#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nyy s GLN 3 N 0.00 1.64 -0.13 5.55 1.03 -1.09 -5.01 119.66 121.65 2nyy s GLN 3 Ca 0.00 -0.92 -0.01 0.00 0.04 0.00 0.00 55.36 54.47 2nyy s GLN 3 Cb 0.00 0.58 0.04 0.00 0.03 0.00 0.00 33.01 33.66 2nyy s GLN 3 CO 0.00 -0.74 -0.03 -0.51 -2.54 0.00 0.00 175.29 171.48 2nyy s LEU 4 N -2.90 1.18 -0.35 2.60 1.43 -1.26 -2.15 118.68 117.24 2nyy s LEU 4 Ca 0.10 -0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 52.65 2nyy s LEU 4 Cb -0.04 -0.72 0.03 0.00 0.03 0.00 0.00 46.19 45.48 2nyy s LEU 4 CO 0.03 -0.19 0.15 -1.10 0.23 0.00 0.00 176.35 175.47 2nyy s GLN 5 N 1.78 2.85 -0.22 1.70 -1.52 -0.53 -4.16 119.66 119.55 2nyy s GLN 5 Ca 0.02 -1.05 -0.08 0.00 -1.95 0.00 0.00 55.36 52.31 2nyy s GLN 5 Cb -0.14 -3.58 -0.04 0.00 -0.22 0.00 0.00 33.01 29.03 2nyy s GLN 5 CO -0.07 -0.62 0.10 -1.83 -0.25 0.00 0.00 175.29 172.61 2nyy s GLU 6 N 1.50 3.89 0.44 2.91 1.03 -1.26 -0.80 118.70 126.41 2nyy s GLU 6 Ca 0.01 -0.37 0.04 0.00 0.03 0.00 0.00 54.97 54.68 2nyy s GLU 6 Cb -0.19 -3.35 -0.05 0.00 -0.80 0.00 0.00 34.13 29.74 2nyy s GLU 6 CO 0.05 0.04 0.02 -1.54 -1.33 0.00 0.00 175.26 172.50 2nyy s SER 7 N 1.03 3.72 0.00 0.83 1.04 -0.60 -4.56 113.70 115.15 2nyy s SER 7 Ca 0.05 -1.52 0.00 0.00 0.48 0.00 0.00 55.95 54.96 2nyy s SER 7 Cb -0.14 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.08 2nyy s SER 7 CO 0.03 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.18 2nyy n GLY 8 N -1.06 1.99 3.77 7.32 0.00 -1.26 -1.17 105.19 114.78 2nyy n GLY 8 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 2nyy n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2nyy s GLY 9 N -2.12 2.77 0.00 -0.02 0.00 -1.26 -4.76 107.32 101.92 2nyy s GLY 9 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 44.72 45.69 2nyy s GLY 9 CO 0.00 1.42 0.00 0.61 0.00 0.00 0.00 173.10 175.13 2nyy n GLY 10 N 0.44 -1.04 3.83 0.20 0.00 -0.76 -4.89 105.19 102.97 2nyy n GLY 10 Ca 0.09 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 2nyy n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2nyy s LEU 11 N 0.00 4.14 -0.27 0.99 2.96 -1.26 -2.45 118.68 122.79 2nyy s LEU 11 Ca 0.00 1.42 -0.24 0.00 -0.22 0.00 0.00 54.13 55.08 2nyy s LEU 11 Cb 0.00 -4.00 0.08 0.00 0.50 0.00 0.00 46.19 42.77 2nyy s LEU 11 CO 0.00 -0.15 0.79 -0.69 -1.32 0.00 0.00 176.35 174.98 2nyy s VAL 12 N -1.86 0.00 0.31 1.68 1.01 -0.91 -4.97 120.40 115.68 2nyy s VAL 12 Ca 0.52 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.21 2nyy s VAL 12 Cb -0.12 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.16 2nyy s VAL 12 CO 0.18 0.00 1.21 -1.10 0.00 0.00 0.00 175.10 175.39 2nyy s GLN 13 N 0.41 4.46 0.20 2.72 -1.52 -1.26 -1.95 119.66 122.72 2nyy s GLN 13 Ca 0.00 2.01 -0.31 0.00 -1.95 0.00 0.00 55.36 55.11 2nyy s GLN 13 Cb -0.05 -3.10 -0.16 0.00 -0.22 0.00 0.00 33.01 29.49 2nyy s GLN 13 CO -0.02 -0.02 1.00 -2.30 -0.25 0.00 0.00 175.29 173.70 2nyy n PRO 14 N 0.92 0.94 0.00 2.91 -0.02 -1.26 -0.53 135.00 137.96 2nyy n PRO 14 Ca -0.00 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2nyy n PRO 14 Cb 0.43 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 2nyy n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nyy n GLY 15 N 1.75 2.79 0.00 -1.23 0.00 0.17 -4.93 105.19 103.73 2nyy n GLY 15 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2nyy n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nyy n GLY 16 N -2.00 -1.27 3.28 -0.02 0.00 0.31 -3.67 105.19 101.83 2nyy n GLY 16 Ca 0.00 -1.55 -0.09 0.00 0.00 0.00 0.00 46.02 44.37 2nyy n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2nyy s SER 17 N -1.18 -0.00 -0.17 1.61 0.01 -1.26 -1.49 113.70 111.22 2nyy s SER 17 Ca 0.00 -0.62 -0.31 0.00 1.31 0.00 0.00 55.95 56.32 2nyy s SER 17 Cb 0.00 0.41 0.14 0.00 0.21 0.00 0.00 66.02 66.78 2nyy s SER 17 CO 0.00 -0.82 1.11 -0.22 0.41 0.00 0.00 173.24 173.73 2nyy s LEU 18 N -2.88 -0.23 -0.07 2.44 2.96 -0.06 -4.99 118.68 115.86 2nyy s LEU 18 Ca 0.08 0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 54.11 2nyy s LEU 18 Cb 0.03 1.59 0.03 0.00 0.50 0.00 0.00 46.19 48.35 2nyy s LEU 18 CO -0.08 -0.30 0.01 -0.60 -1.32 0.00 0.00 176.35 174.06 2nyy s ARG 19 N -1.87 0.53 0.21 1.98 3.52 -1.26 -1.10 118.95 120.96 2nyy s ARG 19 Ca 0.05 0.13 0.00 0.00 -0.13 0.00 0.00 55.73 55.78 2nyy s ARG 19 Cb -0.01 -0.91 -0.04 0.00 -1.56 0.00 0.00 34.95 32.43 2nyy s ARG 19 CO -0.04 -0.30 0.39 -0.51 -0.81 0.00 0.00 175.30 174.03 2nyy s LEU 20 N 1.95 4.23 -0.21 -0.88 1.43 -0.59 -4.60 118.68 120.00 2nyy s LEU 20 Ca 0.04 0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 53.46 2nyy s LEU 20 Cb -0.12 -3.13 0.09 0.00 0.03 0.00 0.00 46.19 43.05 2nyy s LEU 20 CO -0.05 -0.06 0.16 -0.44 0.23 0.00 0.00 176.35 176.19 2nyy s SER 21 N -3.30 2.20 -0.21 2.29 0.01 -0.32 -1.29 113.70 113.07 2nyy s SER 21 Ca 0.38 -0.63 -0.19 0.00 1.31 0.00 0.00 55.95 56.82 2nyy s SER 21 Cb -0.11 0.00 -0.03 0.00 0.21 0.00 0.00 66.02 66.10 2nyy s SER 21 CO 0.30 -0.36 0.56 0.00 0.41 0.00 0.00 173.24 174.14 2nyy s ALA 23 N 1.89 3.26 -0.00 0.00 0.00 0.02 -0.62 121.76 126.30 2nyy s ALA 23 Ca 0.25 -1.66 -0.11 0.00 0.00 0.00 0.00 51.96 50.45 2nyy s ALA 23 Cb -0.16 -2.52 -0.05 0.00 0.00 0.00 0.00 23.12 20.39 2nyy s ALA 23 CO 0.10 -1.28 0.33 0.00 0.00 0.00 0.00 175.76 174.90 2nyy s ALA 24 N 1.55 3.77 0.07 0.00 0.00 -0.83 -1.46 121.76 124.87 2nyy s ALA 24 Ca 0.02 -0.40 -0.06 0.00 0.00 0.00 0.00 51.96 51.52 2nyy s ALA 24 Cb -0.19 -2.22 -0.02 0.00 0.00 0.00 0.00 23.12 20.69 2nyy s ALA 24 CO 0.06 0.56 0.10 -1.54 0.00 0.00 0.00 175.76 174.95 2nyy s SER 25 N -1.35 0.26 0.00 0.00 1.04 -0.91 -4.80 113.70 107.94 2nyy s SER 25 Ca 0.25 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.89 2nyy s SER 25 Cb -0.14 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.26 2nyy s SER 25 CO 0.13 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.28 2nyy n GLY 26 N 0.01 0.59 3.83 7.32 0.00 -1.26 -2.66 105.19 113.02 2nyy n GLY 26 Ca -0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 2nyy n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2nyy s PHE 27 N -2.01 0.01 -1.43 1.61 -0.12 -1.26 -4.53 117.98 110.25 2nyy s PHE 27 Ca 0.00 -0.44 -0.08 