#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6a s VAL 2 N 0.00 2.44 -0.01 5.09 1.01 -1.26 -3.95 120.40 123.71 3g6a s VAL 2 Ca 0.00 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.09 3g6a s VAL 2 Cb 0.00 -3.06 -0.00 0.00 0.00 0.00 0.00 36.38 33.32 3g6a s VAL 2 CO 0.00 0.00 -0.08 -1.58 0.00 0.00 0.00 175.10 173.44 3g6a s GLN 3 N 2.24 0.68 -0.12 2.72 0.74 0.32 -4.97 119.66 121.27 3g6a s GLN 3 Ca 0.78 -0.27 -0.02 0.00 0.05 0.00 0.00 55.36 55.90 3g6a s GLN 3 Cb -0.46 -0.65 0.04 0.00 1.10 0.00 0.00 33.01 33.03 3g6a s GLN 3 CO 0.35 0.15 0.01 -0.51 -0.55 0.00 0.00 175.29 174.74 3g6a s LEU 4 N -0.08 0.81 -0.27 3.68 1.43 -1.26 -1.06 118.68 121.93 3g6a s LEU 4 Ca 0.02 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 3g6a s LEU 4 Cb -0.04 -0.51 0.07 0.00 0.03 0.00 0.00 46.19 45.74 3g6a s LEU 4 CO -0.00 -0.24 -0.07 -0.69 0.23 0.00 0.00 176.35 175.58 3g6a s VAL 5 N 1.93 2.07 0.23 -1.59 1.01 -0.82 -4.09 120.40 119.14 3g6a s VAL 5 Ca 0.03 -1.70 -0.09 0.00 0.00 0.00 0.00 61.98 60.22 3g6a s VAL 5 Cb -0.14 -2.27 -0.07 0.00 0.00 0.00 0.00 36.38 33.90 3g6a s VAL 5 CO -0.06 -0.15 0.54 -1.61 0.00 0.00 0.00 175.10 173.81 3g6a s GLU 6 N 1.12 3.77 0.27 2.72 8.01 -1.26 -1.35 118.70 131.98 3g6a s GLU 6 Ca -0.05 0.23 -0.21 0.00 0.01 0.00 0.00 54.97 54.95 3g6a s GLU 6 Cb -0.20 -2.66 0.02 0.00 -4.31 0.00 0.00 34.13 26.99 3g6a s GLU 6 CO -0.06 0.32 0.72 -1.54 0.01 0.00 0.00 175.26 174.70 3g6a s SER 7 N -2.44 -0.27 0.00 -0.19 1.04 0.44 -4.66 113.70 107.61 3g6a s SER 7 Ca 0.47 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.32 3g6a s SER 7 Cb -0.11 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.73 3g6a s SER 7 CO 0.22 -1.32 0.00 0.61 0.98 0.00 0.00 173.24 173.73 3g6a n GLY 8 N -0.46 0.41 3.75 7.32 0.00 -1.26 -1.17 105.19 113.78 3g6a n GLY 8 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 3g6a n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g6a s GLY 9 N -1.64 1.83 0.00 -0.02 0.00 -1.26 -4.75 107.32 101.48 3g6a s GLY 9 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.14 3g6a s GLY 9 CO 0.00 0.78 0.00 0.61 0.00 0.00 0.00 173.10 174.49 3g6a n GLY 10 N -0.74 -0.94 3.84 0.20 0.00 -0.20 -4.85 105.19 102.49 3g6a n GLY 10 Ca 0.10 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 3g6a n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3g6a s LEU 11 N 0.00 4.32 0.11 0.99 2.96 -1.26 -1.68 118.68 124.12 3g6a s LEU 11 Ca 0.00 1.20 -0.25 0.00 -0.22 0.00 0.00 54.13 54.86 3g6a s LEU 11 Cb 0.00 -3.44 0.08 0.00 0.50 0.00 0.00 46.19 43.33 3g6a s LEU 11 CO 0.00 0.06 0.66 0.54 -1.32 0.00 0.00 176.35 176.29 3g6a s VAL 12 N -1.53 0.00 0.14 1.68 0.11 -0.84 -4.95 120.40 115.01 3g6a s VAL 12 Ca 0.41 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.46 3g6a s VAL 12 Cb -0.15 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.66 3g6a s VAL 12 CO 0.20 0.00 0.30 -1.10 -3.33 0.00 0.00 175.10 171.17 3g6a s GLN 13 N -3.46 3.48 0.54 1.54 -0.21 -1.26 -1.45 119.66 118.83 3g6a s GLN 13 Ca 0.01 -0.43 -0.20 0.00 0.02 0.00 0.00 55.36 54.75 3g6a s GLN 13 Cb -0.01 -2.94 -0.07 0.00 1.00 0.00 0.00 33.01 30.99 3g6a s GLN 13 CO -0.11 0.51 0.95 -2.30 -2.12 0.00 0.00 175.29 172.22 3g6a n PRO 14 N -0.28 1.05 0.00 2.91 -0.02 -1.26 -0.80 135.00 136.60 3g6a n PRO 14 Ca -0.05 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 3g6a n PRO 14 Cb 0.53 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 3g6a n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g6a n GLY 15 N 1.28 2.99 0.33 -1.23 0.00 0.14 -4.90 105.19 103.79 3g6a n GLY 15 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 3g6a n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g6a n GLY 16 N -2.00 -0.06 3.13 -0.02 0.00 0.02 -4.22 105.19 102.05 3g6a n GLY 16 Ca 0.00 -1.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 3g6a n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g6a s SER 17 N -1.37 0.86 -0.01 1.61 1.04 -1.26 -1.96 113.70 112.61 3g6a s SER 17 Ca 0.06 -0.99 -0.15 0.00 0.48 0.00 0.00 55.95 55.35 3g6a s SER 17 Cb -0.00 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.28 3g6a s SER 17 CO 0.04 -0.51 0.32 -0.76 0.98 0.00 0.00 173.24 173.30 3g6a s LEU 18 N -2.94 0.83 -0.14 2.42 1.43 0.10 -5.00 118.68 115.38 3g6a s LEU 18 Ca 0.09 0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 3g6a s LEU 18 Cb 0.06 1.30 -0.00 0.00 0.03 0.00 0.00 46.19 47.58 3g6a s LEU 18 CO -0.07 -0.47 -0.17 -0.60 0.23 0.00 0.00 176.35 175.27 3g6a s ARG 19 N -1.44 3.18 0.17 1.70 3.52 -1.26 -0.22 118.95 124.60 3g6a s ARG 19 Ca -0.13 -0.78 0.04 0.00 -0.13 0.00 0.00 55.73 54.73 3g6a s ARG 19 Cb -0.05 -2.55 -0.03 0.00 -1.56 0.00 0.00 34.95 30.76 3g6a s ARG 19 CO 0.04 0.05 0.26 -0.51 -0.81 0.00 0.00 175.30 174.33 3g6a s LEU 20 N 0.71 4.19 0.13 -0.88 1.43 -0.17 -4.64 118.68 119.45 3g6a s LEU 20 Ca -0.08 0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 53.09 3g6a s LEU 20 Cb -0.16 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 3g6a s LEU 20 CO 0.01 0.03 0.03 -0.94 0.23 0.00 0.00 176.35 175.71 3g6a s SER 21 N -3.36 0.56 -0.10 2.29 1.04 -0.32 -1.71 113.70 112.09 3g6a s SER 21 Ca 0.34 -1.17 -0.04 0.00 0.48 0.00 0.00 55.95 55.56 3g6a s SER 21 Cb -0.10 0.24 0.05 0.00 0.10 0.00 0.00 66.02 66.31 3g6a s SER 21 CO 0.27 -0.67 0.18 0.00 0.98 0.00 0.00 173.24 174.01 3g6a s ALA 23 N 2.32 3.62 0.23 0.00 0.00 -0.46 -0.73 121.76 126.74 3g6a s ALA 23 Ca 0.03 -0.80 0.07 0.00 0.00 0.00 0.00 51.96 51.26 3g6a s ALA 23 Cb -0.12 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 3g6a s ALA 23 CO -0.07 -0.11 0.13 0.00 0.00 0.00 0.00 175.76 175.71 3g6a s ALA 24 N 0.90 3.47 0.19 0.00 0.00 0.29 -1.94 121.76 124.67 3g6a s ALA 24 Ca 0.09 -1.42 -0.23 0.00 0.00 0.00 0.00 51.96 50.40 3g6a s ALA 24 Cb -0.13 -1.19 0.05 0.00 0.00 0.00 0.00 23.12 21.85 3g6a s ALA 24 CO 0.03 0.33 0.76 -1.54 0.00 0.00 0.00 175.76 175.34 3g6a s SER 25 N -3.58 -0.33 0.00 0.00 1.04 -0.23 -4.86 113.70 105.74 3g6a s SER 25 Ca 0.32 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.41 3g6a s SER 25 Cb -0.08 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.64 3g6a s SER 25 CO 0.23 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.99 3g6a n GLY 26 N -0.42 0.53 3.69 7.32 0.00 -1.25 -0.52 105.19 114.54 3g6a n GLY 26 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 3g6a n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3g6a s PHE 27 N -2.15 0.15 -0.82 1.61 -0.71 -1.26 -4.12 117.98 110.67 3g6a s PHE 27 Ca 0.00 -0.55 -0.24 0.00 -1.04 0.00 0.00 56.93 55.10 3g6a s PHE 27 Cb 0.00 0.39 0.05 0.00 -1.21 0.00 0.00 43.02 42.25 3g6a s PHE 27 CO 0.00 -1.08 1.25 0.99 -1.34 0.00 0.00 175.22 175.04 3g6a s THR 28 N -3.98 4.00 0.16 -4.49 2.01 -1.26 -4.86 115.64 107.21 3g6a s THR 28 Ca 0.18 -0.28 -0.16 0.00 0.31 0.00 0.00 61.69 61.74 3g6a s THR 28 Cb -0.03 -4.90 0.03 0.00 0.01 0.00 0.00 72.50 67.61 3g6a s THR 28 CO 0.08 -1.77 1.74 0.15 -0.69 0.00 0.00 174.62 174.13 3g6a h PHE 29 N 9.75 0.17 0.00 4.92 3.57 -1.96 -2.32 116.94 131.07 3g6a h PHE 29 Ca -0.10 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.42 3g6a h PHE 29 Cb 1.04 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.76 3g6a h PHE 29 CO 1.15 0.05 0.42 -0.91 -2.23 0.00 0.00 178.31 176.79 3g6a h ASN 30 N 0.23 0.00 -0.26 0.41 4.21 -1.89 -2.79 115.58 115.49 3g6a h ASN 30 Ca 0.17 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.68 3g6a h ASN 30 Cb 0.17 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.37 