8.90 -0.01 -3.25 1.36 3.58 -0.77 -3.44 116.42 122.80 2fed h ASP 109 Ca -0.30 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 56.48 2fed h ASP 109 Cb 1.10 0.00 -0.32 0.00 1.72 0.00 0.00 39.33 41.83 2fed h ASP 109 CO 1.04 -0.00 -0.83 -0.69 -2.88 0.00 0.00 179.24 175.88 2fed s VAL 110 N -1.90 2.44 0.04 2.25 1.01 -1.20 -4.98 120.40 118.06 2fed s VAL 110 Ca -0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 2fed s VAL 110 Cb 0.00 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 2fed s VAL 110 CO 0.00 0.53 0.26 0.26 0.00 0.00 0.00 175.10 176.15 2fed s TRP 111 N 0.83 3.54 0.12 5.22 0.52 -1.26 -1.63 118.94 126.28 2fed s TRP 111 Ca -0.06 0.47 -0.02 0.00 0.02 0.00 0.00 56.10 56.51 2fed s TRP 111 Cb -0.15 -1.92 0.03 0.00 -1.15 0.00 0.00 33.47 30.28 2fed s TRP 111 CO -0.01 0.59 0.12 0.41 0.02 0.00 0.00 176.95 178.07 2fed n GLY 112 N 0.76 -2.05 0.10 0.98 0.00 -0.48 -4.78 105.19 99.71 2fed n GLY 112 Ca -0.09 -1.52 0.04 0.00 0.00 0.00 0.00 46.02 44.45 2fed n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fed n ALA 113 N -3.16 2.17 0.00 4.61 0.00 -1.24 -4.91 120.51 117.99 2fed n ALA 113 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2fed n ALA 113 Cb 0.06 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2fed n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fed n GLY 114 N 1.32 1.95 3.42 0.00 0.00 -1.26 -5.01 105.19 105.61 2fed n GLY 114 Ca -0.07 -1.68 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 2fed n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fed s THR 115 N -1.86 2.62 -0.16 2.61 2.01 -0.56 -4.81 115.64 115.49 2fed s THR 115 Ca 0.00 -1.06 -0.12 0.00 0.31 0.00 0.00 61.69 60.82 2fed s THR 115 Cb 0.00 -2.03 -0.05 0.00 0.01 0.00 0.00 72.50 70.43 2fed s THR 115 CO 0.00 0.47 0.24 -0.89 -0.69 0.00 0.00 174.62 173.75 2fed s THR 116 N -0.78 5.34 -0.20 -0.82 2.01 -1.26 -0.18 115.64 119.74 2fed s THR 116 Ca 0.12 0.43 -0.02 0.00 0.31 0.00 0.00 61.69 62.54 2fed s THR 116 Cb -0.10 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 68.84 2fed s THR 116 CO 0.02 0.44 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.59 2fed s VAL 117 N 0.20 2.86 -0.25 3.82 1.01 -0.30 -1.13 120.40 126.61 2fed s VAL 117 Ca 0.14 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 2fed s VAL 117 Cb -0.13 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 34.01 2fed s VAL 117 CO 0.03 0.47 -0.05 -0.89 0.00 0.00 0.00 175.10 174.66 2fed s THR 118 N 1.34 2.97 -0.48 3.92 2.01 0.19 -2.46 115.64 123.13 2fed s THR 118 Ca 0.04 -0.99 -0.20 0.00 0.31 0.00 0.00 61.69 60.85 2fed s THR 118 Cb -0.14 -2.51 0.04 0.00 0.01 0.00 0.00 72.50 69.90 2fed s THR 118 CO -0.06 0.19 0.64 -0.69 -0.69 0.00 0.00 174.62 174.01 2fed s VAL 119 N 1.34 4.84 0.06 3.82 1.01 -1.26 -2.50 120.40 127.71 2fed s VAL 119 Ca 0.00 -0.19 -0.25 0.00 0.00 0.00 0.00 61.98 61.54 2fed s VAL 119 Cb -0.17 -4.26 0.06 0.00 0.00 0.00 0.00 36.38 32.02 2fed s VAL 119 CO -0.04 -0.72 0.58 -0.55 0.00 0.00 0.00 175.10 174.38 2fed s SER 120 N 2.36 -0.53 0.26 3.32 0.15 -1.04 -4.90 113.70 113.33 2fed s SER 120 Ca 0.19 0.24 0.02 0.00 0.70 0.00 0.00 55.95 57.10 2fed s SER 120 Cb -0.17 0.54 0.34 0.00 -1.71 0.00 0.00 66.02 65.02 2fed s SER 120 CO 0.15 -0.77 1.66 0.28 1.20 0.00 0.00 173.24 175.77 2fed h SER 121 N 2.59 0.47 -2.49 5.45 0.02 -1.95 -3.39 113.55 114.26 2fed h SER 121 Ca -0.31 -0.19 -0.28 0.00 -0.84 0.00 0.00 61.79 60.17 2fed h SER 121 Cb 1.23 -0.13 0.17 0.00 0.14 0.00 0.00 62.40 63.80 2fed h SER 121 CO 0.40 0.79 -0.14 0.00 -1.14 0.00 0.00 176.83 176.74 2fed n ALA 122 N -2.49 -4.12 -2.64 3.77 0.00 -1.26 -4.99 120.51 108.78 2fed n ALA 122 Ca -0.01 -1.20 -0.25 0.00 0.00 0.00 0.00 53.44 51.98 2fed n ALA 122 Cb 0.47 -0.11 -0.08 0.00 0.00 0.00 0.00 19.45 19.73 2fed n ALA 122 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2fed s LYS 123 N -4.43 2.31 -0.30 0.00 1.02 -1.26 -5.03 119.74 112.05 