0.00 -0.05 0.00 0.00 56.93 56.36 2nyy s PHE 27 Cb 0.00 0.71 0.05 0.00 -0.63 0.00 0.00 43.02 43.15 2nyy s PHE 27 CO 0.00 -1.04 2.51 2.41 -0.05 0.00 0.00 175.22 179.05 2nyy n THR 28 N -0.59 4.73 -0.20 -4.49 -1.04 -1.26 -4.79 114.28 106.64 2nyy n THR 28 Ca -0.05 -3.67 0.02 0.00 -2.04 0.00 0.00 64.05 58.31 2nyy n THR 28 Cb 0.60 -2.32 0.06 0.00 -1.82 0.00 0.00 70.33 66.84 2nyy n THR 28 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2nyy n PHE 29 N 2.86 0.13 0.64 -1.42 7.35 -1.26 -1.74 117.46 124.02 2nyy n PHE 29 Ca 0.65 0.65 0.05 0.00 -0.76 0.00 0.00 57.45 58.04 2nyy n PHE 29 Cb 0.26 -0.77 0.31 0.00 0.35 0.00 0.00 39.48 39.63 2nyy n PHE 29 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 2nyy n LYS 30 N -4.84 0.30 -0.00 -4.13 2.85 -1.26 -1.39 118.16 109.69 2nyy n LYS 30 Ca 0.08 0.03 0.05 0.00 -1.05 0.00 0.00 58.31 57.42 2nyy n LYS 30 Cb 0.25 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.06 2nyy n LYS 30 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2nyy n TYR 31 N -1.05 0.00 -4.10 5.58 4.01 -0.71 -4.62 117.16 116.26 2nyy n TYR 31 Ca 0.07 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.46 2nyy n TYR 31 Cb 0.04 -0.12 -0.09 0.00 -0.31 0.00 0.00 39.34 38.86 2nyy n TYR 31 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2nyy s ASP 32 N -2.60 5.65 0.59 7.72 1.01 -0.48 -4.74 116.67 123.81 2nyy s ASP 32 Ca -0.00 0.18 -0.20 0.00 0.71 0.00 0.00 52.55 53.23 2nyy s ASP 32 Cb 0.07 -1.83 -0.03 0.00 1.01 0.00 0.00 42.92 42.13 2nyy s ASP 32 CO 0.41 0.29 1.32 -1.22 0.21 0.00 0.00 175.17 176.18 2nyy n TYR 33 N 2.77 2.12 -4.37 4.23 4.02 -1.26 -4.22 117.16 120.45 2nyy n TYR 33 Ca -0.18 0.43 -0.20 0.00 -0.01 0.00 0.00 57.90 57.93 2nyy n TYR 33 Cb 0.53 -2.32 -0.16 0.00 -0.02 0.00 0.00 39.34 37.37 2nyy n TYR 33 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 2nyy s MET 34 N -3.06 0.99 0.09 -0.72 -1.94 -0.94 -1.51 119.30 112.21 2nyy s MET 34 Ca 0.76 -0.28 0.09 0.00 -1.71 0.00 0.00 55.69 54.54 2nyy s MET 34 Cb -0.40 -0.92 -0.04 0.00 2.01 0.00 0.00 34.83 35.48 2nyy s MET 34 CO 0.46 0.08 -0.20 0.71 -0.01 0.00 0.00 175.02 176.06 2nyy s TYR 35 N 0.31 2.50 -0.18 -0.03 1.51 0.29 -1.57 117.35 120.19 2nyy s TYR 35 Ca -0.05 -0.29 -0.05 0.00 -1.01 0.00 0.00 57.07 55.67 2nyy s TYR 35 Cb -0.10 -1.37 -0.03 0.00 -0.11 0.00 0.00 41.96 40.35 2nyy s TYR 35 CO 0.01 0.32 0.00 -1.58 -1.11 0.00 0.00 175.55 173.19 2nyy s TRP 36 N -1.05 3.08 0.05 2.71 0.52 0.16 -0.70 118.94 123.71 2nyy s TRP 36 Ca 0.16 -0.27 0.04 0.00 0.02 0.00 0.00 56.10 56.05 2nyy s TRP 36 Cb -0.10 -2.04 -0.02 0.00 -1.15 0.00 0.00 33.47 30.15 2nyy s TRP 36 CO 0.08 -0.07 -0.12 0.08 0.02 0.00 0.00 176.95 176.93 2nyy s VAL 37 N 0.63 0.94 0.07 4.03 1.01 0.11 -0.87 120.40 126.32 2nyy s VAL 37 Ca -0.00 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.95 2nyy s VAL 37 Cb -0.14 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 2nyy s VAL 37 CO 0.02 -0.13 -0.06 0.00 0.00 0.00 0.00 175.10 174.93 2nyy s ARG 38 N -1.32 0.67 -0.25 2.72 1.70 0.61 0.38 118.95 123.46 2nyy s ARG 38 Ca -0.02 -1.12 -0.02 0.00 -0.47 0.00 0.00 55.73 54.10 2nyy s ARG 38 Cb -0.08 -0.09 0.12 0.00 -0.57 0.00 0.00 34.95 34.33 2nyy s ARG 38 CO 0.01 -0.03 0.29 -1.14 -1.08 0.00 0.00 175.30 173.35 2nyy s GLN 39 N -3.18 0.28 0.39 3.89 0.74 -0.69 -0.14 119.66 120.94 2nyy s GLN 39 Ca 0.04 0.15 -0.27 0.00 0.05 0.00 0.00 55.36 55.32 2nyy s GLN 39 Cb 0.02 -0.83 -0.11 0.00 1.10 0.00 0.00 33.01 33.19 2nyy s GLN 39 CO -0.05 -0.80 1.45 0.00 -0.55 0.00 0.00 175.29 175.34 2nyy n ALA 40 N 5.33 2.14 -1.64 1.58 0.00 -1.26 -1.34 120.51 125.31 2nyy n ALA 40 Ca -0.04 0.32 -0.64 0.00 0.00 0.00 0.00 53.44 53.09 2nyy n ALA 40 Cb 0.48 -2.39 -0.09 0.00 0.00 0.00 0.00 19.45 17.45 2nyy n ALA 40 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2nyy n PRO 41 N 0.30 0.00 -3.52 0.00 -0.02 -1.26 -2.09 135.00 128.41 2nyy n PRO 41 Ca 0.03 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.28 2nyy n PRO 41 Cb 0.39 -1.48 0.05 0.00 -0.02 0.00 0.00 33.50 32.44 2nyy n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nyy n GLY 42 N 3.01 -0.89 2.59 -1.23 0.00 -1.26 -4.97 105.19 102.44 2nyy n GLY 42 Ca 0.27 0.43 -0.06 0.00 0.00 0.00 0.00 46.02 46.65 2nyy n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2nyy n LYS 43 N -3.85 0.77 -1.72 1.61 4.81 -0.89 -5.17 118.16 113.72 2nyy n LYS 43 Ca -0.13 -1.52 -0.30 0.00 -0.87 0.00 0.00 58.31 55.49 2nyy n LYS 43 Cb 0.62 1.90 0.07 0.00 0.02 0.00 0.00 35.03 37.64 2nyy n LYS 43 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2nyy s GLY 44 N -2.44 1.62 0.19 3.14 0.00 -1.26 -4.74 107.32 103.83 2nyy s GLY 44 Ca 0.11 -0.30 -0.29 0.00 0.00 0.00 0.00 44.72 44.24 2nyy s GLY 44 CO 0.08 0.11 0.91 1.08 0.00 0.00 0.00 173.10 175.28 2nyy s LEU 45 N -5.59 4.60 -0.03 0.66 1.43 -1.26 -4.23 118.68 114.27 2nyy s LEU 45 Ca 0.60 1.85 0.01 0.00 -1.03 0.00 0.00 54.13 55.56 2nyy s LEU 45 Cb -0.13 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.57 2nyy s LEU 45 CO 0.53 0.11 -0.04 -0.70 0.23 0.00 0.00 176.35 176.48 2nyy s GLU 46 N -0.87 0.63 0.19 1.70 2.12 0.80 -4.98 118.70 118.29 2nyy s GLU 46 Ca 0.41 -0.09 -0.30 0.00 0.36 0.00 0.00 54.97 55.35 2nyy s GLU 46 Cb -0.25 -0.66 -0.08 0.00 0.26 0.00 0.00 34.13 33.40 2nyy s GLU 46 CO 0.30 -0.04 0.99 -0.46 -0.54 0.00 0.00 175.26 175.51 2nyy s TRP 47 N 0.67 3.82 -0.14 5.30 -0.00 -1.26 -0.28 118.94 127.05 2nyy s TRP 47 Ca -0.08 1.80 -0.10 0.00 -0.00 0.00 0.00 56.10 57.72 2nyy s TRP 47 Cb -0.11 -3.08 -0.06 0.00 -0.00 0.00 0.00 33.47 30.21 2nyy s TRP 47 CO -0.00 0.10 -0.23 0.28 -0.00 0.00 0.00 176.95 177.09 2nyy n VAL 48 N 2.06 1.19 -3.51 5.86 0.31 -0.05 -4.56 118.33 119.64 2nyy n VAL 48 Ca 0.00 -0.03 -0.14 0.00 -0.01 0.00 0.00 64.34 64.17 2nyy n VAL 48 Cb 0.47 -1.91 -0.05 0.00 -0.91 0.00 0.00 33.84 31.45 2nyy n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2nyy s ALA 49 N -2.46 -1.77 0.06 3.52 0.00 -1.02 -0.18 121.76 119.92 2nyy s ALA 49 Ca -0.22 1.17 0.07 0.00 0.00 0.00 0.00 51.96 52.97 2nyy s ALA 49 Cb 0.06 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 2nyy s ALA 49 CO 0.30 -0.48 -0.18 0.99 0.00 0.00 0.00 175.76 176.39 2nyy s THR 50 N -1.92 1.46 -0.06 0.00 2.01 -0.15 0.40 115.64 117.39 2nyy s THR 50 Ca -0.05 -1.21 -0.00 0.00 0.31 0.00 0.00 61.69 60.74 2nyy s THR 50 Cb -0.00 -1.31 0.02 0.00 0.01 0.00 0.00 72.50 71.22 2nyy s THR 50 CO 0.01 0.06 -0.03 -0.51 -0.69 0.00 0.00 174.62 173.47 2nyy s ILE 51 N -0.92 0.48 0.94 1.82 2.07 -0.61 -0.96 121.20 124.02 2nyy s ILE 51 Ca 0.05 -0.02 -0.10 0.00 -1.41 0.00 0.00 60.65 59.16 2nyy s ILE 51 Cb -0.09 -0.56 0.16 0.00 0.13 0.00 0.00 42.46 42.10 2nyy s ILE 51 CO 0.02 0.24 1.14 -0.94 -1.91 0.00 0.00 174.94 173.49 2nyy s SER 52 N 1.38 2.70 0.19 4.50 1.04 -0.29 -2.22 113.70 121.00 2nyy s SER 52 Ca -0.04 2.14 -0.11 0.00 0.48 0.00 0.00 55.95 58.42 2nyy s SER 52 Cb -0.13 -2.55 0.20 0.00 0.10 0.00 0.00 66.02 63.64 2nyy s SER 52 CO -0.03 -3.24 1.78 -2.24 0.98 0.00 0.00 173.24 170.50 2nyy h ASP 53 N -1.96 0.36 0.71 7.02 2.03 -1.86 0.70 116.42 123.42 2nyy h ASP 53 Ca -0.45 0.04 0.00 0.00 -0.73 0.00 0.00 57.03 55.90 2nyy h ASP 53 Cb 1.27 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 2nyy h ASP 53 CO 0.42 0.24 0.00 0.61 -1.03 0.00 0.00 179.24 179.48 2nyy n GLY 54 N -1.27 -1.26 2.29 7.15 0.00 -1.26 -4.78 105.19 106.06 2nyy n GLY 54 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2nyy n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nyy n GLY 55 N 0.97 0.81 0.15 -0.02 0.00 0.24 -4.92 105.19 102.41 2nyy n GLY 55 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 2nyy n GLY 55 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2nyy h SER 56 N 0.00 0.00 -3.31 1.61 0.02 -1.91 -3.45 113.55 106.51 2nyy h SER 56 Ca 0.00 -0.02 -0.52 0.00 -0.84 0.00 0.00 61.79 60.41 2nyy h SER 56 Cb 0.00 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 62.19 2nyy h SER 56 CO 0.00 0.01 -0.81 -0.31 -1.14 0.00 0.00 176.83 174.58 2nyy s TYR 57 N -3.26 1.49 0.12 3.45 1.51 -1.26 -5.04 117.35 114.35 2nyy s TYR 57 Ca 0.04 -0.65 0.06 0.00 -1.01 0.00 0.00 57.07 55.51 2nyy s TYR 57 Cb 0.08 -1.16 -0.04 0.00 -0.11 0.00 0.00 41.96 40.74 2nyy s TYR 57 CO 0.72 -0.39 -0.15 0.95 -1.11 0.00 0.00 175.55 175.57 2nyy s THR 58 N 1.13 1.37 -0.01 -0.71 -4.23 -1.26 -1.14 115.64 110.79 2nyy s THR 58 Ca -0.06 -1.66 0.02 0.00 -1.18 0.00 0.00 61.69 58.81 2nyy s THR 58 Cb -0.14 -1.50 -0.00 0.00 1.34 0.00 0.00 72.50 72.20 2nyy s THR 58 CO -0.02 -0.35 -0.07 -0.31 -0.54 0.00 0.00 174.62 173.33 2nyy s TYR 59 N -1.93 0.65 0.02 3.99 1.51 -0.14 -4.99 117.35 116.47 2nyy s TYR 59 Ca 0.08 -0.13 0.04 0.00 -1.01 0.00 0.00 57.07 56.05 2nyy s TYR 59 Cb -0.06 -0.43 -0.02 0.00 -0.11 0.00 0.00 41.96 41.34 2nyy s TYR 59 CO 0.03 -0.03 -0.12 0.71 -1.11 0.00 0.00 175.55 175.04 2nyy s TYR 60 N -0.08 1.04 0.40 2.71 1.51 -1.26 -0.98 117.35 120.70 2nyy s TYR 60 Ca 0.01 -0.31 -0.25 0.00 -1.01 0.00 0.00 57.07 55.52 2nyy s TYR 60 Cb -0.04 -0.63 -0.08 0.00 -0.11 0.00 0.00 41.96 41.09 2nyy s TYR 60 CO -0.00 0.00 1.20 -1.54 -1.11 0.00 0.00 175.55 174.11 2nyy s SER 61 N -0.88 6.46 0.56 2.29 1.04 0.75 -4.81 113.70 119.12 2nyy s SER 61 Ca 0.01 2.43 0.25 0.00 0.48 0.00 0.00 55.95 59.12 2nyy s SER 61 Cb -0.07 -2.62 1.56 0.00 0.10 0.00 0.00 66.02 64.99 2nyy s SER 61 CO 0.01 -0.73 2.14 -0.78 0.98 0.00 0.00 173.24 174.86 2nyy h ASP 62 N 2.64 0.00 0.08 7.02 3.58 -1.93 -0.19 116.42 127.63 2nyy h ASP 62 Ca -0.49 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 56.89 2nyy h ASP 62 Cb 1.24 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.28 2nyy h ASP 62 CO 0.62 0.00 -0.23 0.77 -2.88 0.00 0.00 179.24 177.52 2nyy h SER 63 N 0.00 0.27 -0.12 2.28 4.64 -1.96 -3.21 113.55 115.45 2nyy h SER 63 Ca 0.06 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2nyy h SER 63 Cb 0.30 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2nyy h SER 63 CO -0.00 0.51 0.00 1.33 -0.87 0.00 0.00 176.83 177.80 2nyy n VAL 64 N -4.17 0.28 -1.72 0.95 0.24 -0.17 -5.03 118.33 108.70 2nyy n VAL 64 Ca -0.01 -0.64 -0.40 0.00 -2.04 0.00 0.00 64.34 61.25 2nyy n VAL 64 Cb 0.35 1.05 0.02 0.00 -1.47 0.00 0.00 33.84 33.79 2nyy n VAL 64 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2nyy n GLU 65 N 0.69 2.02 -0.99 7.34 2.13 -0.67 -1.54 120.64 129.63 2nyy n GLU 65 Ca 0.09 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.63 2nyy n GLU 65 Cb 0.35 -2.48 0.00 0.00 0.27 0.00 0.00 31.44 29.58 2nyy n GLU 65 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2nyy n GLY 66 N 0.73 0.60 0.00 8.31 0.00 -1.26 -4.68 105.19 108.90 2nyy n GLY 66 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2nyy n GLY 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2nyy n ARG 67 N -2.52 0.00 -4.14 1.61 0.63 -1.13 -5.05 116.66 106.06 2nyy n ARG 67 Ca 0.00 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.59 2nyy n ARG 67 Cb 0.02 -0.32 -0.07 0.00 0.45 0.00 0.00 32.46 32.54 2nyy n ARG 67 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2nyy s PHE 68 N -1.00 3.28 -0.04 -0.14 0.40 -0.59 -1.98 117.98 117.91 2nyy s PHE 68 Ca 0.00 0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.58 2nyy s PHE 68 Cb 0.00 -1.76 0.01 0.00 0.51 0.00 0.00 43.02 41.78 2nyy s PHE 68 CO 0.00 0.55 -0.10 0.99 0.70 0.00 0.00 175.22 177.35 2nyy s THR 69 N -1.12 0.94 -0.12 0.64 2.01 0.84 -4.86 115.64 113.98 2nyy s THR 69 Ca 0.20 -0.41 -0.02 0.00 0.31 0.00 0.00 61.69 61.78 2nyy s THR 69 Cb -0.12 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.51 2nyy s THR 69 CO 0.11 0.30 -0.05 0.28 -0.69 0.00 0.00 174.62 174.56 2nyy s THR 70 N 0.46 3.79 0.25 -0.82 -1.32 -1.26 0.18 115.64 116.91 2nyy s THR 70 Ca -0.09 -0.42 0.01 0.00 -1.21 0.00 0.00 61.69 59.98 2nyy s THR 70 Cb -0.12 -2.61 -0.03 0.00 -1.51 0.00 0.00 72.50 68.22 2nyy s THR 70 CO 0.02 0.54 0.21 -0.94 -2.21 0.00 0.00 174.62 172.23 2nyy s SER 71 N -0.13 0.60 0.09 8.08 1.04 -0.92 -5.01 113.70 117.46 2nyy s SER 71 Ca 0.02 -1.47 -0.13 0.00 0.48 0.00 0.00 55.95 54.85 2nyy s SER 71 Cb -0.13 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.46 2nyy s SER 71 CO 0.03 -0.94 0.31 0.00 0.98 0.00 0.00 173.24 173.62 2nyy s ARG 72 N -3.90 0.93 -0.32 4.02 1.70 -1.26 -0.52 118.95 119.60 2nyy s ARG 72 Ca 0.38 -0.74 0.00 0.00 -0.47 0.00 0.00 55.73 54.91 2nyy s ARG 72 Cb 0.05 0.40 0.10 0.00 -0.57 0.00 0.00 34.95 34.93 2nyy s ARG 72 CO 0.17 -0.33 0.10 0.34 -1.08 0.00 0.00 175.30 174.49 2nyy s ASP 73 N -2.64 4.13 0.57 -2.89 -1.08 -0.60 -4.98 116.67 109.19 2nyy s ASP 73 Ca 0.02 -1.77 0.31 0.00 -0.52 0.00 0.00 52.55 50.59 2nyy s ASP 73 Cb 0.02 -0.99 1.75 0.00 -1.46 0.00 0.00 42.92 42.24 2nyy s ASP 73 CO -0.09 -0.40 2.19 0.78 0.52 0.00 0.00 175.17 178.17 2nyy h ASN 74 N 7.95 0.00 0.59 -0.34 2.35 -1.92 -2.63 115.58 121.57 2nyy h ASN 74 Ca -0.11 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.43 2nyy h ASN 74 Cb 1.