3g6a h ASN 30 CO -0.20 0.00 0.00 -1.54 -1.29 0.00 0.00 177.43 174.40 3g6a n SER 31 N -2.34 3.45 -4.14 5.81 3.41 -0.87 -4.60 113.62 114.35 3g6a n SER 31 Ca -0.01 -2.68 -0.19 0.00 -0.26 0.00 0.00 58.87 55.73 3g6a n SER 31 Cb 0.45 -0.42 -0.13 0.00 -0.26 0.00 0.00 64.21 63.84 3g6a n SER 31 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3g6a s TYR 32 N -2.21 1.17 0.27 7.33 1.51 -1.06 -4.21 117.35 120.15 3g6a s TYR 32 Ca 0.34 -0.37 -0.30 0.00 -1.01 0.00 0.00 57.07 55.74 3g6a s TYR 32 Cb 0.26 -0.69 -0.10 0.00 -0.11 0.00 0.00 41.96 41.32 3g6a s TYR 32 CO 0.10 0.03 1.37 -0.46 -1.11 0.00 0.00 175.55 175.48 3g6a s TRP 33 N -0.91 3.08 0.03 2.71 -0.11 0.53 -3.62 118.94 120.65 3g6a s TRP 33 Ca 0.00 1.20 0.07 0.00 1.22 0.00 0.00 56.10 58.60 3g6a s TRP 33 Cb -0.08 -3.72 -0.02 0.00 -1.50 0.00 0.00 33.47 28.14 3g6a s TRP 33 CO 0.01 -2.22 -0.22 0.42 -4.62 0.00 0.00 176.95 170.33 3g6a s ILE 34 N -0.36 1.75 0.23 5.86 -1.09 -0.82 -0.56 121.20 126.21 3g6a s ILE 34 Ca 0.55 -1.17 0.11 0.00 -2.23 0.00 0.00 60.65 57.92 3g6a s ILE 34 Cb -0.40 -1.50 -0.05 0.00 -1.58 0.00 0.00 42.46 38.93 3g6a s ILE 34 CO 0.45 0.29 -0.19 0.20 -1.23 0.00 0.00 174.94 174.47 3g6a s ASN 35 N -1.03 3.69 -0.13 3.58 0.01 -0.37 -0.77 114.94 119.92 3g6a s ASN 35 Ca 0.08 -0.87 -0.03 0.00 -0.71 0.00 0.00 52.86 51.33 3g6a s ASN 35 Cb -0.09 -0.38 -0.03 0.00 0.41 0.00 0.00 41.25 41.16 3g6a s ASN 35 CO 0.01 0.08 -0.02 0.26 -1.51 0.00 0.00 177.10 175.92 3g6a s TRP 36 N -2.05 3.07 0.02 2.20 0.52 -0.19 -0.35 118.94 122.16 3g6a s TRP 36 Ca 0.26 -0.09 0.04 0.00 0.02 0.00 0.00 56.10 56.32 3g6a s TRP 36 Cb -0.07 -1.90 -0.02 0.00 -1.15 0.00 0.00 33.47 30.34 3g6a s TRP 36 CO 0.13 0.16 -0.12 0.08 0.02 0.00 0.00 176.95 177.23 3g6a s VAL 37 N -0.10 0.91 0.19 4.03 1.01 -0.14 -0.93 120.40 125.38 3g6a s VAL 37 Ca 0.03 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.32 3g6a s VAL 37 Cb -0.13 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 3g6a s VAL 37 CO 0.02 0.04 -0.19 0.00 0.00 0.00 0.00 175.10 174.97 3g6a s ARG 38 N -0.85 1.39 -0.17 2.72 1.70 0.62 0.30 118.95 124.67 3g6a s ARG 38 Ca 0.01 -1.50 -0.03 0.00 -0.47 0.00 0.00 55.73 53.74 3g6a s ARG 38 Cb -0.07 -1.47 0.05 0.00 -0.57 0.00 0.00 34.95 32.90 3g6a s ARG 38 CO 0.01 0.29 0.03 -1.14 -1.08 0.00 0.00 175.30 173.41 3g6a s GLN 39 N -2.97 0.63 0.47 3.89 0.74 0.18 -1.26 119.66 121.35 3g6a s GLN 39 Ca 0.20 -0.31 -0.22 0.00 0.05 0.00 0.00 55.36 55.07 3g6a s GLN 39 Cb -0.05 -1.89 -0.07 0.00 1.10 0.00 0.00 33.01 32.09 3g6a s GLN 39 CO 0.08 -0.58 1.16 0.00 -0.55 0.00 0.00 175.29 175.40 3g6a s ALA 40 N 1.89 2.92 0.22 1.58 0.00 -1.26 -0.87 121.76 126.24 3g6a s ALA 40 Ca 0.00 0.91 -0.32 0.00 0.00 0.00 0.00 51.96 52.56 3g6a s ALA 40 Cb -0.16 -3.38 -0.14 0.00 0.00 0.00 0.00 23.12 19.44 3g6a s ALA 40 CO -0.08 -0.67 1.39 -2.30 0.00 0.00 0.00 175.76 174.10 3g6a n PRO 41 N -0.64 1.93 -1.42 0.00 -0.02 -1.26 -0.14 135.00 133.45 3g6a n PRO 41 Ca 0.08 0.69 -0.15 0.00 -2.02 0.00 0.00 63.50 62.10 3g6a n PRO 41 Cb 0.49 -2.33 -0.07 0.00 -0.02 0.00 0.00 33.50 31.57 3g6a n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g6a n GLY 42 N 2.25 1.45 3.84 -1.23 0.00 -1.26 -5.00 105.19 105.23 3g6a n GLY 42 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 3g6a n GLY 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3g6a s LYS 43 N -3.25 2.24 0.00 1.61 2.20 0.80 -5.15 119.74 118.19 3g6a s LYS 43 Ca 0.00 -2.12 0.00 0.00 -0.36 0.00 0.00 55.97 53.49 3g6a s LYS 43 Cb 0.00 -1.91 0.00 0.00 -1.51 0.00 0.00 37.83 34.41 3g6a s LYS 43 CO 0.00 -0.47 0.00 0.41 -0.36 0.00 0.00 175.35 174.93 3g6a n GLY 44 N -1.54 -0.67 3.85 5.54 0.00 -1.26 -4.66 105.19 106.45 3g6a n GLY 44 Ca -0.07 -1.71 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 3g6a n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g6a s LEU 45 N 0.00 4.44 -0.14 0.99 1.43 -1.26 -4.19 118.68 119.95 3g6a s LEU 45 Ca 0.00 0.78 -0.02 0.00 -1.03 0.00 0.00 54.13 53.86 3g6a s LEU 45 Cb 0.00 -2.40 0.04 0.00 0.03 0.00 0.00 46.19 43.86 3g6a s LEU 45 CO 0.00 0.35 0.00 -0.70 0.23 0.00 0.00 176.35 176.23 3g6a s GLU 46 N -1.01 0.81 0.35 1.70 2.12 -0.39 -4.99 118.70 117.29 3g6a s GLU 46 Ca 0.20 -0.24 -0.28 0.00 0.36 0.00 0.00 54.97 55.01 3g6a s GLU 46 Cb -0.15 -1.67 -0.10 0.00 0.26 0.00 0.00 34.13 32.47 3g6a s GLU 46 CO 0.10 -0.47 1.35 -0.46 -0.54 0.00 0.00 175.26 175.24 3g6a s TRP 47 N 1.85 2.91 -0.09 5.30 -0.00 -1.26 -0.27 118.94 127.37 3g6a s TRP 47 Ca 0.02 1.36 -0.04 0.00 -0.00 0.00 0.00 56.10 57.44 3g6a s TRP 47 Cb -0.15 -3.76 -0.04 0.00 -0.00 0.00 0.00 33.47 29.52 3g6a s TRP 47 CO -0.07 -2.15 -0.11 0.28 -0.00 0.00 0.00 176.95 174.89 3g6a n VAL 48 N 0.63 0.51 -3.55 5.86 0.31 -0.10 -4.55 118.33 117.43 3g6a n VAL 48 Ca 0.01 -0.14 -0.13 0.00 -0.01 0.00 0.00 64.34 64.07 3g6a n VAL 48 Cb 0.41 -1.50 -0.05 0.00 -0.91 0.00 0.00 33.84 31.79 3g6a n VAL 48 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3g6a s SER 49 N -5.69 -0.46 0.08 4.52 0.15 -1.14 -0.84 113.70 110.32 3g6a s SER 49 Ca -0.13 0.46 -0.09 0.00 0.70 0.00 0.00 55.95 56.88 3g6a s SER 49 Cb 0.05 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 3g6a s SER 49 CO 0.17 -0.46 0.21 -0.83 1.20 0.00 0.00 173.24 173.53 3g6a s GLY 50 N -1.28 0.05 -0.02 9.45 0.00 0.16 -1.02 107.32 114.66 3g6a s GLY 50 Ca -0.04 -0.48 0.01 0.00 0.00 0.00 0.00 44.72 44.20 3g6a s GLY 50 CO 0.03 -0.67 -0.01 -1.50 0.00 0.00 0.00 173.10 170.94 3g6a s ILE 51 N -3.49 0.22 0.88 0.90 2.07 0.05 -1.70 121.20 120.13 3g6a s ILE 51 Ca 0.02 -0.01 -0.11 0.00 -1.41 0.00 0.00 60.65 59.14 3g6a s ILE 51 Cb 0.03 -0.26 0.12 0.00 0.13 0.00 0.00 42.46 42.49 3g6a s ILE 51 CO -0.09 0.12 1.11 0.00 -1.91 0.00 0.00 174.94 174.16 3g6a s ALA 52 N 0.55 1.61 0.41 1.50 0.00 0.08 -1.95 121.76 123.97 3g6a s ALA 52 Ca -0.06 0.33 0.16 0.00 0.00 0.00 0.00 51.96 52.39 3g6a s ALA 52 Cb -0.09 -3.34 1.04 0.00 0.00 0.00 0.00 23.12 20.74 3g6a s ALA 52 CO -0.01 -2.43 1.89 0.10 0.00 0.00 0.00 175.76 175.30 3g6a h TYR 53 N -1.62 0.55 -0.53 0.00 -0.00 -1.47 -1.76 116.97 112.14 3g6a h TYR 53 Ca -0.46 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.29 3g6a h TYR 53 Cb 1.26 -0.17 0.00 0.00 -0.00 0.00 0.00 36.73 37.82 3g6a h TYR 53 CO 0.50 0.18 0.00 -0.40 -0.00 0.00 0.00 178.16 178.44 3g6a n ASP 54 N -4.50 3.58 -2.03 0.10 5.75 -1.26 -4.74 116.55 113.44 3g6a n ASP 54 Ca 0.17 -2.09 -0.18 0.00 -0.01 0.00 0.00 54.79 52.68 3g6a n ASP 54 Cb 0.60 -0.39 -0.04 0.00 -1.03 0.00 0.00 41.12 40.26 3g6a n ASP 54 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3g6a n SER 55 N 1.00 -5.06 0.16 -1.12 7.64 -0.66 -4.87 113.62 110.71 3g6a n SER 55 Ca 0.19 0.22 0.13 0.00 1.01 0.00 0.00 58.87 60.42 3g6a n SER 55 Cb 0.57 -4.35 0.35 0.00 -1.01 0.00 0.00 64.21 59.77 3g6a n SER 55 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3g6a h SER 56 N 0.00 0.00 -3.77 6.43 4.64 -1.92 -3.47 113.55 115.47 3g6a h SER 56 Ca -0.40 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.76 3g6a h SER 56 Cb 1.26 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 63.09 3g6a h SER 56 CO 0.52 0.00 -0.39 0.21 -0.87 0.00 0.00 176.83 176.30 3g6a s ASN 57 N -5.14 -0.30 -0.01 4.97 3.04 -1.26 -5.02 114.94 111.21 3g6a s ASN 57 Ca 0.08 0.57 0.00 0.00 0.04 0.00 0.00 52.86 53.56 3g6a s ASN 57 Cb 0.09 0.57 0.01 0.00 -1.54 0.00 0.00 41.25 40.38 3g6a s ASN 57 CO 0.60 -0.11 -0.00 0.28 -3.04 0.00 0.00 177.10 174.83 3g6a s THR 58 N 0.29 0.10 0.03 -5.21 -1.32 -1.26 -0.74 