2fed s LYS 123 Ca 0.52 -1.29 -0.29 0.00 0.02 0.00 0.00 55.97 54.94 2fed s LYS 123 Cb -0.09 -2.23 -0.00 0.00 -0.52 0.00 0.00 37.83 34.98 2fed s LYS 123 CO 0.44 0.40 1.42 0.99 -0.92 0.00 0.00 175.35 177.69 2fed s THR 124 N -2.03 3.95 -0.25 2.17 2.01 -1.26 -4.62 115.64 115.62 2fed s THR 124 Ca 0.29 1.06 0.01 0.00 0.31 0.00 0.00 61.69 63.36 2fed s THR 124 Cb -0.08 -4.03 0.04 0.00 0.01 0.00 0.00 72.50 68.45 2fed s THR 124 CO 0.19 -0.48 -0.11 -0.89 -0.69 0.00 0.00 174.62 172.64 2fed s THR 125 N 4.88 2.37 0.33 -0.82 2.01 -0.03 -4.92 115.64 119.46 2fed s THR 125 Ca 0.62 -1.35 -0.28 0.00 0.31 0.00 0.00 61.69 60.99 2fed s THR 125 Cb -0.18 -2.27 -0.12 0.00 0.01 0.00 0.00 72.50 69.93 2fed s THR 125 CO 0.27 0.12 1.34 -0.81 -0.69 0.00 0.00 174.62 174.85 2fed n PRO 126 N 4.54 2.21 -1.27 4.92 -0.04 -1.26 -1.38 135.00 142.71 2fed n PRO 126 Ca -0.16 0.78 -0.30 0.00 -0.04 0.00 0.00 63.50 63.78 2fed n PRO 126 Cb 0.45 -2.39 0.13 0.00 -0.04 0.00 0.00 33.50 31.65 2fed n PRO 126 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2fed s PRO 127 N -1.66 1.33 -0.08 0.54 0.04 -1.26 -4.52 135.00 129.39 2fed s PRO 127 Ca 0.57 0.75 0.01 0.00 0.04 0.00 0.00 61.00 62.37 2fed s PRO 127 Cb -0.56 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 2fed s PRO 127 CO 0.60 -2.17 -0.10 -1.12 0.04 0.00 0.00 177.00 174.25 2fed s SER 128 N -3.53 4.35 -0.17 6.66 0.01 0.12 -4.94 113.70 116.20 2fed s SER 128 Ca 0.63 -0.13 0.01 0.00 1.31 0.00 0.00 55.95 57.77 2fed s SER 128 Cb -0.17 -1.16 0.02 0.00 0.21 0.00 0.00 66.02 64.92 2fed s SER 128 CO 0.56 0.32 -0.20 -0.69 0.41 0.00 0.00 173.24 173.64 2fed s VAL 129 N -0.53 2.01 -0.14 3.43 1.01 -1.26 -1.59 120.40 123.33 2fed s VAL 129 Ca 0.08 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.17 2fed s VAL 129 Cb -0.12 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.46 2fed s VAL 129 CO 0.02 0.53 -0.22 -0.31 0.00 0.00 0.00 175.10 175.12 2fed s TYR 130 N 1.24 2.64 0.31 5.22 2.02 -0.22 -4.95 117.35 123.61 2fed s TYR 130 Ca 0.03 -1.31 -0.29 0.00 -0.37 0.00 0.00 57.07 55.13 2fed s TYR 130 Cb -0.13 -1.79 -0.10 0.00 -0.40 0.00 0.00 41.96 39.53 2fed s TYR 130 CO -0.11 -0.60 1.18 -1.25 -1.57 0.00 0.00 175.55 173.20 2fed s PRO 131 N 0.78 4.50 -0.43 -1.71 0.04 -1.26 -0.22 135.00 136.70 2fed s PRO 131 Ca -0.08 1.96 0.03 0.00 0.04 0.00 0.00 61.00 62.95 2fed s PRO 131 Cb -0.16 -3.12 0.12 0.00 0.04 0.00 0.00 34.50 31.39 2fed s PRO 131 CO -0.01 0.03 0.19 -0.51 0.04 0.00 0.00 177.00 176.74 2fed s LEU 132 N -1.64 3.68 0.49 -3.56 1.43 -0.32 -4.90 118.68 113.86 2fed s LEU 132 Ca 0.47 -2.54 -0.02 0.00 -1.03 0.00 0.00 54.13 51.00 2fed s LEU 132 Cb -0.35 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 2fed s LEU 132 CO 0.45 -0.30 0.75 0.00 0.23 0.00 0.00 176.35 177.49 2fed s ALA 133 N 0.39 3.56 0.82 4.21 0.00 -1.26 -2.65 121.76 126.83 2fed s ALA 133 Ca 0.15 -0.86 -0.12 0.00 0.00 0.00 0.00 51.96 51.13 2fed s ALA 133 Cb -0.23 -2.35 0.09 0.00 0.00 0.00 0.00 23.12 20.63 2fed s ALA 133 CO -0.05 -0.49 1.14 -2.14 0.00 0.00 0.00 175.76 174.22 2fed s PRO 134 N -4.71 1.86 0.09 0.00 0.02 -1.26 -4.96 135.00 126.04 2fed s PRO 134 Ca 0.49 0.32 -0.32 0.00 0.02 0.00 0.00 61.00 61.52 2fed s PRO 134 Cb -0.10 -1.92 -0.11 0.00 0.02 0.00 0.00 34.50 32.39 2fed s PRO 134 CO 0.41 -1.71 1.84 0.41 -0.33 0.00 0.00 177.00 177.62 2fed n GLY 135 N -2.68 1.62 0.13 0.52 0.00 -1.26 -4.71 105.19 98.82 2fed n GLY 135 Ca 0.07 0.74 -0.01 0.00 0.00 0.00 0.00 46.02 46.83 2fed n GLY 135 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2fed n SER 136 N 5.76 -0.24 -4.48 1.61 7.64 -1.26 -2.29 113.62 120.36 2fed n SER 136 Ca 0.19 0.61 -0.43 0.00 1.01 0.00 0.00 58.87 60.25 2fed n SER 136 Cb 0.36 -0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.39 2fed n SER 136 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fed s ALA 137 N -5.32 3.15 -0.04 -0.43 0.00 -1.26 -5.01 121.76 112.85 2fed s