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.37 2nyy h ASN 74 CO 0.48 0.05 -0.90 0.77 -1.65 0.00 0.00 177.43 176.18 2nyy h SER 75 N 0.00 0.26 -0.69 5.81 4.64 -1.94 -3.11 113.55 118.52 2nyy h SER 75 Ca -0.00 -0.22 -0.26 0.00 -0.47 0.00 0.00 61.79 60.84 2nyy h SER 75 Cb 0.14 -0.08 -0.16 0.00 -0.31 0.00 0.00 62.40 62.00 2nyy h SER 75 CO 0.01 1.03 0.28 0.29 -0.87 0.00 0.00 176.83 177.56 2nyy n LYS 76 N -3.65 2.97 -2.29 4.77 4.76 -1.07 -4.98 118.16 118.67 2nyy n LYS 76 Ca -0.04 -3.07 -0.04 0.00 -2.87 0.00 0.00 58.31 52.30 2nyy n LYS 76 Cb 0.82 -2.10 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 2nyy n LYS 76 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2nyy n ASN 77 N -0.60 -0.66 -3.86 4.39 3.02 -1.13 -4.83 115.26 111.59 2nyy n ASN 77 Ca 0.42 -0.10 -0.11 0.00 -0.03 0.00 0.00 54.58 54.76 2nyy n ASN 77 Cb 1.35 -0.21 -0.11 0.00 -0.61 0.00 0.00 39.78 40.20 2nyy n ASN 77 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2nyy s THR 78 N -1.58 0.07 0.06 3.41 2.01 -1.02 -1.96 115.64 116.63 2nyy s THR 78 Ca 0.01 -0.54 0.07 0.00 0.31 0.00 0.00 61.69 61.54 2nyy s THR 78 Cb -0.00 -0.38 -0.03 0.00 0.01 0.00 0.00 72.50 72.11 2nyy s THR 78 CO 0.12 -0.30 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.33 2nyy s LEU 79 N -1.05 2.20 0.04 4.42 2.96 0.21 -1.56 118.68 125.89 2nyy s LEU 79 Ca -0.11 -0.55 0.06 0.00 -0.22 0.00 0.00 54.13 53.30 2nyy s LEU 79 Cb -0.06 -0.90 -0.02 0.00 0.50 0.00 0.00 46.19 45.71 2nyy s LEU 79 CO 0.01 0.12 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.69 2nyy s TYR 80 N -0.89 1.44 -0.32 5.38 1.51 0.33 -0.38 117.35 124.42 2nyy s TYR 80 Ca 0.06 -0.35 -0.01 0.00 -1.01 0.00 0.00 57.07 55.76 2nyy s TYR 80 Cb -0.09 -0.87 0.11 0.00 -0.11 0.00 0.00 41.96 41.00 2nyy s TYR 80 CO 0.02 0.05 0.13 -1.17 -1.11 0.00 0.00 175.55 173.48 2nyy s LEU 81 N -1.07 1.69 0.11 -1.29 2.96 -0.41 -2.16 118.68 118.51 2nyy s LEU 81 Ca 0.04 -1.72 -0.30 0.00 -0.22 0.00 0.00 54.13 51.93 2nyy s LEU 81 Cb -0.08 -0.69 -0.06 0.00 0.50 0.00 0.00 46.19 45.86 2nyy s LEU 81 CO 0.01 -0.39 1.04 -1.58 -1.32 0.00 0.00 176.35 174.11 2nyy s GLN 82 N 1.54 4.60 -0.19 1.98 2.00 0.13 -1.54 119.66 128.18 2nyy s GLN 82 Ca 0.11 1.58 -0.05 0.00 -2.00 0.00 0.00 55.36 55.01 2nyy s GLN 82 Cb -0.18 -3.35 0.07 0.00 0.80 0.00 0.00 33.01 30.34 2nyy s GLN 82 CO -0.23 0.06 0.12 1.41 -0.50 0.00 0.00 175.29 176.15 2nyy s MET 83 N 0.19 0.10 0.15 1.67 1.75 -0.26 -0.11 119.30 122.78 2nyy s MET 83 Ca 0.50 -0.09 0.07 0.00 -1.25 0.00 0.00 55.69 54.92 2nyy s MET 83 Cb -0.26 -1.64 -0.04 0.00 2.84 0.00 0.00 34.83 35.73 2nyy s MET 83 CO 0.31 -0.71 -0.15 -0.80 -0.65 0.00 0.00 175.02 173.02 2nyy s ASN 84 N 2.17 2.27 -1.34 1.11 0.01 -0.84 -0.88 114.94 117.45 2nyy s ASN 84 Ca 0.04 -0.87 -0.21 0.00 -0.71 0.00 0.00 52.86 51.10 2nyy s ASN 84 Cb -0.16 -0.10 0.03 0.00 0.41 0.00 0.00 41.25 41.43 2nyy s ASN 84 CO -0.13 -0.13 0.43 -1.54 -1.51 0.00 0.00 177.10 174.22 2nyy n SER 85 N 0.27 -2.21 -4.76 -1.22 3.41 -0.55 -4.72 113.62 103.84 2nyy n SER 85 Ca -0.13 -1.28 -0.39 0.00 -0.26 0.00 0.00 58.87 56.81 2nyy n SER 85 Cb 0.58 -1.73 0.01 0.00 -0.26 0.00 0.00 64.21 62.81 2nyy n SER 85 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2nyy s LEU 86 N -7.40 4.08 0.43 1.04 1.43 -0.91 -4.61 118.68 112.74 2nyy s LEU 86 Ca 0.30 2.73 0.06 0.00 -1.03 0.00 0.00 54.13 56.19 2nyy s LEU 86 Cb -0.16 -4.03 -0.06 0.00 0.03 0.00 0.00 46.19 41.97 2nyy s LEU 86 CO 0.98 -1.12 0.07 -0.13 0.23 0.00 0.00 176.35 176.37 2nyy s ARG 87 N -2.50 2.07 0.26 1.70 0.52 -1.26 0.44 118.95 120.18 2nyy s ARG 87 Ca 0.62 -2.07 -0.01 0.00 -0.52 0.00 0.00 55.73 53.75 2nyy s ARG 87 Cb -0.39 -1.73 0.49 0.00 0.52 0.00 0.00 34.95 33.83 2nyy s ARG 87 CO 0.50 -0.12 1.82 0.00 0.02 0.00 0.00 175.30 177.51 2nyy h ALA 88 N 1.60 1.35 0.00 2.13 0.00 -1.97 -2.47 119.26 119.90 2nyy h ALA 88 Ca -0.43 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2nyy h ALA 88 Cb 1.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2nyy h ALA 88 CO 0.77 0.14 0.00 0.39 0.00 0.00 0.00 179.25 180.54 2nyy n GLU 89 N -4.70 0.05 0.08 0.00 4.71 -1.26 -1.69 120.64 117.83 2nyy n GLU 89 Ca 0.16 0.22 0.13 0.00 -0.01 0.00 0.00 57.16 57.67 2nyy n GLU 89 Cb 0.33 -1.50 0.46 0.00 -1.01 0.00 0.00 31.44 29.72 2nyy n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2nyy n ASP 90 N -1.45 0.60 -4.68 1.62 8.00 -0.93 -4.82 116.55 114.88 2nyy n ASP 90 Ca 0.04 0.56 -0.49 0.00 0.71 0.00 0.00 54.79 55.61 2nyy n ASP 90 Cb 0.16 -0.72 -0.05 0.00 -0.02 0.00 0.00 41.12 40.50 2nyy n ASP 90 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2nyy n THR 91 N -2.06 0.42 0.00 -3.53 -1.04 -0.68 -4.87 114.28 102.52 2nyy n THR 91 Ca 0.06 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2nyy n THR 91 Cb 0.40 -1.69 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 2nyy n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2nyy n ALA 92 N 5.74 0.00 -2.30 2.41 0.00 -0.38 -4.30 120.51 121.68 2nyy n ALA 92 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.27 2nyy n ALA 92 Cb 0.27 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.66 2nyy n ALA 92 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2nyy s ILE 93 N -2.00 4.70 -0.22 0.00 1.01 -0.45 -0.81 121.20 123.42 2nyy s ILE 93 Ca 0.00 1.46 -0.02 0.00 0.00 0.00 0.00 60.65 62.09 2nyy s ILE 93 Cb 0.00 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.46 2nyy s ILE 93 CO 0.00 0.45 -0.08 -0.31 0.00 0.00 0.00 174.94 175.00 2nyy s TYR 94 N -0.56 2.97 -0.11 3.97 1.51 -0.16 -1.71 117.35 123.25 2nyy s TYR 94 Ca 0.34 -1.35 -0.02 0.00 -1.01 0.00 0.00 57.07 55.03 2nyy s TYR 94 Cb -0.20 -2.05 -0.03 0.00 -0.11 0.00 0.00 41.96 39.57 2nyy s TYR 94 CO 0.21 -0.68 -0.02 0.71 -1.11 0.00 0.00 