115.64 107.54 3g6a s THR 58 Ca -0.01 0.02 0.02 0.00 -1.21 0.00 0.00 61.69 60.50 3g6a s THR 58 Cb -0.03 -0.14 -0.02 0.00 -1.51 0.00 0.00 72.50 70.80 3g6a s THR 58 CO -0.01 0.07 -0.07 -0.76 -2.21 0.00 0.00 174.62 171.64 3g6a s LEU 59 N 0.39 2.23 0.02 9.08 1.43 -0.69 -4.98 118.68 126.16 3g6a s LEU 59 Ca -0.03 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 3g6a s LEU 59 Cb -0.06 -0.14 -0.02 0.00 0.03 0.00 0.00 46.19 46.01 3g6a s LEU 59 CO -0.01 -0.19 -0.05 -0.31 0.23 0.00 0.00 176.35 176.02 3g6a s TYR 60 N -1.26 0.45 0.50 0.29 2.02 -1.26 -0.67 117.35 117.41 3g6a s TYR 60 Ca -0.10 -0.36 -0.23 0.00 -0.37 0.00 0.00 57.07 56.01 3g6a s TYR 60 Cb -0.09 -0.28 -0.06 0.00 -0.40 0.00 0.00 41.96 41.12 3g6a s TYR 60 CO 0.00 -0.08 1.26 0.00 -1.57 0.00 0.00 175.55 175.16 3g6a s ALA 61 N -0.98 2.92 0.61 3.71 0.00 -0.02 -4.83 121.76 123.17 3g6a s ALA 61 Ca -0.08 1.13 0.33 0.00 0.00 0.00 0.00 51.96 53.34 3g6a s ALA 61 Cb -0.07 -3.47 1.93 0.00 0.00 0.00 0.00 23.12 21.51 3g6a s ALA 61 CO -0.00 -0.99 2.25 -0.44 0.00 0.00 0.00 175.76 176.57 3g6a h ASP 62 N 1.81 0.00 0.74 0.00 3.32 -1.94 -0.59 116.42 119.76 3g6a h ASP 62 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3g6a h ASP 62 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3g6a h ASP 62 CO 0.59 0.00 0.00 -1.28 -1.72 0.00 0.00 179.24 176.83 3g6a h SER 63 N 0.00 0.00 0.00 6.45 0.87 -1.96 -3.25 113.55 115.66 3g6a h SER 63 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3g6a h SER 63 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 3g6a h SER 63 CO -0.00 0.00 -0.18 0.55 -0.53 0.00 0.00 176.83 176.67 3g6a n VAL 64 N -2.98 0.00 -1.76 2.23 3.14 -0.38 -5.02 118.33 113.57 3g6a n VAL 64 Ca -0.00 -0.32 -0.41 0.00 -2.96 0.00 0.00 64.34 60.65 3g6a n VAL 64 Cb 0.24 0.87 -0.01 0.00 -1.06 0.00 0.00 33.84 33.88 3g6a n VAL 64 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 3g6a n LYS 65 N -0.91 2.63 0.00 1.45 4.81 -0.37 -1.97 118.16 123.80 3g6a n LYS 65 Ca 0.00 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.37 3g6a n LYS 65 Cb 0.00 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 32.39 3g6a n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3g6a n GLY 66 N 1.01 2.62 0.02 3.14 0.00 -1.26 -4.79 105.19 105.93 3g6a n GLY 66 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 3g6a n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g6a n ARG 67 N -2.00 2.72 -4.18 1.61 1.74 -0.83 -5.03 116.66 110.68 3g6a n ARG 67 Ca 0.00 -0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 56.76 3g6a n ARG 67 Cb 0.00 -1.14 -0.08 0.00 -1.02 0.00 0.00 32.46 30.22 3g6a n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3g6a s PHE 68 N -2.17 3.08 -0.06 -1.55 0.40 -1.05 -0.83 117.98 115.79 3g6a s PHE 68 Ca -0.03 0.05 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 3g6a s PHE 68 Cb 0.02 -1.62 0.02 0.00 0.51 0.00 0.00 43.02 41.95 3g6a s PHE 68 CO 0.23 0.48 -0.05 0.99 0.70 0.00 0.00 175.22 177.57 3g6a s THR 69 N -1.21 0.62 0.00 0.64 2.01 0.33 -4.92 115.64 113.12 3g6a s THR 69 Ca 0.23 -0.12 -0.02 0.00 0.31 0.00 0.00 61.69 62.09 3g6a s THR 69 Cb -0.12 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 3g6a s THR 69 CO 0.15 0.26 0.16 -0.51 -0.69 0.00 0.00 174.62 173.99 3g6a s ILE 70 N 1.23 5.23 0.23 1.82 2.07 -1.26 -0.58 121.20 129.93 3g6a s ILE 70 Ca -0.06 -0.26 -0.16 0.00 -1.41 0.00 0.00 60.65 58.76 3g6a s ILE 70 Cb -0.14 -3.45 0.01 0.00 0.13 0.00 0.00 42.46 39.02 3g6a s ILE 70 CO -0.02 0.31 0.53 -0.94 -1.91 0.00 0.00 174.94 172.91 3g6a s SER 71 N -1.96 -0.19 0.04 4.50 1.04 -0.93 -5.00 113.70 111.20 3g6a s SER 71 Ca 0.27 -0.67 -0.00 0.00 0.48 0.00 0.00 55.95 56.03 3g6a s SER 71 Cb -0.12 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 3g6a s SER 71 CO 0.19 -1.13 -0.04 0.00 0.98 0.00 0.00 173.24 173.24 3g6a s ARG 72 N -3.93 0.51 -0.35 4.02 1.70 -1.26 -1.03 118.95 118.61 3g6a s ARG 72 Ca 0.14 -0.98 0.03 0.00 -0.47 0.00 0.00 55.73 54.46 3g6a s ARG 72 Cb -0.02 0.11 0.10 0.00 -0.57 0.00 0.00 34.95 34.58 3g6a s ARG 72 CO 0.03 -0.07 0.07 0.34 -1.08 0.00 0.00 175.30 174.58 3g6a s ASP 73 N -2.31 4.66 0.55 -2.89 -1.08 0.48 -4.98 116.67 111.10 3g6a s ASP 73 Ca -0.02 -2.15 0.33 0.00 -0.52 0.00 0.00 52.55 50.19 3g6a s ASP 73 Cb 0.00 -1.54 1.50 0.00 -1.46 0.00 0.00 42.92 41.42 3g6a s ASP 73 CO -0.06 -0.38 2.05 0.78 0.52 0.00 0.00 175.17 178.08 3g6a h ASN 74 N 7.61 0.00 1.79 -0.34 2.35 -1.97 -1.45 115.58 123.56 3g6a h ASN 74 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3g6a h ASN 74 Cb 1.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.38 3g6a h ASN 74 CO 0.52 0.06 0.00 0.77 -1.65 0.00 0.00 177.43 177.14 3g6a h SER 75 N 0.00 0.00 -0.03 5.81 4.64 -1.95 -3.27 113.55 118.75 3g6a h SER 75 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g6a h SER 75 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3g6a h SER 75 CO 0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 3g6a n LYS 76 N -2.87 0.96 -3.72 4.77 5.02 -0.82 -5.00 118.16 116.50 3g6a n LYS 76 Ca 0.04 -1.07 -0.24 0.00 -2.02 0.00 0.00 58.31 55.03 3g6a n LYS 76 Cb 0.49 -1.04 0.04 0.00 -0.02 0.00 0.00 35.03 34.49 3g6a n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3g6a n ASN 77 N -0.08 -2.84 -4.07 4.39 4.13 -0.61 -4.78 115.26 111.40 3g6a n ASN 77 Ca 0.02 -0.76 -0.19 0.00 1.68 0.00 0.00 54.58 55.33 3g6a n ASN 77 Cb 0.16 -4.22 -0.14 0.00 -1.54 0.00 0.00 39.78 34.04 3g6a n ASN 77 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3g6a s THR 78 N -3.49 0.85 0.05 3.41 2.01 -0.91 -0.55 115.64 117.02 3g6a s THR 78 Ca 0.25 -0.66 0.09 0.00 0.31 0.00 0.00 61.69 61.68 3g6a s THR 78 Cb -0.12 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 3g6a s THR 78 CO 0.80 0.09 -0.25 -0.22 -0.69 0.00 0.00 174.62 174.35 3g6a s LEU 79 N -0.64 2.18 0.11 4.42 2.96 0.09 -0.38 118.68 127.42 3g6a s LEU 79 Ca 0.02 -0.59 0.09 0.00 -0.22 0.00 0.00 54.13 53.42 3g6a s LEU 79 Cb -0.06 -1.21 -0.04 0.00 0.50 0.00 0.00 46.19 45.39 3g6a s LEU 79 CO 0.00 0.23 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.73 3g6a s TYR 80 N -0.83 1.87 -0.19 5.38 2.02 -0.20 -0.65 117.35 124.75 3g6a s TYR 80 Ca 0.11 -0.41 -0.01 0.00 -0.37 0.00 0.00 57.07 56.38 3g6a s TYR 80 Cb -0.10 -1.02 0.05 0.00 -0.40 0.00 0.00 41.96 40.50 3g6a s TYR 80 CO 0.02 0.23 -0.01 -1.17 -1.57 0.00 0.00 175.55 173.05 3g6a s LEU 81 N -1.93 1.64 -0.37 -1.29 2.96 -0.70 -2.18 118.68 116.81 3g6a s LEU 81 Ca 0.08 -0.86 -0.21 0.00 -0.22 0.00 0.00 54.13 52.92 3g6a s LEU 81 Cb -0.10 -0.82 0.01 0.00 0.50 0.00 0.00 46.19 45.78 3g6a s LEU 81 CO 0.04 -0.26 0.66 -1.58 -1.32 0.00 0.00 176.35 173.90 3g6a s GLN 82 N 1.69 3.65 -0.33 1.98 2.00 0.25 -0.99 119.66 127.90 3g6a s GLN 82 Ca -0.02 0.05 -0.09 0.00 -2.00 0.00 0.00 55.36 53.31 3g6a s GLN 82 Cb -0.17 -3.82 0.02 0.00 0.80 0.00 0.00 33.01 29.83 3g6a s GLN 82 CO -0.07 -0.79 0.14 -1.64 -0.50 0.00 0.00 175.29 172.43 3g6a s MET 83 N 2.80 2.99 0.38 1.67 -1.94 0.70 -0.51 119.30 125.38 3g6a s MET 83 Ca 0.25 -0.94 0.08 0.00 -1.71 0.00 0.00 55.69 53.37 3g6a s MET 83 Cb -0.14 -3.54 -0.04 0.00 2.01 0.00 0.00 34.83 33.12 3g6a s MET 83 CO 0.16 -0.55 0.23 -0.80 -0.01 0.00 0.00 175.02 174.05 3g6a s ASN 84 N 1.53 4.80 -1.51 3.03 0.01 -0.01 -0.72 114.94 122.06 3g6a s ASN 84 Ca 0.02 -0.80 -0.03 0.00 -0.71 0.00 0.00 52.86 51.34 3g6a s ASN 84 Cb -0.18 -0.66 0.03 0.00 0.41 0.00 0.00 41.25 40.85 3g6a s ASN 84 CO 0.05 -0.46 0.33 -1.20 -1.51 0.00 0.00 177.10 174.31 3g6a n SER 85 N -1.31 -0.30 -4.68 -1.22 7.64 -1.10 -4.69 113.62 107.96 3g6a n SER 85 Ca -0.01 -1.11 -0.40 0.00 1.01 0.00 0.00 58.87 58.37 3g6a n SER 85 Cb 0.62 -2.47 0.03 0.00 -1.01 0.00 0.00 64.21 61.38 3g6a n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3g6a n LEU 86 N -4.45 4.16 -4.45 -3.43 4.77 -0.83 -4.57 117.00 108.21 3g6a n LEU 86 Ca -0.25 0.99 -0.24 0.00 -0.03 0.00 0.00 56.01 56.48 3g6a n LEU 86 Cb 0.66 -1.47 -0.10 0.00 -2.33 0.00 0.00 43.42 40.17 3g6a n LEU 86 CO 0.81 -1.04 -0.48 -0.13 -1.33 0.00 0.00 177.39 175.21 3g6a s ARG 87 N -2.50 1.62 0.19 3.23 0.52 -1.26 0.23 118.95 120.98 3g6a s ARG 87 Ca 0.68 -1.72 -0.11 0.00 -0.52 0.00 0.00 55.73 54.06 3g6a s ARG 87 Cb -0.47 -1.70 0.17 0.00 0.52 0.00 0.00 34.95 33.48 3g6a s ARG 87 CO 0.53 0.32 1.82 0.00 0.02 0.00 0.00 175.30 177.98 3g6a h ALA 88 N 2.42 0.79 0.00 2.13 0.00 -1.96 -0.53 119.26 122.11 3g6a h ALA 88 Ca -0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3g6a h ALA 88 Cb 1.