ALA 137 Ca -0.05 -2.38 0.06 0.00 0.00 0.00 0.00 51.96 49.59 2fed s ALA 137 Cb 0.07 -4.11 -0.01 0.00 0.00 0.00 0.00 23.12 19.07 2fed s ALA 137 CO 0.25 -3.07 -0.22 0.00 0.00 0.00 0.00 175.76 172.72 2fed s ALA 138 N 3.61 1.89 0.00 0.00 0.00 -0.97 -5.03 121.76 121.25 2fed s ALA 138 Ca 0.33 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 51.35 2fed s ALA 138 Cb -0.07 -0.57 -0.12 0.00 0.00 0.00 0.00 23.12 22.35 2fed s ALA 138 CO -0.04 0.38 1.94 0.00 0.00 0.00 0.00 175.76 178.04 2fed n ALA 139 N 2.92 3.53 -1.53 0.00 0.00 -1.26 -4.87 120.51 119.30 2fed n ALA 139 Ca -0.17 -0.83 -0.21 0.00 0.00 0.00 0.00 53.44 52.23 2fed n ALA 139 Cb 0.52 -2.24 -0.15 0.00 0.00 0.00 0.00 19.45 17.59 2fed n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fed n ALA 140 N 2.70 0.72 -1.05 0.00 0.00 -1.26 -4.88 120.51 116.74 2fed n ALA 140 Ca 0.19 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.62 2fed n ALA 140 Cb 0.43 -2.80 0.00 0.00 0.00 0.00 0.00 19.45 17.08 2fed n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fed n ALA 141 N 11.96 0.00 0.09 0.00 0.00 -1.26 -4.88 120.51 126.41 2fed n ALA 141 Ca 0.57 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.94 2fed n ALA 141 Cb 0.28 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.76 2fed n ALA 141 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2fed h SER 142 N 0.00 0.24 -3.29 0.00 0.02 -1.97 -3.41 113.55 105.15 2fed h SER 142 Ca 0.00 -0.18 -0.56 0.00 -0.84 0.00 0.00 61.79 60.21 2fed h SER 142 Cb 0.00 -0.07 -0.35 0.00 0.14 0.00 0.00 62.40 62.12 2fed h SER 142 CO 0.00 0.94 -0.83 -0.04 -1.14 0.00 0.00 176.83 175.76 2fed s MET 143 N -3.36 2.03 -0.18 3.45 1.00 -1.26 -0.94 119.30 120.04 2fed s MET 143 Ca -0.03 -0.49 -0.05 0.00 0.00 0.00 0.00 55.69 55.11 2fed s MET 143 Cb 0.11 -1.75 -0.03 0.00 0.00 0.00 0.00 34.83 33.16 2fed s MET 143 CO 0.82 -0.06 0.01 0.54 0.00 0.00 0.00 175.02 176.32 2fed s VAL 144 N 0.99 4.24 -0.21 -6.03 0.11 0.13 -4.76 120.40 114.88 2fed s VAL 144 Ca -0.07 -0.23 -0.07 0.00 -2.93 0.00 0.00 61.98 58.69 2fed s VAL 144 Cb -0.15 -2.90 -0.03 0.00 -1.53 0.00 0.00 36.38 31.77 2fed s VAL 144 CO -0.01 0.46 0.04 -0.89 -3.33 0.00 0.00 175.10 171.38 2fed s THR 145 N 0.54 4.39 0.31 5.04 2.01 -1.26 -0.98 115.64 125.69 2fed s THR 145 Ca -0.00 -0.16 0.05 0.00 0.31 0.00 0.00 61.69 61.89 2fed s THR 145 Cb -0.14 -3.00 -0.06 0.00 0.01 0.00 0.00 72.50 69.31 2fed s THR 145 CO 0.02 0.41 0.01 -0.76 -0.69 0.00 0.00 174.62 173.61 2fed s LEU 146 N 0.90 2.35 0.35 4.42 1.43 0.03 -4.73 118.68 123.43 2fed s LEU 146 Ca 0.03 -1.30 -0.18 0.00 -1.03 0.00 0.00 54.13 51.65 2fed s LEU 146 Cb -0.14 -0.51 0.04 0.00 0.03 0.00 0.00 46.19 45.61 2fed s LEU 146 CO 0.02 -0.50 0.76 -0.83 0.23 0.00 0.00 176.35 176.04 2fed s GLY 147 N -3.48 0.21 0.03 -3.19 0.00 -1.09 -0.54 107.32 99.26 2fed s GLY 147 Ca 0.33 -0.59 0.02 0.00 0.00 0.00 0.00 44.72 44.48 2fed s GLY 147 CO 0.14 -0.24 -0.07 0.00 0.00 0.00 0.00 173.10 172.93 2fed s LEU 149 N -1.05 4.15 -0.24 0.00 2.96 0.69 -2.56 118.68 122.64 2fed s LEU 149 Ca -0.05 0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 54.23 2fed s LEU 149 Cb -0.07 -2.36 0.03 0.00 0.50 0.00 0.00 46.19 44.29 2fed s LEU 149 CO 0.00 -0.01 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.24 2fed s VAL 150 N 1.14 2.69 0.09 1.68 1.01 0.65 -1.05 120.40 126.61 2fed s VAL 150 Ca 0.15 -1.04 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 2fed s VAL 150 Cb -0.14 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.91 2fed s VAL 150 CO 0.06 0.25 0.28 -1.59 0.00 0.00 0.00 175.10 174.10 2fed s LYS 151 N 1.30 0.91 0.00 2.72 -2.85 -0.62 -0.72 119.74 120.48 2fed s LYS 151 Ca 0.00 -0.79 0.00 0.00 -1.00 0.00 0.00 55.97 54.19 2fed s LYS 151 Cb -0.16 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.00 2fed s LYS 151 CO -0.06 -0.32 0.00 0.41 0.10 0.00 0.00 175.35 175.48 2fed n GLY 152 N 0.00 0.61 3.57 0.59 