175.55 174.67 2nyy s TYR 95 N 1.38 3.09 0.02 2.71 1.51 0.16 -2.32 117.35 123.89 2nyy s TYR 95 Ca 0.03 0.01 -0.07 0.00 -1.01 0.00 0.00 57.07 56.03 2nyy s TYR 95 Cb -0.15 -1.85 -0.05 0.00 -0.11 0.00 0.00 41.96 39.80 2nyy s TYR 95 CO -0.06 0.27 0.28 0.00 -1.11 0.00 0.00 175.55 174.93 2nyy s SER 97 N -1.70 0.17 0.14 0.00 1.04 0.12 -2.58 113.70 110.89 2nyy s SER 97 Ca 0.28 -0.41 -0.26 0.00 0.48 0.00 0.00 55.95 56.04 2nyy s SER 97 Cb -0.13 0.14 -0.07 0.00 0.10 0.00 0.00 66.02 66.05 2nyy s SER 97 CO 0.16 -0.33 0.80 -0.60 0.98 0.00 0.00 173.24 174.25 2nyy s ARG 98 N -1.50 4.59 -0.41 4.02 3.52 -0.71 -0.54 118.95 127.91 2nyy s ARG 98 Ca -0.15 1.19 -0.15 0.00 -0.13 0.00 0.00 55.73 56.49 2nyy s ARG 98 Cb -0.09 -3.30 0.02 0.00 -1.56 0.00 0.00 34.95 30.02 2nyy s ARG 98 CO -0.00 0.47 0.32 -0.47 -0.81 0.00 0.00 175.30 174.81 2nyy s TYR 99 N -0.80 3.23 -0.49 5.12 5.04 -0.57 -1.73 117.35 127.14 2nyy s TYR 99 Ca 0.38 -0.54 -0.28 0.00 -2.44 0.00 0.00 57.07 54.19 2nyy s TYR 99 Cb -0.23 -2.64 0.01 0.00 0.35 0.00 0.00 41.96 39.45 2nyy s TYR 99 CO 0.26 -0.60 1.39 0.50 -1.34 0.00 0.00 175.55 175.76 2nyy s ARG 100 N 1.76 3.45 0.19 4.97 3.52 0.41 -4.22 118.95 129.04 2nyy s ARG 100 Ca 0.06 0.66 -0.30 0.00 -0.13 0.00 0.00 55.73 56.02 2nyy s ARG 100 Cb -0.19 -4.06 -0.09 0.00 -1.56 0.00 0.00 34.95 29.05 2nyy s ARG 100 CO 0.11 -1.74 1.37 -0.47 -0.81 0.00 0.00 175.30 173.76 2nyy s TYR 101 N 5.67 3.19 -0.68 5.12 5.04 -1.26 -0.12 117.35 134.31 2nyy s TYR 101 Ca 0.56 1.09 0.05 0.00 -2.44 0.00 0.00 57.07 56.32 2nyy s TYR 101 Cb -0.12 -3.69 0.26 0.00 0.35 0.00 0.00 41.96 38.77 2nyy s TYR 101 CO 0.29 -2.25 0.84 -3.47 -1.34 0.00 0.00 175.55 169.62 2nyy n ASP 102 N 2.91 4.12 0.00 4.32 2.03 -1.26 -5.00 116.55 123.66 2nyy n ASP 102 Ca 0.08 -3.47 0.00 0.00 0.52 0.00 0.00 54.79 51.92 2nyy n ASP 102 Cb 0.42 -0.72 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 2nyy n ASP 102 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2nyy n ASP 103 N 0.80 0.00 -3.67 1.67 8.00 0.83 -5.17 116.55 119.01 2nyy n ASP 103 Ca 0.30 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.79 2nyy n ASP 103 Cb 0.40 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.49 2nyy n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nyy s ALA 104 N -2.00 -1.93 -0.44 2.24 0.00 -1.16 -5.01 121.76 113.47 2nyy s ALA 104 Ca 0.00 0.32 -0.24 0.00 0.00 0.00 0.00 51.96 52.03 2nyy s ALA 104 Cb 0.00 0.54 0.02 0.00 0.00 0.00 0.00 23.12 23.69 2nyy s ALA 104 CO 0.00 -1.06 0.85 -1.64 0.00 0.00 0.00 175.76 173.91 2nyy s MET 105 N -2.78 3.53 -0.09 0.00 -1.94 -1.26 -0.44 119.30 116.31 2nyy s MET 105 Ca 0.15 0.09 0.12 0.00 -1.71 0.00 0.00 55.69 54.34 2nyy s MET 105 Cb 0.01 -3.91 -0.17 0.00 2.01 0.00 0.00 34.83 32.77 2nyy s MET 105 CO -0.00 -1.12 0.12 -0.40 -0.01 0.00 0.00 175.02 173.61 2nyy n ASP 106 N 6.86 1.87 -4.39 3.03 3.85 -0.71 -4.94 116.55 122.12 2nyy n ASP 106 Ca 0.04 0.00 -0.33 0.00 -0.71 0.00 0.00 54.79 53.80 2nyy n ASP 106 Cb 0.48 1.05 -0.14 0.00 -1.35 0.00 0.00 41.12 41.16 2nyy n ASP 106 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 2nyy s TYR 107 N -2.49 2.68 0.09 2.11 1.51 -1.25 -5.01 117.35 114.98 2nyy s TYR 107 Ca -0.06 -0.45 0.04 0.00 -1.01 0.00 0.00 57.07 55.59 2nyy s TYR 107 Cb 0.05 -1.70 -0.03 0.00 -0.11 0.00 0.00 41.96 40.17 2nyy s TYR 107 CO 0.53 -0.04 -0.10 -1.58 -1.11 0.00 0.00 175.55 173.25 2nyy s TRP 108 N -0.23 1.04 0.66 2.71 0.52 -1.26 -1.74 118.94 120.63 2nyy s TRP 108 Ca 0.00 -0.61 -0.07 0.00 0.02 0.00 0.00 56.10 55.44 2nyy s TRP 108 Cb -0.13 -0.57 0.14 0.00 -1.15 0.00 0.00 33.47 31.76 2nyy s TRP 108 CO 0.03 -0.00 0.90 0.41 0.02 0.00 0.00 176.95 178.31 2nyy n GLY 109 N 0.75 -0.43 0.22 0.98 0.00 -1.06 -4.69 105.19 100.96 2nyy n GLY 109 Ca -0.17 -1.85 0.09 0.00 0.00 0.00 0.00 46.02 44.08 2nyy n GLY 109 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2nyy h GLN 110 N 0.00 0.00 0.00 1.61 -0.00 -1.94 -3.47 115.11 111.31 2nyy h GLN 110 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.36 2nyy h GLN 110 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.40 2nyy h GLN 110 CO 0.25 0.27 0.00 0.41 -0.00 0.00 0.00 178.83 179.76 2nyy n GLY 111 N 0.03 0.79 3.27 0.06 0.00 -1.26 -5.01 105.19 103.08 2nyy n GLY 111 Ca -0.00 -1.95 -0.12 0.00 0.00 0.00 0.00 46.02 43.95 2nyy n GLY 111 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2nyy s THR 112 N -1.86 -0.01 -0.19 2.61 -1.32 -0.98 -4.78 115.64 109.11 2nyy s THR 112 Ca 0.00 0.04 -0.22 0.00 -1.21 0.00 0.00 61.69 60.30 2nyy s THR 112 Cb 0.00 -0.57 -0.02 0.00 -1.51 0.00 0.00 72.50 70.40 2nyy s THR 112 CO 0.00 0.02 0.67 -0.22 -2.21 0.00 0.00 174.62 172.87 2nyy s LEU 113 N 0.67 4.15 -0.25 9.08 2.96 -1.26 -0.99 118.68 133.03 2nyy s LEU 113 Ca -0.04 0.89 -0.07 0.00 -0.22 0.00 0.00 54.13 54.70 2nyy s LEU 113 Cb -0.05 -2.95 -0.02 0.00 0.50 0.00 0.00 46.19 43.67 2nyy s LEU 113 CO -0.05 -0.30 0.05 -0.69 -1.32 0.00 0.00 176.35 174.05 2nyy s VAL 114 N 1.97 4.07 -0.18 1.68 1.01 0.01 -1.84 120.40 127.13 2nyy s VAL 114 Ca 0.30 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 2nyy s VAL 114 Cb -0.16 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.29 2nyy s VAL 114 CO 0.11 0.30 -0.13 -0.89 0.00 0.00 0.00 175.10 174.49 2nyy s THR 115 N 1.57 2.73 -0.33 3.92 2.01 -1.02 -1.25 115.64 123.27 2nyy s THR 115 Ca 0.06 -0.73 -0.04 0.00 0.31 0.00 0.00 61.69 61.29 2nyy s THR 115 Cb -0.15 -2.18 0.06 0.00 0.01 0.00 0.00 72.50 70.23 2nyy s THR 115 CO 0.02 0.50 0.07 -0.69 -0.69 0.00 0.00 174.62 173.82 2nyy s VAL 116 N 1.10 3.31 -0.21 3.82 1.01 -1.26 -2.13 120.40 126.03 2nyy s VAL 116 Ca 0.00 -1.40 -0.28 0.00 0.00 0.00 0.00 61.98 60.31 2nyy s VAL 116 Cb -0.14 -2.95 0.12 0.00 0.00 0.00 0.00 36.38 33.40 2nyy s VAL 116 CO -0.04 -0.22 0.97 -0.55 0.00 0.00 0.00 175.10 175.26 2nyy s SER 117 N 1.40 -0.46 0.00 3.32 0.15 -0.83 -4.54 113.70 112.74 2nyy s SER 117 Ca -0.02 0.71 0.22 0.00 0.70 0.00 0.00 55.95 57.56 2nyy s SER 117 Cb -0.20 0.66 0.97 0.00 -1.71 0.00 0.00 66.02 65.74 2nyy s SER 117 CO -0.00 -0.27 1.71 -1.20 1.20 0.00 0.00 173.24 174.68 2nyy n SER 118 N 1.55 0.00 -4.56 5.45 7.64 -1.26 -4.24 113.62 118.21 2nyy n SER 118 Ca -0.12 0.42 -0.28 0.00 1.01 0.00 0.00 