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3g6a h ALA 88 CO 0.59 0.06 0.00 -0.85 0.00 0.00 0.00 179.25 179.05 3g6a n GLU 89 N -4.77 0.34 0.00 0.00 0.00 -1.26 -1.58 120.64 113.37 3g6a n GLU 89 Ca 0.06 0.00 0.15 0.00 0.00 0.00 0.00 57.16 57.37 3g6a n GLU 89 Cb 0.12 -1.48 0.68 0.00 0.00 0.00 0.00 31.44 30.75 3g6a n GLU 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3g6a n ASP 90 N -0.98 0.67 -4.69 -1.84 8.00 -0.21 -4.91 116.55 112.60 3g6a n ASP 90 Ca 0.08 -1.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.16 3g6a n ASP 90 Cb 0.04 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 3g6a n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3g6a s THR 91 N -2.19 2.82 -0.18 -3.53 2.01 -0.62 -4.89 115.64 109.07 3g6a s THR 91 Ca 0.37 0.25 -0.35 0.00 0.31 0.00 0.00 61.69 62.27 3g6a s THR 91 Cb 0.21 -3.16 0.15 0.00 0.01 0.00 0.00 72.50 69.71 3g6a s THR 91 CO 0.40 -0.00 1.35 0.00 -0.69 0.00 0.00 174.62 175.67 3g6a s ALA 92 N 2.92 -2.26 -0.01 7.40 0.00 -0.65 -4.45 121.76 124.72 3g6a s ALA 92 Ca 0.79 1.43 -0.30 0.00 0.00 0.00 0.00 51.96 53.88 3g6a s ALA 92 Cb -0.43 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 3g6a s ALA 92 CO 0.35 -0.76 1.06 0.08 0.00 0.00 0.00 175.76 176.49 3g6a s VAL 93 N -2.18 4.59 -0.29 0.00 1.01 -0.05 -1.70 120.40 121.79 3g6a s VAL 93 Ca 0.12 1.86 -0.10 0.00 0.00 0.00 0.00 61.98 63.87 3g6a s VAL 93 Cb 0.02 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 3g6a s VAL 93 CO -0.04 0.11 0.16 -0.31 0.00 0.00 0.00 175.10 175.02 3g6a s TYR 94 N 1.29 3.18 -0.11 5.22 1.51 -0.45 0.51 117.35 128.50 3g6a s TYR 94 Ca 0.53 -0.22 -0.06 0.00 -1.01 0.00 0.00 57.07 56.31 3g6a s TYR 94 Cb -0.23 -2.36 -0.04 0.00 -0.11 0.00 0.00 41.96 39.22 3g6a s TYR 94 CO 0.26 -0.31 0.12 0.71 -1.11 0.00 0.00 175.55 175.22 3g6a s TYR 95 N 1.69 3.53 -0.02 2.71 1.51 0.15 -0.66 117.35 126.26 3g6a s TYR 95 Ca 0.06 0.47 -0.19 0.00 -1.01 0.00 0.00 57.07 56.40 3g6a s TYR 95 Cb -0.16 -1.91 -0.05 0.00 -0.11 0.00 0.00 41.96 39.72 3g6a s TYR 95 CO 0.08 0.70 0.54 0.00 -1.11 0.00 0.00 175.55 175.76 3g6a s ALA 97 N -0.29 0.14 0.31 0.00 0.00 0.52 -1.43 121.76 121.01 3g6a s ALA 97 Ca 0.29 0.15 -0.29 0.00 0.00 0.00 0.00 51.96 52.10 3g6a s ALA 97 Cb -0.18 -0.86 -0.11 0.00 0.00 0.00 0.00 23.12 21.97 3g6a s ALA 97 CO 0.15 -0.78 1.54 0.50 0.00 0.00 0.00 175.76 177.18 3g6a s ARG 98 N 2.21 4.14 1.00 0.00 3.52 -0.33 -1.24 118.95 128.25 3g6a s ARG 98 Ca 0.04 2.54 -0.14 0.00 -0.13 0.00 0.00 55.73 58.03 3g6a s ARG 98 Cb -0.14 -3.02 0.19 0.00 -1.56 0.00 0.00 34.95 30.42 3g6a s ARG 98 CO -0.06 -0.57 1.15 0.20 -0.81 0.00 0.00 175.30 175.20 3g6a s GLY 99 N 0.29 1.60 0.24 8.12 0.00 0.27 0.14 107.32 117.98 3g6a s GLY 99 Ca 0.60 -0.68 0.01 0.00 0.00 0.00 0.00 44.72 44.65 3g6a s GLY 99 CO 0.51 -0.01 1.62 1.41 0.00 0.00 0.00 173.10 176.63 3g6a h LEU 100 N -1.82 0.51 0.00 0.66 3.38 0.95 -3.39 115.31 115.60 3g6a h LEU 100 Ca -0.49 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.25 3g6a h LEU 100 Cb 1.31 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3g6a h LEU 100 CO 0.52 0.86 0.00 0.61 0.09 0.00 0.00 178.44 180.52 3g6a n GLY 101 N -0.06 5.21 0.03 0.83 0.00 -1.17 -5.04 105.19 105.00 3g6a n GLY 101 Ca -0.02 -0.91 0.02 0.00 0.00 0.00 0.00 46.02 45.12 3g6a n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6a n ALA 102 N -3.00 2.25 -2.57 4.61 0.00 -1.26 -0.35 120.51 120.20 3g6a n ALA 102 Ca 0.00 -0.65 -0.27 0.00 0.00 0.00 0.00 53.44 52.52 3g6a n ALA 102 Cb 0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 19.45 18.95 3g6a n ALA 102 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3g6a s PHE 103 N -2.89 2.51 0.27 0.00 0.08 -1.26 -2.02 117.98 114.67 3g6a s PHE 103 Ca -0.07 -0.59 -0.01 0.00 0.12 0.00 0.00 56.93 56.38 3g6a s PHE 103 Cb 0.09 -1.68 0.49 0.00 -0.57 0.00 0.00 43.02 41.34 3g6a s PHE 103 CO 0.69 0.45 1.84 1.12 -0.10 0.00 0.00 175.22 179.22 3g6a h HIS 104 N 1.78 1.11 0.00 0.36 2.07 -1.97 0.11 115.15 118.61 3g6a h HIS 104 Ca -0.43 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.12 3g6a h HIS 104 Cb 1.25 -0.35 0.00 0.00 2.57 0.00 0.00 27.41 30.87 3g6a h HIS 104 CO 0.72 0.47 0.00 0.11 -3.07 0.00 0.00 177.93 176.16 3g6a h TRP 105 N 1.00 0.00 -0.50 6.12 0.09 -2.00 -0.91 115.95 119.75 3g6a h TRP 105 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.44 3g6a h TRP 105 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.63 3g6a h TRP 105 CO -0.01 0.00 0.00 -0.25 0.09 0.00 0.00 178.44 178.27 3g6a n ASP 106 N -2.91 4.75 0.00 0.11 8.00 0.02 -4.68 116.55 121.84 3g6a n ASP 106 Ca -0.00 -2.67 0.13 0.00 0.71 0.00 0.00 54.79 52.96 3g6a n ASP 106 Cb 0.21 -0.62 0.67 0.00 -0.02 0.00 0.00 41.12 41.36 3g6a n ASP 106 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 3g6a n MET 107 N 0.64 0.32 -1.70 -1.24 0.00 -0.35 -1.01 117.12 113.79 3g6a n MET 107 Ca 0.23 0.03 -0.44 0.00 0.00 0.00 0.00 57.70 57.52 3g6a n MET 107 Cb 0.97 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 32.66 3g6a n MET 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3g6a n GLN 108 N -1.32 2.36 -1.80 3.17 6.02 -1.26 -4.54 117.38 120.00 3g6a n GLN 108 Ca 0.12 0.85 -0.41 0.00 -0.01 0.00 0.00 57.00 57.54 3g6a n GLN 108 Cb 0.23 -2.60 -0.01 0.00 1.02 0.00 0.00 30.24 28.88 3g6a n GLN 108 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 3g6a s PRO 109 N 0.27 4.13 -0.14 -1.09 0.02 -1.26 -0.53 135.00 136.40 3g6a s PRO 109 Ca 0.72 2.56 -0.08 0.00 0.02 0.00 0.00 61.00 64.21 3g6a s PRO 109 Cb -0.60 -3.01 -0.06 0.00 0.02 0.00 0.00 34.50 30.85 3g6a s PRO 109 CO 0.42 -0.58 -0.20 -0.40 -0.33 0.00 0.00 177.00 175.92 3g6a n ASP 110 N 1.53 1.15 -4.64 2.53 3.85 0.12 -4.80 116.55 116.30 3g6a n ASP 110 Ca 0.05 0.20 -0.34 0.00 -0.71 0.00 0.00 54.79 53.99 3g6a n ASP 110 Cb 0.38 -0.47 -0.10 0.00 -1.35 0.00 0.00 41.12 39.58 3g6a n ASP 110 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 3g6a s TYR 111 N -2.31 3.06 0.07 2.11 2.02 -1.24 -4.98 117.35 116.07 3g6a s TYR 111 Ca -0.21 0.12 0.08 0.00 -0.37 0.00 0.00 57.07 56.68 3g6a s TYR 111 Cb 0.08 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.86 3g6a s TYR 111 CO 0.27 0.41 -0.20 -1.58 -1.57 0.00 0.00 175.55 172.88 3g6a s TRP 112 N -0.87 1.77 0.10 2.71 0.52 -1.26 -1.19 118.94 120.72 3g6a s TRP 112 Ca 0.13 -0.39 -0.02 0.00 0.02 0.00 0.00 56.10 55.84 3g6a s TRP 112 Cb -0.11 -1.02 0.02 0.00 -1.15 0.00 0.00 33.47 31.22 3g6a s TRP 112 CO 0.02 0.14 0.12 0.41 0.02 0.00 0.00 176.95 177.66 3g6a n GLY 113 N 1.50 -1.56 0.11 0.98 