0.00 -1.11 0.12 105.19 108.97 2fed n GLY 152 Ca -0.16 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.82 2fed n GLY 152 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2fed s TYR 153 N -2.03 2.67 -0.17 1.61 -0.85 -1.23 -4.30 117.35 113.05 2fed s TYR 153 Ca 0.00 -0.20 -0.15 0.00 -0.52 0.00 0.00 57.07 56.20 2fed s TYR 153 Cb 0.00 -1.33 0.05 0.00 0.38 0.00 0.00 41.96 41.05 2fed s TYR 153 CO 0.00 0.48 0.45 0.12 -1.52 0.00 0.00 175.55 175.08 2fed s PHE 154 N -1.55 -0.51 0.00 -3.49 5.36 -0.48 -1.82 117.98 115.48 2fed s PHE 154 Ca 0.24 1.22 0.00 0.00 -0.96 0.00 0.00 56.93 57.43 2fed s PHE 154 Cb -0.09 0.18 0.00 0.00 -0.34 0.00 0.00 43.02 42.77 2fed s PHE 154 CO 0.15 -0.25 0.00 -0.35 -1.46 0.00 0.00 175.22 173.31 2fed n PRO 155 N 3.00 3.42 -3.73 10.12 -0.04 -1.26 -0.85 135.00 145.66 2fed n PRO 155 Ca -0.14 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.05 2fed n PRO 155 Cb 0.57 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.00 2fed n PRO 155 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2fed s GLU 156 N 4.08 3.50 0.00 0.54 0.41 -1.26 -4.79 118.70 121.18 2fed s GLU 156 Ca 0.00 -0.41 0.00 0.00 -0.41 0.00 0.00 54.97 54.15 2fed s GLU 156 Cb 0.00 -2.85 0.00 0.00 -1.78 0.00 0.00 34.13 29.50 2fed s GLU 156 CO 0.00 0.40 0.00 -0.35 -0.49 0.00 0.00 175.26 174.82 2fed n PRO 157 N -0.79 2.35 -4.31 0.39 -0.04 -1.26 -4.82 135.00 126.51 2fed n PRO 157 Ca -0.05 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.24 2fed n PRO 157 Cb 0.54 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.90 2fed n PRO 157 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2fed s VAL 158 N 0.89 0.98 -0.06 0.52 -7.23 -1.26 -4.42 120.40 109.81 2fed s VAL 158 Ca 0.00 -2.03 0.04 0.00 -1.81 0.00 0.00 61.98 58.19 2fed s VAL 158 Cb 0.00 -2.30 -0.00 0.00 0.56 0.00 0.00 36.38 34.64 2fed s VAL 158 CO 0.00 -0.36 -0.20 0.42 -0.31 0.00 0.00 175.10 174.65 2fed s THR 159 N -3.46 1.69 -0.18 5.32 -4.23 -0.55 -4.99 115.64 109.25 2fed s THR 159 Ca 0.27 -0.84 0.01 0.00 -1.18 0.00 0.00 61.69 59.95 2fed s THR 159 Cb 0.06 -1.46 0.02 0.00 1.34 0.00 0.00 72.50 72.46 2fed s THR 159 CO 0.08 0.48 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.77 2fed s VAL 160 N 0.13 1.91 0.24 2.29 1.01 -1.26 -1.75 120.40 122.97 2fed s VAL 160 Ca -0.08 -0.91 0.11 0.00 0.00 0.00 0.00 61.98 61.09 2fed s VAL 160 Cb -0.14 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 2fed s VAL 160 CO 0.04 0.46 -0.13 0.42 0.00 0.00 0.00 175.10 175.89 2fed s THR 161 N 1.34 2.88 -0.11 3.92 -4.23 -1.05 -4.98 115.64 113.41 2fed s THR 161 Ca 0.04 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 58.51 2fed s THR 161 Cb -0.14 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 2fed s THR 161 CO -0.12 -0.28 -0.13 0.26 -0.54 0.00 0.00 174.62 173.81 2fed s TRP 162 N -2.14 2.79 -1.08 3.99 0.52 -1.26 -0.36 118.94 121.41 2fed s TRP 162 Ca 0.28 -0.51 -0.20 0.00 0.02 0.00 0.00 56.10 55.68 2fed s TRP 162 Cb -0.07 -1.79 0.01 0.00 -1.15 0.00 0.00 33.47 30.47 2fed s TRP 162 CO 0.16 -0.11 0.72 0.09 0.02 0.00 0.00 176.95 177.83 2fed n ASN 163 N 3.22 -5.04 -2.19 2.95 3.02 0.24 -1.08 115.26 116.37 2fed n ASN 163 Ca -0.18 -1.04 -0.10 0.00 -0.03 0.00 0.00 54.58 53.24 2fed n ASN 163 Cb 0.53 -2.63 -0.01 0.00 -0.61 0.00 0.00 39.78 37.05 2fed n ASN 163 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2fed n SER 164 N -2.43 -3.13 0.00 6.41 7.64 -1.26 -1.14 113.62 119.72 2fed n SER 164 Ca -0.13 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2fed n SER 164 Cb 0.59 -2.76 0.00 0.00 -1.01 0.00 0.00 64.21 61.03 2fed n SER 164 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fed n GLY 165 N -0.61 1.66 0.23 0.23 0.00 -0.24 -4.85 105.19 101.60 2fed n GLY 165 Ca -0.11 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.07 2fed n GLY 165 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2fed h SER 166 N 0.00 0.00 -3.51 1.61 4.64 -1.12 -3.37 113.55 111.80 2fed h SER 166 Ca 0.00 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.60 2fed h SER 166 Cb 0.00 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 61.85 2fed h SER 166 CO 0.00 0.00 -0.47 -0.22 -0.87 0.00 0.00 176.83 175.27 2fed s LEU 167 N -5.64 4.98 0.05 5.97 2.96 -0.91 -4.94 118.68 121.15 2fed s LEU 167 Ca 0.02 -1.09 -0.00 0.00 -0.22 0.00 0.00 54.13 52.84 2fed s LEU 167 Cb 0.09 -2.07 -0.00 0.00 0.50 0.00 0.00 46.19 44.71 2fed s LEU 167 CO 0.49 -0.45 -0.01 0.00 -1.32 0.00 0.00 176.35 175.06 2fed n ALA 168 N 5.05 2.97 -1.90 5.97 0.00 -1.26 -3.98 120.51 127.35 2fed n ALA 168 Ca -0.11 -0.02 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 2fed n ALA 168 Cb 0.45 0.36 -0.03 0.00 0.00 0.00 0.00 19.45 20.24 2fed n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fed s ALA 169 N -2.01 3.53 0.00 0.00 0.00 -1.26 -3.47 121.76 118.55 2fed s ALA 169 Ca -0.01 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.14 2fed s ALA 169 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2fed s ALA 169 CO 0.01 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.60 2fed n GLY 170 N 1.81 0.89 3.09 0.00 0.00 -1.26 -4.77 105.19 104.95 2fed n GLY 170 Ca 0.04 -0.61 -0.25 0.00 0.00 0.00 0.00 46.02 45.20 2fed n GLY 170 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fed s VAL 171 N -2.66 1.29 -0.11 1.61 1.01 -1.23 -0.61 120.40 119.70 2fed s VAL 171 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.37 2fed s VAL 171 Cb 0.00 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.27 2fed s VAL 171 CO 0.00 0.38 -0.10 -1.00 0.00 0.00 0.00 175.10 174.38 2fed s HIS 172 N 0.24 1.59 -0.29 5.22 3.76 -1.17 -4.96 115.29 119.68 2fed s HIS 172 Ca -0.07 -0.76 -0.04 0.00 -0.15 0.00 0.00 55.06 54.03 2fed s HIS 172 Cb -0.13 -1.25 0.03 0.00 1.11 0.00 0.00 32.58 32.34 2fed s HIS 172 CO 0.03 -0.48 0.03 0.99 -0.85 0.00 0.00 174.74 174.46 2fed s THR 173 N 1.39 3.43 0.23 1.30 2.01 -1.26 -0.62 115.64 122.12 2fed s THR 173 Ca -0.00 -1.02 -0.27 0.00 0.31 0.00 0.00 61.69 60.71 2fed s THR 173 Cb -0.13 -2.84 -0.09 0.00 0.01 0.00 0.00 72.50 69.45 2fed s THR 173 CO -0.05 0.02 0.86 -0.36 -0.69 0.00 0.00 174.62 174.40 2fed s PHE 174 N 1.38 3.88 0.35 4.92 0.08 -0.86 -5.00 117.98 122.74 2fed s PHE 174 Ca -0.01 1.75 -0.28 0.00 0.12 0.00 0.00 56.93 58.51 2fed s PHE 174 Cb -0.18 -2.86 -0.11 0.00 -0.57 0.00 0.00 43.02 39.29 2fed s PHE 174 CO -0.00 0.43 1.49 -2.30 -0.10 0.00 0.00 175.22 174.73 2fed n PRO 175 N 1.30 2.61 -1.76 0.24 -0.02 -1.26 -4.32 135.00 131.80 2fed n PRO 175 Ca -0.03 0.92 -0.39 0.00 -2.02 0.00 0.00 63.50 61.99 2fed n PRO 175 Cb 0.48 -2.64 0.04 0.00 -0.02 0.00 0.00 33.50 31.36 2fed n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fed s ALA 176 N -0.87 2.87 0.01 3.55 0.00 -1.26 -4.82 121.76 121.24 2fed s ALA 176 Ca 0.56 1.38 0.07 0.00 0.00 0.00 0.00 51.96 53.96 2fed s ALA 176 Cb -0.49 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.02 2fed s ALA 176 CO 0.60 -1.39 -0.21 0.14 0.00 0.00 0.00 175.76 174.91 2fed s VAL 177 N -1.28 2.57 -0.19 0.00 -7.23 -0.29 -4.88 120.40 109.10 2fed s VAL 177 Ca 0.71 -1.12 -0.09 0.00 -1.81 0.00 0.00 61.98 59.66 2fed s VAL 177 Cb -0.42 -2.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 2fed s VAL 177 CO 0.50 0.44 0.11 -0.22 -0.31 0.00 0.00 175.10 175.62 2fed s LEU 178 N -1.10 4.11 -0.19 1.32 2.96 -1.26 -1.18 118.68 123.33 2fed s LEU 178 Ca 0.13 0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 54.20 2fed s LEU 178 Cb -0.10 -2.05 0.09 0.00 0.50 0.00 0.00 46.19 44.63 2fed s LEU 178 CO 0.02 0.20 0.25 -1.58 -1.32 0.00 0.00 176.35 173.92 2fed s GLN 179 N 0.24 0.20 -1.08 1.98 0.74 0.11 -4.93 119.66 116.92 2fed s GLN 179 Ca 0.07 0.35 -0.04 0.00 0.05 0.00 0.00 55.36 55.79 2fed s GLN 179 Cb -0.11 -0.89 -0.05 0.00 1.10 0.00 0.00 33.01 33.05 2fed s GLN 179 CO -0.01 -0.59 0.93 0.00 -0.55 0.00 