58.87 59.89 2nyy n SER 118 Cb 0.57 -0.47 0.21 0.00 -1.01 0.00 0.00 64.21 63.51 2nyy n SER 118 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nyy s ALA 119 N -2.94 0.41 0.12 -0.43 0.00 -1.26 -5.06 121.76 112.60 2nyy s ALA 119 Ca 0.12 -0.37 0.11 0.00 0.00 0.00 0.00 51.96 51.82 2nyy s ALA 119 Cb 0.15 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 2nyy s ALA 119 CO 0.39 -3.26 -0.26 -1.12 0.00 0.00 0.00 175.76 171.51 2nyy s SER 120 N -3.21 3.33 0.08 0.00 0.01 -1.26 -5.01 113.70 107.65 2nyy s SER 120 Ca 0.67 -0.71 -0.32 0.00 1.31 0.00 0.00 55.95 56.90 2nyy s SER 120 Cb -0.20 -0.25 -0.11 0.00 0.21 0.00 0.00 66.02 65.67 2nyy s SER 120 CO 0.60 0.19 1.85 0.41 0.41 0.00 0.00 173.24 176.70 2nyy n THR 121 N 1.04 0.44 -5.25 1.44 -1.04 -1.26 -4.71 114.28 104.94 2nyy n THR 121 Ca -0.18 -0.08 -0.32 0.00 -2.04 0.00 0.00 64.05 61.44 2nyy n THR 121 Cb 0.53 -2.08 -0.17 0.00 -1.82 0.00 0.00 70.33 66.79 2nyy n THR 121 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2nyy s LYS 122 N 3.08 2.66 0.55 -2.82 1.02 -0.35 -4.93 119.74 118.94 2nyy s LYS 122 Ca 0.84 -0.90 -0.18 0.00 0.02 0.00 0.00 55.97 55.75 2nyy s LYS 122 Cb -0.52 -2.20 -0.06 0.00 -0.52 0.00 0.00 37.83 34.54 2nyy s LYS 122 CO 0.40 0.34 1.07 0.20 -0.92 0.00 0.00 175.35 176.44 2nyy s GLY 123 N -0.07 2.38 0.60 -3.33 0.00 -1.26 -1.42 107.32 104.23 2nyy s GLY 123 Ca -0.07 0.58 -0.05 0.00 0.00 0.00 0.00 44.72 45.18 2nyy s GLY 123 CO 0.05 0.91 0.90 2.56 0.00 0.00 0.00 173.10 177.51 2nyy s PRO 124 N -3.58 2.71 0.02 2.90 0.04 -1.26 -4.61 135.00 131.23 2nyy s PRO 124 Ca 0.67 -0.19 -0.07 0.00 0.04 0.00 0.00 61.00 61.46 2nyy s PRO 124 Cb -0.18 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 32.02 2nyy s PRO 124 CO 0.28 -0.80 0.28 -1.12 0.04 0.00 0.00 177.00 175.68 2nyy s SER 125 N -4.36 6.51 -0.20 6.66 0.01 0.13 -4.91 113.70 117.54 2nyy s SER 125 Ca 0.55 0.58 -0.01 0.00 1.31 0.00 0.00 55.95 58.38 2nyy s SER 125 Cb -0.11 -2.10 0.01 0.00 0.21 0.00 0.00 66.02 64.04 2nyy s SER 125 CO 0.44 0.24 -0.14 -0.69 0.41 0.00 0.00 173.24 173.50 2nyy s VAL 126 N -1.31 2.59 -0.00 3.43 1.01 -1.26 -0.65 120.40 124.20 2nyy s VAL 126 Ca 0.28 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.58 2nyy s VAL 126 Cb -0.13 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 2nyy s VAL 126 CO 0.16 0.49 -0.24 -0.36 0.00 0.00 0.00 175.10 175.15 2nyy s PHE 127 N 1.36 2.38 0.66 5.22 0.40 -0.53 -4.99 117.98 122.48 2nyy s PHE 127 Ca 0.05 -0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 55.88 2nyy s PHE 127 Cb -0.13 -1.49 -0.01 0.00 0.51 0.00 0.00 43.02 41.90 2nyy s PHE 127 CO -0.09 0.04 1.05 -1.25 0.70 0.00 0.00 175.22 175.67 2nyy s PRO 128 N -0.82 3.19 -0.44 0.24 0.04 -1.26 -0.76 135.00 135.19 2nyy s PRO 128 Ca 0.11 0.55 0.03 0.00 0.04 0.00 0.00 61.00 61.73 2nyy s PRO 128 Cb -0.10 -2.07 0.12 0.00 0.04 0.00 0.00 34.50 32.49 2nyy s PRO 128 CO 0.00 -0.80 0.18 -0.51 0.04 0.00 0.00 177.00 175.91 2nyy s LEU 129 N -5.25 4.03 0.17 -3.56 1.43 -0.13 -4.73 118.68 110.65 2nyy s LEU 129 Ca 0.56 -2.60 -0.30 0.00 -1.03 0.00 0.00 54.13 50.76 2nyy s LEU 129 Cb -0.11 -1.48 -0.08 0.00 0.03 0.00 0.00 46.19 44.54 2nyy s LEU 129 CO 0.52 -0.29 1.29 0.00 0.23 0.00 0.00 176.35 178.10 2nyy s ALA 130 N 0.30 3.51 -0.64 4.21 0.00 -1.26 -2.59 121.76 125.29 2nyy s ALA 130 Ca 0.15 1.06 -0.26 0.00 0.00 0.00 0.00 51.96 52.90 2nyy s ALA 130 Cb -0.23 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 2nyy s ALA 130 CO -0.04 -0.51 1.96 -1.25 0.00 0.00 0.00 175.76 175.93 2nyy s PRO 131 N 0.12 2.51 -0.43 0.00 0.04 -1.26 -4.91 135.00 131.07 2nyy s PRO 131 Ca 0.57 0.60 -0.16 0.00 0.04 0.00 0.00 61.00 62.04 2nyy s PRO 131 Cb -0.35 -4.52 -0.10 0.00 0.04 0.00 0.00 34.50 29.57 2nyy s PRO 131 CO 0.36 -2.95 1.24 0.45 0.04 0.00 0.00 177.00 176.15 2nyy n SER 132 N 13.53 0.19 0.00 6.66 2.88 -1.26 -4.84 113.62 130.78 2nyy n SER 132 Ca 0.26 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 2nyy n SER 132 Cb 0.52 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 2nyy n SER 132 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2nyy n SER 133 N 4.76 0.00 -0.40 -3.46 2.88 -1.26 -2.59 113.62 113.56 2nyy n SER 133 Ca 0.31 0.00 0.30 0.00 -1.33 0.00 0.00 58.87 58.15 2nyy n SER 133 Cb 0.01 0.00 0.46 0.00 -0.75 0.00 0.00 64.21 63.93 2nyy n SER 133 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2nyy n LYS 134 N 13.79 -0.00 -1.62 -1.46 4.01 -1.26 -4.14 118.16 127.49 2nyy n LYS 134 Ca 0.00 0.64 -0.62 0.00 -0.51 0.00 0.00 58.31 57.82 2nyy n LYS 134 Cb 0.00 -1.44 -0.08 0.00 -0.51 0.00 0.00 35.03 33.00 2nyy n LYS 134 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2nyy n SER 135 N -3.19 0.80 -0.57 4.39 2.88 -1.07 -4.84 113.62 112.02 2nyy n SER 135 Ca 0.25 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.95 2nyy n SER 135 Cb 1.14 -0.95 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 2nyy n SER 135 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2nyy n THR 136 N 2.78 0.00 0.00 2.46 -2.24 -1.26 -5.08 114.28 110.94 2nyy n THR 136 Ca 0.24 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 2nyy n THR 136 Cb 0.04 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 2nyy n THR 136 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2nyy n SER 137 N 0.00 0.00 -0.00 3.42 7.64 -1.26 -5.01 113.62 118.40 2nyy n SER 137 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2nyy n SER 137 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2nyy n SER 137 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2nyy n GLY 138 N 0.00 3.92 0.00 0.23 0.00 -1.26 -5.15 105.19 102.93 2nyy n GLY 138 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2nyy n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nyy n GLY 139 N 0.00 0.01 1.85 -0.02 0.00 -1.26 -4.98 105.19 100.78 2nyy n GLY 139 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2nyy n GLY 139 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2nyy n THR 140 N -1.08 -4.70 -4.32 2.61 -1.04 -1.21 -3.50 114.28 101.04 2nyy n THR 140 Ca 0.00 0.43 -0.23 0.00 -2.04 0.00 0.00 64.05 62.21 2nyy n THR 140 Cb 0.00 -4.84 -0.12 0.00 -1.82 0.00 0.00 70.33 63.55 2nyy n THR 140 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2nyy