0.00 -0.51 -4.82 105.19 100.88 3g6a n GLY 113 Ca -0.18 -1.61 0.12 0.00 0.00 0.00 0.00 46.02 44.35 3g6a n GLY 113 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3g6a h GLN 114 N 0.00 0.00 0.00 1.61 1.08 -1.91 -3.46 115.11 112.43 3g6a h GLN 114 Ca -0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3g6a h GLN 114 Cb 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 3g6a h GLN 114 CO 0.03 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.32 3g6a n GLY 115 N 1.23 1.30 3.06 3.46 0.00 -1.26 -4.96 105.19 108.02 3g6a n GLY 115 Ca 0.01 -1.90 -0.23 0.00 0.00 0.00 0.00 46.02 43.90 3g6a n GLY 115 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3g6a s THR 116 N -2.46 1.08 -0.06 2.61 -1.32 0.17 -4.76 115.64 110.89 3g6a s THR 116 Ca 0.00 -0.52 -0.27 0.00 -1.21 0.00 0.00 61.69 59.69 3g6a s THR 116 Cb 0.00 -0.94 -0.03 0.00 -1.51 0.00 0.00 72.50 70.02 3g6a s THR 116 CO 0.00 0.32 0.89 -0.22 -2.21 0.00 0.00 174.62 173.40 3g6a s LEU 117 N 0.14 4.31 -0.21 9.08 2.96 -1.26 -1.34 118.68 132.36 3g6a s LEU 117 Ca -0.04 1.44 0.00 0.00 -0.22 0.00 0.00 54.13 55.32 3g6a s LEU 117 Cb -0.10 -3.39 0.02 0.00 0.50 0.00 0.00 46.19 43.23 3g6a s LEU 117 CO 0.01 -0.27 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.94 3g6a s VAL 118 N 1.26 2.35 -0.23 1.68 1.01 -0.69 -1.04 120.40 124.76 3g6a s VAL 118 Ca 0.45 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 3g6a s VAL 118 Cb -0.19 -2.09 -0.00 0.00 0.00 0.00 0.00 36.38 34.10 3g6a s VAL 118 CO 0.22 0.39 -0.05 -0.89 0.00 0.00 0.00 175.10 174.77 3g6a s THR 119 N 1.29 3.27 -0.30 3.92 2.01 -0.68 -1.63 115.64 123.52 3g6a s THR 119 Ca 0.02 -0.60 -0.06 0.00 0.31 0.00 0.00 61.69 61.36 3g6a s THR 119 Cb -0.15 -2.52 0.02 0.00 0.01 0.00 0.00 72.50 69.86 3g6a s THR 119 CO -0.09 0.38 0.07 -0.69 -0.69 0.00 0.00 174.62 173.59 3g6a s VAL 120 N 1.45 3.76 -0.08 3.82 1.01 -1.26 -1.98 120.40 127.12 3g6a s VAL 120 Ca 0.05 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 3g6a s VAL 120 Cb -0.15 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.26 3g6a s VAL 120 CO -0.04 0.02 0.25 -0.55 0.00 0.00 0.00 175.10 174.78 3g6a s SER 121 N 1.45 -0.23 0.00 3.32 0.15 -0.53 -4.43 113.70 113.43 3g6a s SER 121 Ca 0.01 0.39 0.27 0.00 0.70 0.00 0.00 55.95 57.32 3g6a s SER 121 Cb -0.18 0.46 1.23 0.00 -1.71 0.00 0.00 66.02 65.83 3g6a s SER 121 CO 0.02 -0.16 1.84 -1.54 1.20 0.00 0.00 173.24 174.59 3g6a n SER 122 N 2.60 0.97 -4.76 5.45 3.41 -1.26 -4.25 113.62 115.77 3g6a n SER 122 Ca -0.15 -1.39 -0.39 0.00 -0.26 0.00 0.00 58.87 56.67 3g6a n SER 122 Cb 0.58 -0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.52 3g6a n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g6a s ALA 123 N -1.96 3.17 0.40 7.33 0.00 -1.26 -5.03 121.76 124.41 3g6a s ALA 123 Ca 0.39 1.33 -0.08 0.00 0.00 0.00 0.00 51.96 53.59 3g6a s ALA 123 Cb 0.20 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 3g6a s ALA 123 CO 0.32 -1.05 0.73 -1.12 0.00 0.00 0.00 175.76 174.63 3g6a s SER 124 N -0.71 6.44 0.28 0.00 0.01 -1.26 -5.03 113.70 113.43 3g6a s SER 124 Ca 0.61 0.99 -0.30 0.00 1.31 0.00 0.00 55.95 58.56 3g6a s SER 124 Cb -0.40 -2.26 -0.12 0.00 0.21 0.00 0.00 66.02 63.45 3g6a s SER 124 CO 0.51 -0.40 1.64 -0.89 0.41 0.00 0.00 173.24 174.51 3g6a s THR 125 N -2.40 2.01 -0.22 1.44 2.01 -1.26 -4.65 115.64 112.58 3g6a s THR 125 Ca 0.49 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 62.38 3g6a s THR 125 Cb -0.10 -3.01 0.07 0.00 0.01 0.00 0.00 72.50 69.47 3g6a s THR 125 CO 0.34 0.00 0.52 -0.75 -0.69 0.00 0.00 174.62 174.04 3g6a s LYS 126 N -0.10 0.51 0.50 4.92 2.20 0.85 -4.93 119.74 123.69 3g6a s LYS 126 Ca 0.66 0.98 -0.19 0.00 -0.36 0.00 0.00 55.97 57.06 3g6a s LYS 126 Cb -0.49 0.08 -0.08 0.00 -1.51 0.00 0.00 37.83 35.83 3g6a s LYS 126 CO 0.44 -0.16 1.02 0.20 -0.36 0.00 0.00 175.35 176.50 3g6a s GLY 127 N 1.59 2.40 0.68 5.54 0.00 -1.26 -1.22 107.32 115.04 3g6a s GLY 127 Ca -0.09 0.51 -0.13 0.00 0.00 0.00 0.00 44.72 45.00 3g6a s GLY 127 CO -0.16 0.82 1.08 2.56 0.00 0.00 0.00 173.10 177.41 3g6a s PRO 128 N -3.42 2.81 -0.06 2.90 0.04 -1.26 -4.62 135.00 131.39 3g6a s PRO 128 Ca 0.65 1.22 -0.15 0.00 0.04 0.00 0.00 61.00 62.76 3g6a s PRO 128 Cb -0.15 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 3g6a s PRO 128 CO 0.22 -1.22 0.38 -1.12 0.04 0.00 0.00 177.00 175.31 3g6a s SER 129 N -3.03 6.68 -0.20 6.66 0.01 0.53 -4.90 113.70 119.45 3g6a s SER 129 Ca 0.63 0.81 -0.03 0.00 1.31 0.00 0.00 55.95 58.68 3g6a s SER 129 Cb -0.17 -2.23 -0.01 0.00 0.21 0.00 0.00 66.02 63.81 3g6a s SER 129 CO 0.46 0.21 -0.07 -0.69 0.41 0.00 0.00 173.24 173.56 3g6a s VAL 130 N -0.40 3.19 0.07 3.43 1.01 -1.26 -0.97 120.40 125.48 3g6a s VAL 130 Ca 0.22 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.72 3g6a s VAL 130 Cb -0.15 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 3g6a s VAL 130 CO 0.10 0.46 -0.20 -0.36 0.00 0.00 0.00 175.10 175.10 3g6a s PHE 131 N 1.22 2.51 0.35 5.22 0.40 -0.28 -4.97 117.98 122.43 3g6a s PHE 131 Ca 0.02 -0.28 -0.23 0.00 -0.60 0.00 0.00 56.93 55.84 3g6a s PHE 131 Cb -0.14 -1.40 -0.10 0.00 0.51 0.00 0.00 43.02 41.88 3g6a s PHE 131 CO -0.03 0.29 0.91 -1.25 0.70 0.00 0.00 175.22 175.84 3g6a s PRO 132 N -1.69 4.40 -0.56 0.24 0.04 -1.26 -0.63 135.00 135.53 3g6a s PRO 132 Ca 0.15 1.17 -0.01 0.00 0.04 0.00 0.00 61.00 62.35 3g6a s PRO 132 Cb -0.10 -2.59 0.15 0.00 0.04 0.00 0.00 34.50 31.99 3g6a s PRO 132 CO 0.07 0.19 0.36 -0.51 0.04 0.00 0.00 177.00 177.14 3g6a s LEU 133 N -2.46 5.07 0.55 -3.56 1.43 -0.23 -4.82 118.68 114.66 3g6a s LEU 133 Ca 0.53 -2.72 -0.21 0.00 -1.03 0.00 0.00 54.13 50.71 3g6a s LEU 133 Cb -0.15 -1.81 -0.05 0.00 0.03 0.00 0.00 46.19 44.22 3g6a s LEU 133 CO 0.20 -0.38 1.25 0.00 0.23 0.00 0.00 176.35 177.65 3g6a s ALA 134 N 0.14 2.72 0.30 4.21 0.00 -1.26 -1.22 121.76 126.64 3g6a s ALA 134 Ca 0.15 1.11 -0.29 0.00 0.00 0.00 0.00 51.96 52.94 3g6a s ALA 134 Cb -0.22 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.32 3g6a s ALA 134 CO -0.03 -1.15 1.24 -1.25 0.00 0.00 0.00 175.76 174.57 3g6a s PRO 135 N -3.05 4.45 0.00 0.00 0.04 -1.26 -4.83 135.00 130.34 3g6a s PRO 135 Ca 0.73 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.84 3g6a s PRO 135 Cb -0.34 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.08 3g6a s PRO 135 CO 0.39 -0.06 0.00 0.45 0.04 0.00 0.00 177.00 177.81 3g6a n SER 136 N 1.07 0.00 -4.02 6.66 2.88 -1.26 -4.80 113.62 114.15 3g6a n SER 136 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 3g6a n SER 136 Cb 0.43 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.72 3g6a n SER 136 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3g6a s SER 137 N 0.66 1.87 0.22 -3.46 0.01 -1.26 -4.99 113.70 106.75 3g6a s SER 137 Ca 0.00 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.95 3g6a s SER 137 Cb 0.00 -0.85 0.00 0.00 0.21 0.00 0.00 66.02 65.38 3g6a s SER 137 CO 0.00 0.02 0.00 1.17 0.41 0.00 0.00 173.24 174.84 3g6a n LYS 138 N 3.93 0.00 0.00 12.44 4.81 -1.26 -5.08 118.16 133.01 3g6a n LYS 138 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.22 3g6a n LYS 138 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 3g6a n LYS 138 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3g6a n SER 139 N -3.05 0.00 0.00 3.14 7.64 -1.26 -5.17 113.62 114.92 3g6a n SER 139 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3g6a n SER 139 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3g6a n SER 139 