0.00 175.29 175.08 2fed n ALA 180 N 5.33 -2.31 -1.88 1.58 0.00 -1.26 -3.31 120.51 118.65 2fed n ALA 180 Ca -0.05 0.08 -0.19 0.00 0.00 0.00 0.00 53.44 53.27 2fed n ALA 180 Cb 0.50 -4.68 -0.05 0.00 0.00 0.00 0.00 19.45 15.21 2fed n ALA 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fed n ALA 181 N -3.49 -0.43 -2.82 0.00 0.00 -1.26 -4.99 120.51 107.52 2fed n ALA 181 Ca -0.14 0.25 -0.15 0.00 0.00 0.00 0.00 53.44 53.41 2fed n ALA 181 Cb 0.63 -1.98 -0.14 0.00 0.00 0.00 0.00 19.45 17.96 2fed n ALA 181 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2fed s LEU 182 N -5.08 1.98 0.23 0.00 1.43 -1.21 -4.86 118.68 111.17 2fed s LEU 182 Ca 0.00 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 2fed s LEU 182 Cb 0.00 -0.19 -0.04 0.00 0.03 0.00 0.00 46.19 45.98 2fed s LEU 182 CO 0.00 0.04 0.43 -0.31 0.23 0.00 0.00 176.35 176.74 2fed s TYR 183 N -0.06 3.48 -0.17 0.29 1.51 -0.76 -0.71 117.35 120.94 2fed s TYR 183 Ca 0.01 0.38 -0.11 0.00 -1.01 0.00 0.00 57.07 56.34 2fed s TYR 183 Cb -0.02 -1.89 0.06 0.00 -0.11 0.00 0.00 41.96 40.00 2fed s TYR 183 CO -0.00 0.32 0.43 0.99 -1.11 0.00 0.00 175.55 176.18 2fed s THR 184 N -1.95 -0.02 0.23 -0.71 2.01 -0.33 -2.75 115.64 112.12 2fed s THR 184 Ca 0.39 0.07 -0.08 0.00 0.31 0.00 0.00 61.69 62.38 2fed s THR 184 Cb -0.11 -0.62 -0.02 0.00 0.01 0.00 0.00 72.50 71.76 2fed s THR 184 CO 0.30 0.03 0.35 -1.48 -0.69 0.00 0.00 174.62 173.12 2fed s LEU 185 N 1.13 0.67 0.00 4.42 0.05 0.10 -1.14 118.68 123.91 2fed s LEU 185 Ca -0.07 -1.13 -0.12 0.00 0.05 0.00 0.00 54.13 52.85 2fed s LEU 185 Cb -0.07 1.23 0.02 0.00 -2.05 0.00 0.00 46.19 45.32 2fed s LEU 185 CO -0.10 -1.04 0.26 -0.94 -0.55 0.00 0.00 176.35 173.98 2fed s SER 186 N -3.08 -0.11 0.15 1.48 1.04 -1.26 -0.25 113.70 111.67 2fed s SER 186 Ca 0.29 -0.06 0.09 0.00 0.48 0.00 0.00 55.95 56.75 2fed s SER 186 Cb 0.02 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 2fed s SER 186 CO 0.11 -0.46 -0.13 -0.55 0.98 0.00 0.00 173.24 173.18 2fed s SER 187 N -1.51 4.09 -0.36 7.02 0.15 -1.06 -2.03 113.70 120.01 2fed s SER 187 Ca -0.12 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 55.96 2fed s SER 187 Cb -0.05 -0.64 0.13 0.00 -1.71 0.00 0.00 66.02 63.74 2fed s SER 187 CO 0.02 0.14 0.19 -0.94 1.20 0.00 0.00 173.24 173.85 2fed s SER 188 N -2.52 3.45 0.32 5.45 1.04 0.21 -1.97 113.70 119.67 2fed s SER 188 Ca 0.22 -2.12 -0.27 0.00 0.48 0.00 0.00 55.95 54.27 2fed s SER 188 Cb -0.10 -0.68 -0.10 0.00 0.10 0.00 0.00 66.02 65.25 2fed s SER 188 CO 0.13 -0.33 0.98 0.54 0.98 0.00 0.00 173.24 175.54 2fed s VAL 189 N 1.07 4.00 -0.14 5.02 0.11 0.30 -3.07 120.40 127.69 2fed s VAL 189 Ca 0.15 1.74 -0.00 0.00 -2.93 0.00 0.00 61.98 60.94 2fed s VAL 189 Cb -0.22 -4.00 0.03 0.00 -1.53 0.00 0.00 36.38 30.67 2fed s VAL 189 CO -0.08 0.21 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.93 2fed s THR 190 N -1.49 1.15 0.29 5.04 2.01 0.22 -0.79 115.64 122.08 2fed s THR 190 Ca 0.49 -0.50 0.05 0.00 0.31 0.00 0.00 61.69 62.04 2fed s THR 190 Cb -0.22 -1.22 -0.06 0.00 0.01 0.00 0.00 72.50 71.00 2fed s THR 190 CO 0.28 0.28 0.01 0.68 -0.69 0.00 0.00 174.62 175.18 2fed s VAL 191 N 1.64 1.29 0.28 3.82 -7.23 -0.15 -4.74 120.40 115.32 2fed s VAL 191 Ca 0.03 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 57.86 2fed s VAL 191 Cb -0.14 -2.61 -0.13 0.00 0.56 0.00 0.00 36.38 34.07 2fed s VAL 191 CO -0.08 -0.15 1.42 -2.65 -0.31 0.00 0.00 175.10 173.33 2fed n PRO 192 N -0.61 2.23 -0.03 4.82 -0.02 -1.26 0.19 135.00 140.33 2fed n PRO 192 Ca -0.04 0.79 0.10 0.00 -2.02 0.00 0.00 63.50 62.33 2fed n PRO 192 Cb 0.65 -2.46 0.50 0.00 -0.02 0.00 0.00 33.50 32.17 2fed n PRO 192 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2fed h SER 193 N 3.90 0.36 -0.31 2.55 0.87 -1.27 -2.15 113.55 117.49 2fed h SER 193 Ca -0.46 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 59.83 2fed h SER 193 Cb 1.26 -0.08 -0.10 