s ALA 141 N -0.76 1.96 0.15 2.41 0.00 0.72 -4.70 121.76 121.54 2nyy s ALA 141 Ca 0.02 -1.40 0.08 0.00 0.00 0.00 0.00 51.96 50.67 2nyy s ALA 141 Cb -0.01 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 2nyy s ALA 141 CO 0.22 0.31 -0.11 0.00 0.00 0.00 0.00 175.76 176.17 2nyy s ALA 142 N -1.63 2.91 0.16 0.00 0.00 -1.26 -1.21 121.76 120.73 2nyy s ALA 142 Ca 0.12 -1.38 -0.18 0.00 0.00 0.00 0.00 51.96 50.52 2nyy s ALA 142 Cb -0.08 -0.77 0.04 0.00 0.00 0.00 0.00 23.12 22.31 2nyy s ALA 142 CO 0.06 0.54 0.49 -0.48 0.00 0.00 0.00 175.76 176.37 2nyy s LEU 143 N -2.54 0.08 0.00 0.00 0.05 -0.72 -4.20 118.68 111.34 2nyy s LEU 143 Ca 0.23 -0.33 0.00 0.00 0.05 0.00 0.00 54.13 54.08 2nyy s LEU 143 Cb -0.10 2.12 0.00 0.00 -2.05 0.00 0.00 46.19 46.16 2nyy s LEU 143 CO 0.14 -0.96 0.00 0.61 -0.55 0.00 0.00 176.35 175.59 2nyy n GLY 144 N -0.30 1.23 2.82 -3.48 0.00 -1.07 -0.65 105.19 103.73 2nyy n GLY 144 Ca -0.14 -0.64 -0.17 0.00 0.00 0.00 0.00 46.02 45.08 2nyy n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nyy s LEU 146 N 0.96 4.54 -0.30 0.00 2.96 0.06 -0.59 118.68 126.31 2nyy s LEU 146 Ca -0.10 -0.36 -0.08 0.00 -0.22 0.00 0.00 54.13 53.38 2nyy s LEU 146 Cb -0.13 -2.28 0.00 0.00 0.50 0.00 0.00 46.19 44.28 2nyy s LEU 146 CO -0.02 -0.34 0.11 -0.69 -1.32 0.00 0.00 176.35 174.09 2nyy s VAL 147 N 1.93 4.21 -0.02 1.68 1.01 0.75 -1.45 120.40 128.51 2nyy s VAL 147 Ca 0.10 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.51 2nyy s VAL 147 Cb -0.17 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.06 2nyy s VAL 147 CO 0.11 0.08 -0.07 -0.75 0.00 0.00 0.00 175.10 174.48 2nyy s LYS 148 N 1.54 0.75 -0.68 2.72 2.47 0.18 -0.96 119.74 125.76 2nyy s LYS 148 Ca 0.03 -0.21 -0.02 0.00 -1.56 0.00 0.00 55.97 54.21 2nyy s LYS 148 Cb -0.17 -0.73 -0.03 0.00 -1.46 0.00 0.00 37.83 35.45 2nyy s LYS 148 CO 0.04 0.06 0.62 -0.25 0.16 0.00 0.00 175.35 175.98 2nyy n ASP 149 N 3.39 -6.06 -4.31 1.43 8.00 -0.42 0.18 116.55 118.75 2nyy n ASP 149 Ca -0.19 -0.29 -0.19 0.00 0.71 0.00 0.00 54.79 54.84 2nyy n ASP 149 Cb 0.54 -4.24 -0.11 0.00 -0.02 0.00 0.00 41.12 37.30 2nyy n ASP 149 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2nyy s TYR 150 N -3.14 1.65 -0.16 1.24 -0.85 -1.09 -4.01 117.35 110.98 2nyy s TYR 150 Ca 0.17 -0.55 -0.14 0.00 -0.52 0.00 0.00 57.07 56.03 2nyy s TYR 150 Cb -0.02 -0.81 0.04 0.00 0.38 0.00 0.00 41.96 41.55 2nyy s TYR 150 CO 0.57 0.28 0.43 0.12 -1.52 0.00 0.00 175.55 175.44 2nyy s PHE 151 N -2.50 -0.49 0.52 -3.49 5.36 -0.51 -1.14 117.98 115.73 2nyy s PHE 151 Ca 0.17 1.17 0.01 0.00 -0.96 0.00 0.00 56.93 57.31 2nyy s PHE 151 Cb -0.03 0.18 0.10 0.00 -0.34 0.00 0.00 43.02 42.93 2nyy s PHE 151 CO 0.05 -0.24 0.71 -0.35 -1.46 0.00 0.00 175.22 173.93 2nyy n PRO 152 N 3.04 0.16 -1.38 10.12 -0.04 -1.26 -1.21 135.00 144.42 2nyy n PRO 152 Ca -0.15 -2.01 -0.33 0.00 -0.04 0.00 0.00 63.50 60.98 2nyy n PRO 152 Cb 0.57 -0.45 0.09 0.00 -0.04 0.00 0.00 33.50 33.67 2nyy n PRO 152 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2nyy s GLU 153 N -4.31 2.20 0.26 0.54 0.41 -1.26 -4.68 118.70 111.85 2nyy s GLU 153 Ca 0.48 1.48 0.06 0.00 -0.41 0.00 0.00 54.97 56.58 2nyy s GLU 153 Cb -0.03 -1.87 -0.03 0.00 -1.78 0.00 0.00 34.13 30.42 2nyy s GLU 153 CO 0.32 -1.73 0.28 -1.25 -0.49 0.00 0.00 175.26 172.38 2nyy s PRO 154 N -4.30 3.13 0.34 0.39 0.04 -1.26 -5.00 135.00 128.34 2nyy s PRO 154 Ca 0.68 -0.95 0.07 0.00 0.04 0.00 0.00 61.00 60.84 2nyy s PRO 154 Cb -0.23 -2.70 -0.02 0.00 0.04 0.00 0.00 34.50 31.59 2nyy s PRO 154 CO 0.48 0.38 0.38 0.14 0.04 0.00 0.00 177.00 178.42 2nyy s VAL 155 N -2.08 3.71 0.01 -0.36 -7.23 -1.26 -4.44 120.40 108.74 2nyy s VAL 155 Ca 0.34 -1.19 0.02 0.00 -1.81 0.00 0.00 61.98 59.34 2nyy s VAL 155 Cb -0.08 -3.27 -0.01 0.00 0.56 0.00 0.00 36.38 33.58 2nyy s VAL 155 CO 0.27 -0.15 -0.06 0.42 -0.31 0.00 0.00 175.10 175.26 2nyy s THR 156 N -2.26 0.47 0.15 5.32 -4.23 -0.11 -4.98 115.64 110.01 2nyy s THR 156 Ca 0.44 -0.50 0.10 0.00 -1.18 0.00 0.00 61.69 60.55 2nyy s THR 156 Cb -0.07 -0.45 -0.04 0.00 1.34 0.00 0.00 72.50 73.28 2nyy s THR 156 CO 0.29 -0.03 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.41 2nyy s VAL 157 N -0.51 2.09 0.15 2.29 1.01 -1.26 -0.60 120.40 123.57 2nyy s VAL 157 Ca -0.02 -1.81 -0.14 0.00 0.00 0.00 0.00 61.98 60.01 2nyy s VAL 157 Cb -0.05 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.45 2nyy s VAL 157 CO -0.00 -0.06 0.40 -0.94 0.00 0.00 0.00 175.10 174.49 2nyy s SER 158 N -2.29 -0.16 -0.08 3.32 1.04 0.07 -4.99 113.70 110.62 2nyy s SER 158 Ca 0.14 -0.50 0.05 0.00 0.48 0.00 0.00 55.95 56.12 2nyy s SER 158 Cb -0.09 0.49 -0.00 0.00 0.10 0.00 0.00 66.02 66.51 2nyy s SER 158 CO 0.07 -0.91 -0.24 0.26 0.98 0.00 0.00 173.24 173.40 2nyy s TRP 159 N -3.86 2.46 -1.57 5.02 0.52 -1.25 0.28 118.94 120.53 2nyy s TRP 159 Ca 0.08 -0.89 -0.14 0.00 0.02 0.00 0.00 56.10 55.17 2nyy s TRP 159 Cb 0.02 -1.63 0.10 0.00 -1.15 0.00 0.00 33.47 30.80 2nyy s TRP 159 CO -0.07 -0.33 0.90 0.09 0.02 0.00 0.00 176.95 177.57 2nyy n ASN 160 N 3.29 -4.10 -0.71 2.95 4.13 -0.72 -1.87 115.26 118.23 2nyy n ASN 160 Ca -0.18 -0.85 -0.06 0.00 1.68 0.00 0.00 54.58 55.16 2nyy n ASN 160 Cb 0.53 -3.56 -0.01 0.00 -1.54 0.00 0.00 39.78 35.20 2nyy n ASN 160 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2nyy n SER 161 N -2.80 -2.70 0.00 6.41 7.64 -1.26 -2.16 113.62 118.74 2nyy n SER 161 Ca 0.02 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2nyy n SER 161 Cb 0.53 -1.87 0.00 0.00 -1.01 0.00 0.00 64.21 61.86 2nyy n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2nyy n GLY 162 N -1.17 0.67 0.00 0.23 0.00 -0.86 -5.00 105.19 99.06 2nyy n GLY 162 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2nyy n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nyy n ALA 163 N 0.17 0.00 -1.51 4.61 0.00 -0.78 -4.60 120.51 118.40 2nyy n ALA 163 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 2nyy n ALA 163 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2nyy n ALA 163 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2nyy n LEU 164 N -0.46 2.27 0.00 0.00 7.94 -1.10 -4.73 117.00 120.92 2nyy n LEU 164 Ca 0.00 0.