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3g6a n THR 140 N 0.00 0.00 -1.73 0.44 5.66 -1.26 -5.04 114.28 112.35 3g6a n THR 140 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 3g6a n THR 140 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 3g6a n THR 140 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3g6a n SER 141 N 0.00 3.83 0.00 1.09 3.41 -1.26 -1.35 113.62 119.33 3g6a n SER 141 Ca 0.00 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.73 3g6a n SER 141 Cb 0.00 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 62.37 3g6a n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g6a n GLY 142 N 2.64 0.63 0.00 5.00 0.00 -1.26 -4.98 105.19 107.21 3g6a n GLY 142 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3g6a n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g6a n GLY 143 N -1.96 2.07 3.71 -0.02 0.00 -0.46 -4.96 105.19 103.57 3g6a n GLY 143 Ca 0.00 -1.98 -0.23 0.00 0.00 0.00 0.00 46.02 43.81 3g6a n GLY 143 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g6a s THR 144 N 2.38 3.32 0.06 2.61 -4.23 -1.26 -1.18 115.64 117.34 3g6a s THR 144 Ca 0.00 -1.74 0.01 0.00 -1.18 0.00 0.00 61.69 58.78 3g6a s THR 144 Cb 0.00 -2.97 -0.03 0.00 1.34 0.00 0.00 72.50 70.83 3g6a s THR 144 CO 0.00 -0.27 -0.06 0.00 -0.54 0.00 0.00 174.62 173.76 3g6a s ALA 145 N -2.36 0.61 -0.11 3.99 0.00 0.24 -4.19 121.76 119.93 3g6a s ALA 145 Ca 0.35 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.32 3g6a s ALA 145 Cb -0.04 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 3g6a s ALA 145 CO 0.22 -0.18 -0.19 0.00 0.00 0.00 0.00 175.76 175.60 3g6a s ALA 146 N -2.61 2.37 0.09 0.00 0.00 -1.26 -0.01 121.76 120.33 3g6a s ALA 146 Ca -0.01 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 3g6a s ALA 146 Cb -0.02 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 3g6a s ALA 146 CO -0.04 0.28 0.01 -0.48 0.00 0.00 0.00 175.76 175.53 3g6a s LEU 147 N 0.32 2.19 0.00 0.00 0.05 -0.76 -4.27 118.68 116.21 3g6a s LEU 147 Ca -0.15 -1.09 0.00 0.00 0.05 0.00 0.00 54.13 52.94 3g6a s LEU 147 Cb -0.17 0.23 0.00 0.00 -2.05 0.00 0.00 46.19 44.20 3g6a s LEU 147 CO 0.07 -0.65 0.00 0.61 -0.55 0.00 0.00 176.35 175.83 3g6a n GLY 148 N 0.02 2.29 3.02 -3.48 0.00 -0.36 0.11 105.19 106.80 3g6a n GLY 148 Ca -0.10 -0.99 -0.19 0.00 0.00 0.00 0.00 46.02 44.74 3g6a n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6a s LEU 150 N -0.19 3.83 -0.46 0.00 2.96 0.19 -1.60 118.68 123.42 3g6a s LEU 150 Ca 0.03 -0.27 -0.10 0.00 -0.22 0.00 0.00 54.13 53.57 3g6a s LEU 150 Cb -0.04 -2.00 0.10 0.00 0.50 0.00 0.00 46.19 44.75 3g6a s LEU 150 CO -0.00 -0.10 0.33 -0.69 -1.32 0.00 0.00 176.35 174.57 3g6a s VAL 151 N 1.65 4.36 -0.17 1.68 1.01 0.80 -1.12 120.40 128.60 3g6a s VAL 151 Ca 0.06 -1.59 -0.08 0.00 0.00 0.00 0.00 61.98 60.37 3g6a s VAL 151 Cb -0.16 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 3g6a s VAL 151 CO 0.06 -0.68 0.09 -0.75 0.00 0.00 0.00 175.10 173.82 3g6a s LYS 152 N 1.42 3.91 -0.49 2.72 2.20 -0.14 -0.41 119.74 128.95 3g6a s LYS 152 Ca 0.04 -0.28 -0.00 0.00 -0.36 0.00 0.00 55.97 55.37 3g6a s LYS 152 Cb -0.25 -3.24 -0.00 0.00 -1.51 0.00 0.00 37.83 32.82 3g6a s LYS 152 CO 0.01 0.38 0.46 -0.25 -0.36 0.00 0.00 175.35 175.59 3g6a n ASP 153 N 3.22 -5.69 -4.43 1.43 8.00 0.93 -0.35 116.55 119.66 3g6a n ASP 153 Ca -0.17 -0.07 -0.21 0.00 0.71 0.00 0.00 54.79 55.05 3g6a n ASP 153 Cb 0.53 -3.76 -0.10 0.00 -0.02 0.00 0.00 41.12 37.76 3g6a n ASP 153 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3g6a s TYR 154 N -3.01 1.94 -0.26 1.24 1.13 -0.42 -4.19 117.35 113.77 3g6a s TYR 154 Ca 0.02 -0.81 -0.26 0.00 -1.41 0.00 0.00 57.07 54.61 3g6a s TYR 154 Cb -0.00 -1.18 0.13 0.00 -1.10 0.00 0.00 41.96 39.80 3g6a s TYR 154 CO 0.48 0.16 1.05 0.12 -2.51 0.00 0.00 175.55 174.85 3g6a s PHE 155 N -3.14 -0.44 0.91 -3.49 5.36 -0.36 0.05 117.98 116.88 3g6a s PHE 155 Ca 0.32 1.02 -0.12 0.00 -0.96 0.00 0.00 56.93 57.20 3g6a s PHE 155 Cb 0.06 0.38 0.20 0.00 -0.34 0.00 0.00 43.02 43.32 3g6a s PHE 155 CO 0.13 -0.24 1.25 -1.25 -1.46 0.00 0.00 175.22 173.65 3g6a s PRO 156 N 0.00 0.74 0.97 10.12 0.04 -1.26 -0.11 135.00 145.51 3g6a s PRO 156 Ca 0.03 -0.74 -0.11 0.00 0.04 0.00 0.00 61.00 60.21 3g6a s PRO 156 Cb -0.04 -1.98 0.18 0.00 0.04 0.00 0.00 34.50 32.69 3g6a s PRO 156 CO -0.05 -2.26 1.11 -1.21 0.04 0.00 0.00 177.00 174.62 3g6a s GLU 157 N -5.71 0.57 0.45 4.56 0.41 -1.26 -4.79 118.70 112.93 3g6a s GLU 157 Ca 0.74 1.28 0.08 0.00 -0.41 0.00 0.00 54.97 56.65 3g6a s GLU 157 Cb -0.03 -1.70 0.02 0.00 -1.78 0.00 0.00 34.13 30.65 3g6a s GLU 157 CO 0.51 -2.85 0.58 -1.25 -0.49 0.00 0.00 175.26 171.76 3g6a s PRO 158 N -4.63 2.68 0.06 0.39 0.04 -1.26 -4.97 135.00 127.30 3g6a s PRO 158 Ca 0.67 -1.38 0.08 0.00 0.04 0.00 0.00 61.00 60.41 3g6a s PRO 158 Cb -0.23 -2.67 -0.03 0.00 0.04 0.00 0.00 34.50 31.62 3g6a s PRO 158 CO 0.60 -0.37 -0.21 0.08 0.04 0.00 0.00 177.00 177.13 3g6a s VAL 159 N -2.44 1.69 -0.06 -0.36 1.01 -1.26 -4.49 120.40 114.50 3g6a s VAL 159 Ca 0.55 -1.31 0.03 0.00 0.00 0.00 0.00 61.98 61.25 3g6a s VAL 159 Cb -0.08 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 3g6a s VAL 159 CO 0.33 0.13 -0.15 -0.89 0.00 0.00 0.00 175.10 174.51 3g6a s THR 160 N -0.91 2.95 -0.11 3.92 2.01 0.11 -4.97 115.64 118.64 3g6a s THR 160 Ca 0.07 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.34 3g6a s THR 160 Cb -0.09 -2.16 0.01 0.00 0.01 0.00 0.00 72.50 70.27 3g6a s THR 160 CO 0.03 0.58 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.66 3g6a s VAL 161 N -0.55 1.73 0.46 3.82 1.01 -1.26 -0.58 120.40 125.02 3g6a s VAL 161 Ca 0.08 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.29 3g6a s VAL 161 Cb -0.11 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 3g6a s VAL 161 CO 0.01 0.49 0.03 -0.94 0.00 0.00 0.00 175.10 174.69 3g6a s SER 162 N 0.70 3.71 -0.06 3.32 1.04 0.06 -4.98 113.70 117.48 3g6a s SER 162 Ca -0.12 -1.57 0.04 0.00 0.48 0.00 0.00 55.95 54.78 3g6a s SER 162 Cb -0.16 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.22 3g6a s SER 162 CO 0.02 -0.75 -0.18 0.26 0.98 0.00 0.00 173.24 173.57 3g6a s TRP 163 N -2.93 1.90 -1.36 5.02 0.52 -1.26 -0.30 118.94 120.54 3g6a s TRP 163 Ca 0.18 -0.66 -0.07 0.00 0.02 0.00 0.00 56.10 55.57 3g6a s TRP 163 Cb 0.04 -1.30 0.00 0.00 -1.15 0.00 0.00 33.47 31.07 3g6a s TRP 163 CO 0.09 -0.26 0.45 0.09 0.02 0.00 0.00 176.95 177.34 3g6a n ASN 164 N 3.41 -1.40 -1.66 2.95 3.02 0.93 -1.94 115.26 120.57 3g6a n ASN 164 Ca -0.20 -1.08 -0.21 0.00 -0.03 0.00 0.00 54.58 53.06 3g6a n ASN 164 Cb 0.52 -2.74 -0.08 0.00 -0.61 0.00 0.00 39.78 36.87 3g6a n ASN 164 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3g6a n SER 165 N -2.83 -5.56 0.00 6.41 7.64 -1.26 -1.57 113.62 116.46 3g6a n SER 165 Ca -0.25 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.11 3g6a n SER 165 Cb 0.66 -4.88 0.00 0.00 -1.01 0.00 0.00 64.21 58.98 3g6a n SER 165 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3g6a n GLY 166 N -0.43 2.38 0.27 0.23 0.00 -0.82 -4.94 105.19 101.89 3g6a n GLY 166 Ca -0.21 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.94 3g6a n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6a h ALA 167 N 0.00 1.45 -3.23 4.61 0.00 -1.29 -3.39 119.26 117.40 3g6a h ALA 167 Ca 0.00 -0.07 -0.67 0.00 0.00 0.00 0.00 54.91 54.17 3g6a h ALA 167 Cb 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 17.79 17.46 3g6a h ALA 167 CO 0.00 0.09 -0.74 -1.17 0.00 0.00 0.00 179.25 