0.00 -0.44 0.00 0.00 62.40 63.05 2fed h SER 193 CO 0.73 0.23 -0.15 -1.54 -0.53 0.00 0.00 176.83 175.57 2fed n SER 194 N -4.47 5.61 0.00 6.23 3.41 -1.26 -3.11 113.62 120.03 2fed n SER 194 Ca 0.07 -2.69 0.00 0.00 -0.26 0.00 0.00 58.87 55.99 2fed n SER 194 Cb 0.27 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 62.87 2fed n SER 194 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2fed n SER 195 N 1.99 0.00 -3.64 4.04 2.88 -0.81 -5.08 113.62 113.00 2fed n SER 195 Ca 0.44 -0.63 -0.09 0.00 -1.33 0.00 0.00 58.87 57.26 2fed n SER 195 Cb 0.80 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.19 2fed n SER 195 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 2fed s TRP 196 N 0.00 -0.49 -2.00 0.66 -0.00 -1.18 -3.75 118.94 112.19 2fed s TRP 196 Ca 0.00 1.17 0.18 0.00 -0.00 0.00 0.00 56.10 57.45 2fed s TRP 196 Cb 0.00 0.36 1.09 0.00 -0.00 0.00 0.00 33.47 34.92 2fed s TRP 196 CO 0.00 -0.23 1.60 -2.30 -0.00 0.00 0.00 176.95 176.02 2fed n PRO 197 N 2.32 0.85 0.00 5.86 -0.02 -1.26 -4.83 135.00 137.92 2fed n PRO 197 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 2fed n PRO 197 Cb 0.56 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 2fed n PRO 197 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2fed n SER 198 N -0.83 0.00 -3.72 2.55 3.41 -1.26 -4.50 113.62 109.27 2fed n SER 198 Ca 0.14 0.02 -0.14 0.00 -0.26 0.00 0.00 58.87 58.63 2fed n SER 198 Cb 0.06 -0.02 -0.09 0.00 -0.26 0.00 0.00 64.21 63.90 2fed n SER 198 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2fed s GLU 199 N -1.87 0.68 -0.05 4.33 2.12 -1.25 -5.02 118.70 117.65 2fed s GLU 199 Ca 0.00 -0.00 -0.30 0.00 0.36 0.00 0.00 54.97 55.03 2fed s GLU 199 Cb 0.00 0.31 -0.06 0.00 0.26 0.00 0.00 34.13 34.64 2fed s GLU 199 CO 0.00 -0.18 1.67 0.99 -0.54 0.00 0.00 175.26 177.20 2fed s THR 200 N -1.04 3.56 -0.21 -1.70 2.01 -1.26 -4.70 115.64 112.29 2fed s THR 200 Ca -0.11 0.68 0.02 0.00 0.31 0.00 0.00 61.69 62.58 2fed s THR 200 Cb -0.04 -3.44 0.04 0.00 0.01 0.00 0.00 72.50 69.07 2fed s THR 200 CO 0.04 -0.06 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.07 2fed s VAL 201 N 4.06 2.08 -0.02 3.82 1.01 -1.26 -5.00 120.40 125.09 2fed s VAL 201 Ca 0.74 -1.23 0.04 0.00 0.00 0.00 0.00 61.98 61.53 2fed s VAL 201 Cb -0.34 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 2fed s VAL 201 CO 0.30 0.28 -0.13 -0.89 0.00 0.00 0.00 175.10 174.66 2fed s THR 202 N 1.22 1.08 -0.13 3.92 2.01 -1.26 -0.83 115.64 121.64 2fed s THR 202 Ca -0.01 -0.56 -0.07 0.00 0.31 0.00 0.00 61.69 61.36 2fed s THR 202 Cb -0.16 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 2fed s THR 202 CO -0.09 0.31 0.13 0.00 -0.69 0.00 0.00 174.62 174.27 2fed s ASN 204 N -0.78 5.22 -0.03 0.00 -0.87 0.52 -1.22 114.94 117.77 2fed s ASN 204 Ca 0.14 -2.70 -0.20 0.00 -1.57 0.00 0.00 52.86 48.52 2fed s ASN 204 Cb -0.12 -1.84 -0.05 0.00 -0.02 0.00 0.00 41.25 39.22 2fed s ASN 204 CO 0.03 -0.40 0.57 -0.69 -2.57 0.00 0.00 177.10 174.04 2fed s VAL 205 N 0.16 4.99 -0.08 1.60 1.01 -0.11 -2.53 120.40 125.44 2fed s VAL 205 Ca 0.15 1.19 -0.02 0.00 0.00 0.00 0.00 61.98 63.30 2fed s VAL 205 Cb -0.21 -3.91 0.03 0.00 0.00 0.00 0.00 36.38 32.29 2fed s VAL 205 CO -0.03 0.39 0.03 0.00 0.00 0.00 0.00 175.10 175.49 2fed s ALA 206 N 0.04 0.53 -0.34 5.51 0.00 -0.72 -0.30 121.76 126.49 2fed s ALA 206 Ca 0.30 -0.07 -0.04 0.00 0.00 0.00 0.00 51.96 52.15 2fed s ALA 206 Cb -0.17 -0.76 0.06 0.00 0.00 0.00 0.00 23.12 22.25 2fed s ALA 206 CO 0.16 -0.58 0.08 -1.58 0.00 0.00 0.00 175.76 173.84 2fed s HIS 207 N 2.05 3.31 0.31 0.00 2.46 0.58 -1.47 115.29 122.53 2fed s HIS 207 Ca 0.04 -1.77 0.10 0.00 0.47 0.00 0.00 55.06 53.91 2fed s HIS 207 Cb -0.13 -2.39 0.51 0.00 -0.13 0.00 0.00 32.58 30.44 2fed s HIS 207 CO -0.05 -0.80 1.71 -1.00 -2.47 0.00 0.00 174.74 172.12 2fed h PRO 208 N 8.11 0.05 -0.84 2.88 0.13 -1.81 0.74 132.00 141.26 2fed h PRO 208 Ca -0.21 