177.43 3g6a s LEU 168 N -7.63 3.18 0.00 0.00 2.96 -0.99 -4.89 118.68 111.31 3g6a s LEU 168 Ca -0.04 -0.83 0.00 0.00 -0.22 0.00 0.00 54.13 53.04 3g6a s LEU 168 Cb 0.14 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 45.16 3g6a s LEU 168 CO 0.58 -0.12 0.00 0.35 -1.32 0.00 0.00 176.35 175.84 3g6a n THR 169 N 4.69 0.00 -2.41 3.68 -2.24 -1.26 -4.08 114.28 112.66 3g6a n THR 169 Ca -0.17 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.21 3g6a n THR 169 Cb 0.47 -0.38 -0.04 0.00 -2.10 0.00 0.00 70.33 68.29 3g6a n THR 169 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3g6a s SER 170 N -1.91 7.14 0.00 3.42 0.15 -1.26 -2.93 113.70 118.31 3g6a s SER 170 Ca 0.00 2.24 0.00 0.00 0.70 0.00 0.00 55.95 58.89 3g6a s SER 170 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 3g6a s SER 170 CO 0.00 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.75 3g6a n GLY 171 N 1.86 1.02 3.68 9.45 0.00 -1.26 -4.85 105.19 115.08 3g6a n GLY 171 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3g6a n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g6a s VAL 172 N -3.46 5.06 -0.24 1.61 1.01 -1.15 -1.45 120.40 121.78 3g6a s VAL 172 Ca 0.00 1.16 0.01 0.00 0.00 0.00 0.00 61.98 63.15 3g6a s VAL 172 Cb 0.00 -3.93 0.06 0.00 0.00 0.00 0.00 36.38 32.51 3g6a s VAL 172 CO 0.00 0.18 -0.06 -2.28 0.00 0.00 0.00 175.10 172.94 3g6a s HIS 173 N 1.46 2.54 -0.21 5.22 2.46 0.26 -5.00 115.29 122.02 3g6a s HIS 173 Ca 0.29 -1.85 -0.08 0.00 0.47 0.00 0.00 55.06 53.89 3g6a s HIS 173 Cb -0.16 -1.64 -0.04 0.00 -0.13 0.00 0.00 32.58 30.61 3g6a s HIS 173 CO 0.12 -0.79 0.09 0.99 -2.47 0.00 0.00 174.74 172.67 3g6a s THR 174 N 1.35 4.84 0.08 0.89 2.01 -1.26 -1.10 115.64 122.45 3g6a s THR 174 Ca -0.06 -0.01 -0.11 0.00 0.31 0.00 0.00 61.69 61.82 3g6a s THR 174 Cb -0.19 -3.22 -0.06 0.00 0.01 0.00 0.00 72.50 69.04 3g6a s THR 174 CO -0.06 0.40 0.42 -0.36 -0.69 0.00 0.00 174.62 174.33 3g6a s PHE 175 N 0.83 3.60 0.53 4.92 0.08 0.25 -4.99 117.98 123.20 3g6a s PHE 175 Ca 0.05 0.84 -0.20 0.00 0.12 0.00 0.00 56.93 57.74 3g6a s PHE 175 Cb -0.13 -2.20 -0.08 0.00 -0.57 0.00 0.00 43.02 40.04 3g6a s PHE 175 CO 0.02 0.52 0.79 -2.30 -0.10 0.00 0.00 175.22 174.16 3g6a n PRO 176 N 1.00 0.85 -2.32 0.24 -0.02 -1.26 -4.25 135.00 129.25 3g6a n PRO 176 Ca -0.08 0.32 -0.33 0.00 -2.02 0.00 0.00 63.50 61.38 3g6a n PRO 176 Cb 0.52 -1.92 -0.01 0.00 -0.02 0.00 0.00 33.50 32.06 3g6a n PRO 176 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g6a s ALA 177 N -1.52 2.81 -0.07 3.55 0.00 -1.26 -4.78 121.76 120.49 3g6a s ALA 177 Ca 0.69 0.51 -0.17 0.00 0.00 0.00 0.00 51.96 53.00 3g6a s ALA 177 Cb -0.48 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.35 3g6a s ALA 177 CO 0.53 -0.54 0.45 0.08 0.00 0.00 0.00 175.76 176.27 3g6a s VAL 178 N -2.19 5.11 -0.47 0.00 1.01 0.56 -4.91 120.40 119.51 3g6a s VAL 178 Ca 0.66 0.90 -0.23 0.00 0.00 0.00 0.00 61.98 63.31 3g6a s VAL 178 Cb -0.16 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.47 3g6a s VAL 178 CO 0.28 0.43 0.78 -0.22 0.00 0.00 0.00 175.10 176.36 3g6a s LEU 179 N -0.06 4.32 0.93 3.92 2.96 -1.26 -1.60 118.68 127.88 3g6a s LEU 179 Ca 0.25 -0.24 -0.15 0.00 -0.22 0.00 0.00 54.13 53.77 3g6a s LEU 179 Cb -0.16 -2.88 0.18 0.00 0.50 0.00 0.00 46.19 43.84 3g6a s LEU 179 CO 0.11 -0.94 1.29 -1.10 -1.32 0.00 0.00 176.35 174.39 3g6a s GLN 180 N 3.28 0.87 0.26 1.98 -0.21 -0.56 -4.93 119.66 120.35 3g6a s GLN 180 Ca 0.28 -0.38 0.03 0.00 0.02 0.00 0.00 55.36 55.31 3g6a s GLN 180 Cb -0.13 -1.89 0.35 0.00 1.00 0.00 0.00 33.01 32.35 3g6a s GLN 180 CO 0.21 -2.26 1.66 0.77 -2.12 0.00 0.00 175.29 173.55 3g6a h SER 181 N -1.51 0.42 0.00 5.90 0.02 -1.98 -2.14 113.55 114.27 3g6a h SER 181 Ca -0.44 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.33 3g6a h SER 181 Cb 1.25 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.67 3g6a h SER 181 CO 0.42 0.77 0.21 -1.54 -1.14 0.00 0.00 176.83 175.55 3g6a n SER 182 N -4.04 0.23 0.00 3.07 3.41 -1.26 -4.80 113.62 110.23 3g6a n SER 182 Ca -0.01 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 3g6a n SER 182 Cb 0.48 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 3g6a n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g6a n GLY 183 N -1.30 0.48 3.84 5.00 0.00 -0.80 -4.85 105.19 107.55 3g6a n GLY 183 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3g6a n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g6a s LEU 184 N 0.00 4.04 0.31 0.99 1.43 -1.26 -4.80 118.68 119.39 3g6a s LEU 184 Ca 0.00 0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.26 3g6a s LEU 184 Cb 0.00 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.55 3g6a s LEU 184 CO 0.00 0.19 0.46 -0.31 0.23 0.00 0.00 176.35 176.92 3g6a s TYR 185 N -1.41 3.39 -0.01 0.29 1.51 0.11 -1.49 117.35 119.73 3g6a s TYR 185 Ca 0.31 0.08 -0.07 0.00 -1.01 0.00 0.00 57.07 56.38 3g6a s TYR 185 Cb -0.12 -1.80 0.00 0.00 -0.11 0.00 0.00 41.96 39.93 3g6a s TYR 185 CO 0.23 0.20 0.14 -1.12 -1.11 0.00 0.00 175.55 173.89 3g6a s SER 186 N -4.05 -0.02 0.31 2.29 0.01 -0.63 -0.05 113.70 111.57 3g6a s SER 186 Ca 0.39 -0.07 -0.03 0.00 1.31 0.00 0.00 55.95 57.55 3g6a s SER 186 Cb -0.09 0.23 -0.01 0.00 0.21 0.00 0.00 66.02 66.36 3g6a s SER 186 CO 0.32 -0.28 0.41 -1.48 0.41 0.00 0.00 173.24 172.62 3g6a s LEU 187 N -0.98 1.00 0.05 2.44 0.05 0.46 -0.32 118.68 121.37 3g6a s LEU 187 Ca -0.11 -1.41 0.03 0.00 0.05 0.00 0.00 54.13 52.68 3g6a s LEU 187 Cb -0.06 1.28 -0.02 0.00 -2.05 0.00 0.00 46.19 45.34 3g6a s LEU 187 CO 0.01 -1.19 -0.09 -0.44 -0.55 0.00 0.00 176.35 174.09 3g6a s SER 188 N -3.21 0.99 -0.04 1.48 0.01 -1.26 -0.14 113.70 111.54 3g6a s SER 188 Ca 0.31 -0.56 0.01 0.00 1.31 0.00 0.00 55.95 57.02 3g6a s SER 188 Cb 0.01 0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.28 3g6a s SER 188 CO 0.18 -0.18 -0.04 -0.55 0.41 0.00 0.00 173.24 173.06 3g6a s SER 189 N -1.61 0.77 0.02 2.44 0.15 -0.63 -0.58 113.70 114.26 3g6a s SER 189 Ca -0.09 -0.10 0.08 0.00 0.70 0.00 0.00 55.95 56.54 3g6a s SER 189 Cb -0.10 -0.35 -0.02 0.00 -1.71 0.00 0.00 66.02 63.83 3g6a s SER 189 CO 0.01 -0.05 -0.23 0.68 1.20 0.00 0.00 173.24 174.85 3g6a s VAL 190 N 0.81 1.82 -0.02 4.45 -7.23 -0.26 -0.19 120.40 119.79 3g6a s VAL 190 Ca -0.10 -1.17 0.08 0.00 -1.81 0.00 0.00 61.98 58.97 3g6a s VAL 190 Cb -0.13 -1.55 -0.02 0.00 0.56 0.00 0.00 36.38 35.24 3g6a s VAL 190 CO -0.00 0.34 -0.25 0.54 -0.31 0.00 0.00 175.10 175.42 3g6a s VAL 191 N -0.71 1.99 -0.15 1.32 0.11 0.12 -0.57 120.40 122.50 3g6a s VAL 191 Ca 0.09 -1.07 -0.08 0.00 -2.93 0.00 0.00 61.98 57.99 3g6a s VAL 191 Cb -0.09 -1.66 -0.04 0.00 -1.53 0.00 0.00 36.38 33.06 3g6a s VAL 191 CO 0.01 0.56 0.12 0.42 -3.33 0.00 0.00 175.10 172.88 3g6a s THR 192 N -0.55 5.29 0.16 5.04 -4.23 -0.53 -1.83 115.64 119.00 3g6a s THR 192 Ca 0.08 0.13 -0.06 0.00 -1.18 0.00 0.00 61.69 60.67 3g6a s THR 192 Cb -0.10 -3.34 -0.02 0.00 1.34 0.00 0.00 72.50 70.37 3g6a s THR 192 CO -0.01 0.54 0.21 0.68 -0.54 0.00 0.00 174.62 175.51 3g6a s VAL 193 N -0.39 0.06 0.24 2.29 -7.23 0.99 -4.75 120.40 111.62 3g6a s VAL 193 Ca 0.11 -1.61 -0.30 0.00 -1.81 0.00 0.00 61.98 58.36 3g6a s VAL 193 Cb -0.12 -2.00 -0.11 0.00 0.56 0.00 0.00 36.38 34.72 3g6a s VAL 193 CO 0.01 -0.29 1.54 -2.84 -0.31 0.00 0.00 175.10 173.21 3g6a s PRO 194 N -4.02 4.20 0.28 4.82 0.02 -1.26 0.81 135.00 139.84 3g6a s PRO 194 Ca 0.22 2.43 -0.00 0.00 0.02 0.00 0.00 61.00 63.67 3g6a s PRO 194 Cb 0.05 -3.09 0.50 0.00 0.02 0.00 0.00 