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 2fed h PRO 208 Cb 1.07 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.16 2fed h PRO 208 CO 0.60 0.53 0.48 0.00 -0.23 0.00 0.00 178.00 179.37 2fed h ALA 209 N 1.47 1.25 -0.02 -0.56 0.00 -1.91 -1.10 119.26 118.39 2fed h ALA 209 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2fed h ALA 209 Cb 0.88 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2fed h ALA 209 CO 0.07 0.62 -0.19 -1.13 0.00 0.00 0.00 179.25 178.62 2fed n SER 210 N -4.35 2.22 -3.38 0.00 3.41 -1.24 -4.97 113.62 105.31 2fed n SER 210 Ca 0.09 -1.63 -0.19 0.00 -0.26 0.00 0.00 58.87 56.88 2fed n SER 210 Cb 0.09 0.17 0.08 0.00 -0.26 0.00 0.00 64.21 64.29 2fed n SER 210 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2fed n SER 211 N 0.49 -3.65 -4.13 4.04 7.64 -0.42 -5.01 113.62 112.58 2fed n SER 211 Ca 0.13 -0.56 -0.29 0.00 1.01 0.00 0.00 58.87 59.15 2fed n SER 211 Cb 0.49 -4.90 -0.17 0.00 -1.01 0.00 0.00 64.21 58.62 2fed n SER 211 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2fed s THR 212 N -3.33 1.70 -0.04 0.44 2.01 0.23 -5.00 115.64 111.65 2fed s THR 212 Ca 0.22 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.43 2fed s THR 212 Cb -0.10 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.87 2fed s THR 212 CO 0.70 0.48 -0.01 -0.54 -0.69 0.00 0.00 174.62 174.56 2fed s LYS 213 N 0.65 2.84 -0.09 4.92 1.02 -1.26 -0.31 119.74 127.51 2fed s LYS 213 Ca -0.13 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 55.33 2fed s LYS 213 Cb -0.16 -2.70 0.02 0.00 -0.52 0.00 0.00 37.83 34.47 2fed s LYS 213 CO 0.04 0.66 -0.08 0.08 -0.92 0.00 0.00 175.35 175.12 2fed s VAL 214 N -0.97 0.97 -0.36 3.17 1.01 0.59 -5.00 120.40 119.81 2fed s VAL 214 Ca 0.16 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.77 2fed s VAL 214 Cb -0.11 -0.96 0.06 0.00 0.00 0.00 0.00 36.38 35.36 2fed s VAL 214 CO 0.06 0.34 0.14 -1.81 0.00 0.00 0.00 175.10 173.84 2fed s ASP 215 N 1.32 5.35 -0.32 3.32 1.01 -1.26 -0.93 116.67 125.16 2fed s ASP 215 Ca -0.03 -1.34 -0.05 0.00 0.71 0.00 0.00 52.55 51.84 2fed s ASP 215 Cb -0.14 -1.88 0.04 0.00 1.01 0.00 0.00 42.92 41.95 2fed s ASP 215 CO -0.04 -0.40 0.06 -0.75 0.21 0.00 0.00 175.17 174.26 2fed s LYS 216 N 1.37 2.67 0.17 8.23 2.47 -0.36 -4.93 119.74 129.35 2fed s LYS 216 Ca 0.00 -1.13 -0.30 0.00 -1.56 0.00 0.00 55.97 52.98 2fed s LYS 216 Cb -0.21 -3.35 -0.08 0.00 -1.46 0.00 0.00 37.83 32.74 2fed s LYS 216 CO 0.02 -0.60 1.13 0.21 0.16 0.00 0.00 175.35 176.27 2fed s LYS 217 N 1.38 4.55 -0.85 4.03 2.20 -1.26 -1.05 119.74 128.73 2fed s LYS 217 Ca -0.02 1.76 -0.22 0.00 -0.36 0.00 0.00 55.97 57.14 2fed s LYS 217 Cb -0.19 -3.27 0.09 0.00 -1.51 0.00 0.00 37.83 32.94 2fed s LYS 217 CO 0.01 0.01 1.17 0.42 -0.36 0.00 0.00 175.35 176.60 2fed s ILE 218 N -0.10 4.33 0.04 5.43 -1.09 -0.01 -4.92 121.20 124.88 2fed s ILE 218 Ca 0.51 -0.85 -0.30 0.00 -2.23 0.00 0.00 60.65 57.77 2fed s ILE 218 Cb -0.30 -4.83 -0.05 0.00 -1.58 0.00 0.00 42.46 35.70 2fed s ILE 218 CO 0.35 -1.63 1.12 0.68 -1.23 0.00 0.00 174.94 174.23 2fed s VAL 219 N 3.90 4.34 0.26 2.92 -7.23 -1.26 -4.84 120.40 118.48 2fed s VAL 219 Ca 0.33 1.68 -0.31 0.00 -1.81 0.00 0.00 61.98 61.87 2fed s VAL 219 Cb -0.07 -4.08 -0.12 0.00 0.56 0.00 0.00 36.38 32.67 2fed s VAL 219 CO -0.02 0.13 1.64 -0.81 -0.31 0.00 0.00 175.10 175.73 2fed n PRO 220 N 3.93 2.70 -1.68 4.82 -0.04 -1.26 -4.69 135.00 138.77 2fed n PRO 220 Ca 0.08 0.96 -0.45 0.00 -0.04 0.00 0.00 63.50 64.06 2fed n PRO 220 Cb 0.48 -2.77 -0.04 0.00 -0.04 0.00 0.00 33.50 31.14 2fed n PRO 220 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2fed n ARG 221 N 2.82 2.47 0.00 0.54 1.74 -1.26 -5.13 116.66 117.84 2fed n ARG 221 Ca 0.11 0.90 0.04 0.00 -0.77 0.00 0.00 57.85 58.13 2fed n ARG 221 Cb 0.36 -2.74 0.25 0.00 -1.02 0.00 0.00 32.46 29.31 2fed n ARG 221 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11