34.50 31.98 3g6a s PRO 194 CO 0.03 -0.56 1.86 0.77 -0.33 0.00 0.00 177.00 178.77 3g6a h SER 195 N 5.51 0.97 0.52 2.53 0.02 -1.39 -1.73 113.55 119.98 3g6a h SER 195 Ca -0.45 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3g6a h SER 195 Cb 1.21 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 3g6a h SER 195 CO 0.83 0.57 -0.00 0.77 -1.14 0.00 0.00 176.83 177.86 3g6a h SER 196 N 1.07 0.00 0.77 3.07 4.64 -1.88 -0.89 113.55 120.33 3g6a h SER 196 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 3g6a h SER 196 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3g6a h SER 196 CO -0.21 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.55 3g6a n SER 197 N -3.10 0.21 -4.75 4.97 7.64 -0.65 -4.71 113.62 113.23 3g6a n SER 197 Ca -0.01 0.54 -0.41 0.00 1.01 0.00 0.00 58.87 60.00 3g6a n SER 197 Cb 0.19 -0.59 -0.03 0.00 -1.01 0.00 0.00 64.21 62.77 3g6a n SER 197 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3g6a s LEU 198 N -3.44 4.49 0.00 -3.43 1.43 -0.34 -1.49 118.68 115.90 3g6a s LEU 198 Ca 0.09 2.37 0.00 0.00 -1.03 0.00 0.00 54.13 55.56 3g6a s LEU 198 Cb 0.12 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.72 3g6a s LEU 198 CO 0.39 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.26 3g6a n GLY 199 N 1.42 0.00 0.04 -3.19 0.00 -1.26 -4.69 105.19 97.52 3g6a n GLY 199 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 3g6a n GLY 199 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3g6a n THR 200 N -1.84 0.58 -3.96 2.61 -2.24 -1.00 -5.05 114.28 103.38 3g6a n THR 200 Ca 0.00 -0.40 -0.31 0.00 -2.27 0.00 0.00 64.05 61.07 3g6a n THR 200 Cb 0.41 -0.57 -0.05 0.00 -2.10 0.00 0.00 70.33 68.02 3g6a n THR 200 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3g6a s GLN 201 N -2.33 3.27 0.00 -0.78 -1.52 -0.56 -5.11 119.66 112.64 3g6a s GLN 201 Ca -0.05 -0.49 0.01 0.00 -1.95 0.00 0.00 55.36 52.88 3g6a s GLN 201 Cb 0.04 -2.95 -0.04 0.00 -0.22 0.00 0.00 33.01 29.83 3g6a s GLN 201 CO 0.42 0.61 0.05 0.95 -0.25 0.00 0.00 175.29 177.07 3g6a s THR 202 N -1.43 4.49 -0.16 -0.19 -4.23 -1.26 -4.84 115.64 108.03 3g6a s THR 202 Ca 0.32 -0.51 -0.02 0.00 -1.18 0.00 0.00 61.69 60.30 3g6a s THR 202 Cb -0.13 -3.05 0.05 0.00 1.34 0.00 0.00 72.50 70.71 3g6a s THR 202 CO 0.24 0.34 -0.00 -0.31 -0.54 0.00 0.00 174.62 174.35 3g6a s TYR 203 N -1.17 1.20 -0.12 3.99 1.51 -1.26 -4.95 117.35 116.55 3g6a s TYR 203 Ca 0.22 -0.79 0.02 0.00 -1.01 0.00 0.00 57.07 55.51 3g6a s TYR 203 Cb -0.12 -1.08 0.01 0.00 -0.11 0.00 0.00 41.96 40.66 3g6a s TYR 203 CO 0.13 -0.55 -0.18 0.42 -1.11 0.00 0.00 175.55 174.26 3g6a s ILE 204 N 1.80 1.74 -0.01 2.71 1.01 -1.26 0.58 121.20 127.78 3g6a s ILE 204 Ca 0.01 -0.79 -0.15 0.00 0.00 0.00 0.00 60.65 59.73 3g6a s ILE 204 Cb -0.15 -1.57 -0.06 0.00 0.01 0.00 0.00 42.46 40.69 3g6a s ILE 204 CO -0.07 0.49 0.40 0.00 0.00 0.00 0.00 174.94 175.76 3g6a s ASN 206 N -1.04 4.51 -0.20 0.00 -0.87 0.59 -0.62 114.94 117.31 3g6a s ASN 206 Ca 0.24 -0.33 0.01 0.00 -1.57 0.00 0.00 52.86 51.20 3g6a s ASN 206 Cb -0.17 -1.78 0.02 0.00 -0.02 0.00 0.00 41.25 39.31 3g6a s ASN 206 CO 0.13 -0.01 -0.16 -0.69 -2.57 0.00 0.00 177.10 173.80 3g6a s VAL 207 N 1.42 2.27 -0.16 1.60 1.01 0.86 -0.76 120.40 126.64 3g6a s VAL 207 Ca 0.05 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 3g6a s VAL 207 Cb -0.14 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 3g6a s VAL 207 CO -0.01 0.42 -0.07 0.20 0.00 0.00 0.00 175.10 175.64 3g6a s ASN 208 N 1.28 4.44 -0.33 3.32 0.01 0.25 -0.56 114.94 123.36 3g6a s ASN 208 Ca 0.03 -0.25 -0.01 0.00 -0.71 0.00 0.00 52.86 51.92 3g6a s ASN 208 Cb -0.14 -1.72 0.11 0.00 0.41 0.00 0.00 41.25 39.90 3g6a s ASN 208 CO -0.10 0.13 0.12 -2.28 -1.51 0.00 0.00 177.10 173.45 3g6a s HIS 209 N 0.61 1.62 0.17 2.20 2.46 0.57 -0.71 115.29 122.20 3g6a s HIS 209 Ca -0.04 -1.76 -0.14 0.00 0.47 0.00 0.00 55.06 53.58 3g6a s HIS 209 Cb -0.15 -1.65 0.06 0.00 -0.13 0.00 0.00 32.58 30.71 3g6a s HIS 209 CO 0.03 -0.86 1.82 0.87 -2.47 0.00 0.00 174.74 174.13 3g6a h LYS 210 N 7.90 0.62 -1.00 2.88 1.57 -1.80 -0.28 116.57 126.45 3g6a h LYS 210 Ca -0.12 -0.04 0.25 0.00 -1.87 0.00 0.00 60.65 58.88 3g6a h LYS 210 Cb 1.00 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 33.10 3g6a h LYS 210 CO 0.46 0.41 0.67 -1.35 -0.57 0.00 0.00 179.45 179.07 3g6a h PRO 211 N 0.64 0.31 -0.43 3.15 0.11 -1.91 -0.23 132.00 133.63 3g6a h PRO 211 Ca 0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3g6a h PRO 211 Cb -0.04 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.00 3g6a h PRO 211 CO -0.06 0.20 0.00 -1.13 -0.21 0.00 0.00 178.00 176.81 3g6a n SER 212 N -4.51 3.36 -4.08 -2.05 3.41 -1.06 -4.95 113.62 103.75 3g6a n SER 212 Ca 0.23 -2.15 -0.30 0.00 -0.26 0.00 0.00 58.87 56.38 3g6a n SER 212 Cb 0.87 -0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 64.44 3g6a n SER 212 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3g6a n ASN 213 N 0.63 -0.69 -4.51 4.04 5.15 -0.10 -4.87 115.26 114.91 3g6a n ASN 213 Ca 0.16 -1.14 -0.34 0.00 -0.60 0.00 0.00 54.58 52.66 3g6a n ASN 213 Cb 0.55 -2.38 -0.12 0.00 -0.53 0.00 0.00 39.78 37.30 3g6a n ASN 213 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3g6a s THR 214 N -4.03 3.69 -0.19 -0.44 2.01 -0.14 -4.99 115.64 111.55 3g6a s THR 214 Ca 0.10 -0.45 -0.05 0.00 0.31 0.00 0.00 61.69 61.60 3g6a s THR 214 Cb -0.05 -2.57 0.07 0.00 0.01 0.00 0.00 72.50 69.96 3g6a s THR 214 CO 0.94 0.54 0.09 -0.54 -0.69 0.00 0.00 174.62 174.96 3g6a s LYS 215 N -0.09 0.13 -0.11 4.92 1.02 -1.26 -0.31 119.74 124.03 3g6a s LYS 215 Ca 0.01 -0.17 0.02 0.00 0.02 0.00 0.00 55.97 55.85 3g6a s LYS 215 Cb -0.13 -1.76 0.01 0.00 -0.52 0.00 0.00 37.83 35.43 3g6a s LYS 215 CO 0.03 -0.72 -0.18 0.08 -0.92 0.00 0.00 175.35 173.64 3g6a s VAL 216 N 2.11 1.68 -0.09 3.17 1.01 0.28 -4.97 120.40 123.59 3g6a s VAL 216 Ca 0.03 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 3g6a s VAL 216 Cb -0.16 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 3g6a s VAL 216 CO -0.13 0.48 0.29 -1.81 0.00 0.00 0.00 175.10 173.93 3g6a s ASP 217 N 0.87 6.55 -0.10 3.32 -0.00 -1.26 -0.10 116.67 125.95 3g6a s ASP 217 Ca -0.08 0.65 -0.01 0.00 -0.00 0.00 0.00 52.55 53.11 3g6a s ASP 217 Cb -0.15 -2.17 0.03 0.00 -0.00 0.00 0.00 42.92 40.62 3g6a s ASP 217 CO -0.00 0.26 -0.06 -0.75 -0.00 0.00 0.00 175.17 174.62 3g6a s LYS 218 N -0.48 1.31 0.03 8.23 2.47 0.20 -4.96 119.74 126.55 3g6a s LYS 218 Ca 0.18 -0.17 -0.30 0.00 -1.56 0.00 0.00 55.97 54.12 3g6a s LYS 218 Cb -0.14 -1.43 -0.05 0.00 -1.46 0.00 0.00 37.83 34.75 3g6a s LYS 218 CO 0.07 -0.27 1.12 0.21 0.16 0.00 0.00 175.35 176.65 3g6a s LYS 219 N 1.74 4.47 -0.34 4.03 2.20 -1.26 -0.58 119.74 129.99 3g6a s LYS 219 Ca 0.04 1.64 -0.07 0.00 -0.36 0.00 0.00 55.97 57.23 3g6a s LYS 219 Cb -0.13 -3.39 0.04 0.00 -1.51 0.00 0.00 37.83 32.84 3g6a s LYS 219 CO -0.07 -0.19 0.12 0.08 -0.36 0.00 0.00 175.35 174.92 3g6a s VAL 220 N 1.09 3.87 0.25 4.02 1.01 0.20 -4.85 120.40 125.99 3g6a s VAL 220 Ca 0.56 -1.11 0.11 0.00 0.00 0.00 0.00 61.98 61.54 3g6a s VAL 220 Cb -0.26 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 3g6a s VAL 220 CO 0.28 -0.19 -0.16 -1.83 0.00 0.00 0.00 175.10 173.20 3g6a s GLU 221 N 1.42 1.81 0.00 2.72 -1.05 -1.26 -4.47 118.70 117.87 3g6a s GLU 221 Ca -0.01 -1.61 0.01 0.00 -0.15 0.00 0.00 54.97 53.21 3g6a s GLU 221 Cb -0.20 -1.90 0.08 0.00 -0.44 0.00 0.00 34.13 31.68 3g6a s GLU 221 CO 0.03 0.36 0.58 -2.30 0.95 0.00 0.00 175.26 174.88