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 2nyy n LEU 164 Cb 0.00 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 42.58 2nyy n LEU 164 CO 0.00 -0.90 0.07 0.35 -1.11 0.00 0.00 177.39 175.80 2nyy n THR 165 N 7.53 0.00 -3.80 1.96 -2.24 -1.26 -3.95 114.28 112.52 2nyy n THR 165 Ca 0.40 -0.17 -0.33 0.00 -2.27 0.00 0.00 64.05 61.67 2nyy n THR 165 Cb 0.33 1.54 -0.05 0.00 -2.10 0.00 0.00 70.33 70.05 2nyy n THR 165 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2nyy s SER 166 N -0.06 6.45 -0.30 3.42 1.04 -1.26 -3.93 113.70 119.05 2nyy s SER 166 Ca 0.00 0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.90 2nyy s SER 166 Cb 0.00 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 64.07 2nyy s SER 166 CO 0.00 0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.04 2nyy n GLY 167 N 0.77 0.55 3.65 7.32 0.00 -1.26 -4.84 105.19 111.39 2nyy n GLY 167 Ca -0.09 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 2nyy n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nyy s VAL 168 N -1.86 5.22 -0.10 1.61 1.01 -1.25 -2.77 120.40 122.27 2nyy s VAL 168 Ca 0.00 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.14 2nyy s VAL 168 Cb 0.00 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.97 2nyy s VAL 168 CO 0.00 0.38 -0.21 -1.00 0.00 0.00 0.00 175.10 174.27 2nyy s HIS 169 N 0.88 2.32 -0.07 5.22 3.76 -0.41 -5.03 115.29 121.96 2nyy s HIS 169 Ca 0.07 -0.99 0.02 0.00 -0.15 0.00 0.00 55.06 54.00 2nyy s HIS 169 Cb -0.13 -1.58 0.01 0.00 1.11 0.00 0.00 32.58 31.99 2nyy s HIS 169 CO 0.03 -0.43 -0.12 0.99 -0.85 0.00 0.00 174.74 174.36 2nyy s THR 170 N 0.55 1.13 0.30 1.30 2.01 -1.26 -0.86 115.64 118.81 2nyy s THR 170 Ca -0.15 -0.46 -0.04 0.00 0.31 0.00 0.00 61.69 61.35 2nyy s THR 170 Cb -0.17 -1.04 -0.05 0.00 0.01 0.00 0.00 72.50 71.25 2nyy s THR 170 CO 0.05 0.36 0.56 -0.36 -0.69 0.00 0.00 174.62 174.54 2nyy s PHE 171 N 0.78 3.48 0.27 4.92 0.40 -0.99 -5.03 117.98 121.81 2nyy s PHE 171 Ca -0.12 0.62 -0.29 0.00 -0.60 0.00 0.00 56.93 56.53 2nyy s PHE 171 Cb -0.15 -2.09 -0.14 0.00 0.51 0.00 0.00 43.02 41.15 2nyy s PHE 171 CO 0.02 0.15 1.18 -2.30 0.70 0.00 0.00 175.22 174.97 2nyy n PRO 172 N -1.08 1.63 -1.78 0.24 -0.02 -1.26 -4.70 135.00 128.04 2nyy n PRO 172 Ca -0.02 0.58 -0.36 0.00 -2.02 0.00 0.00 63.50 61.68 2nyy n PRO 172 Cb 0.54 -2.07 0.06 0.00 -0.02 0.00 0.00 33.50 32.01 2nyy n PRO 172 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nyy s ALA 173 N -0.73 2.38 -0.12 3.55 0.00 -1.26 -4.74 121.76 120.84 2nyy s ALA 173 Ca 0.62 1.00 0.03 0.00 0.00 0.00 0.00 51.96 53.61 2nyy s ALA 173 Cb -0.68 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 18.97 2nyy s ALA 173 CO 0.57 -1.47 -0.22 0.14 0.00 0.00 0.00 175.76 174.78 2nyy s VAL 174 N -1.70 2.12 -0.59 0.00 -7.23 -0.42 -4.91 120.40 107.68 2nyy s VAL 174 Ca 0.77 -0.98 -0.27 0.00 -1.81 0.00 0.00 61.98 59.70 2nyy s VAL 174 Cb -0.31 -1.83 -0.01 0.00 0.56 0.00 0.00 36.38 34.78 2nyy s VAL 174 CO 0.38 0.55 1.72 -0.22 -0.31 0.00 0.00 175.10 177.23 2nyy s LEU 175 N 0.61 3.32 0.86 1.32 0.20 -1.26 -2.14 118.68 121.59 2nyy s LEU 175 Ca -0.12 0.35 -0.12 0.00 0.69 0.00 0.00 54.13 54.94 2nyy s LEU 175 Cb -0.17 -2.72 0.11 0.00 -0.43 0.00 0.00 46.19 42.98 2nyy s LEU 175 CO 0.03 -2.14 1.11 -1.10 -0.29 0.00 0.00 176.35 173.95 2nyy s GLN 176 N 6.51 1.53 0.57 1.98 -0.21 -0.87 -4.92 119.66 124.25 2nyy s GLN 176 Ca 0.63 0.53 0.26 0.00 0.02 0.00 0.00 55.36 56.80 2nyy s GLN 176 Cb -0.13 -1.86 1.67 0.00 1.00 0.00 0.00 33.01 33.69 2nyy s GLN 176 CO 0.22 -1.98 2.23 0.66 -2.12 0.00 0.00 175.29 174.29 2nyy h SER 177 N -1.35 0.00 -0.25 5.90 4.64 -1.94 -1.55 113.55 119.00 2nyy h SER 177 Ca -0.49 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.90 2nyy h SER 177 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 2nyy h SER 177 CO 0.60 0.00 0.19 0.77 -0.87 0.00 0.00 176.83 177.52 2nyy h SER 178 N 0.00 0.00 0.00 4.97 4.64 -2.00 -3.45 113.55 117.70 2nyy h SER 178 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2nyy h SER 178 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2nyy h SER 178 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2nyy n GLY 179 N -1.56 0.36 3.77 -0.77 0.00 -0.58 -5.08 105.19 101.33 2nyy n GLY 179 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2nyy n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nyy s LEU 180 N 0.00 3.83 0.70 0.99 1.43 -1.26 -4.87 118.68 119.50 2nyy s LEU 180 Ca 0.00 0.06 -0.10 0.00 -1.03 0.00 0.00 54.13 53.06 2nyy s LEU 180 Cb 0.00 -2.39 0.03 0.00 0.03 0.00 0.00 46.19 43.86 2nyy s LEU 180 CO 0.00 0.22 1.06 -0.31 0.23 0.00 0.00 176.35 177.55 2nyy s TYR 181 N -1.30 3.19 -0.29 0.29 1.51 -0.29 -2.05 117.35 118.41 2nyy s TYR 181 Ca 0.26 0.83 -0.15 0.00 -1.01 0.00 0.00 57.07 57.01 2nyy s TYR 181 Cb -0.12 -3.09 0.10 0.00 -0.11 0.00 0.00 41.96 38.74 2nyy s TYR 181 CO 0.18 -1.24 0.71 0.45 -1.11 0.00 0.00 175.55 174.55 2nyy s SER 182 N -4.41 -0.95 0.34 2.29 0.15 -0.91 -1.31 113.70 108.91 2nyy s SER 182 Ca 0.58 1.46 0.03 0.00 0.70 0.00 0.00 55.95 58.72 2nyy s SER 182 Cb -0.11 1.58 -0.01 0.00 -1.71 0.00 0.00 66.02 65.77 2nyy s SER 182 CO 0.49 -0.22 0.11 0.00 1.20 0.00 0.00 173.24 174.81 2nyy n LEU 183 N 4.53 0.00 -3.70 3.45 -0.00 -0.14 -1.31 117.00 119.83 2nyy n LEU 183 Ca -0.18 -2.57 -0.13 0.00 -0.00 0.00 0.00 56.01 53.13 2nyy n LEU 183 Cb 0.57 0.79 -0.07 0.00 -0.00 0.00 0.00 43.42 44.71 2nyy n LEU 183 CO -0.02 -0.39 0.10 -0.94 -0.00 0.00 0.00 177.39 176.14 2nyy s SER 184 N -3.08 -0.23 -0.08 1.45 1.04 -1.26 -0.18 113.70 111.35 2nyy s SER 184 Ca 0.15 -0.02 -0.04 0.00 0.48 0.00 0.00 55.95 56.52 2nyy s SER 184 Cb 0.01 0.39 0.04 0.00 0.10 0.00 0.00 66.02 66.56 2nyy s SER 184 CO 0.11 -0.61 0.18 -0.55 0.98 0.00 0.00 173.24 173.35 2nyy s SER 185 N -1.88 0.08 0.19 7.02 0.15 0.24 -2.34 113.70 117.16 2nyy s SER 185 Ca -0.07 0.38 0.07 0.00 0.70 0.00 0.00 55.95 57.03 2nyy s SER 185 Cb -0.02 0.30 -0.05 0.00 -1.71 0.00 0.00 66.02 64.54 2nyy s SER 185 CO -0.01 -0.18 -0.14 0.68 1.20 0.00 0.00 173.24 174.79 2nyy s VAL 186 N 1.53 1.62 -0.11 4.45 -7.23 -0.04 -0.66 120.40 119.98 2nyy s VAL 186 Ca -0.06 -2.18 -0.09 0.00 -1.81 0.00 0.00 61.98 57.84 2nyy s VAL 186 Cb -0.11 -2.00 0.03 0.00 0.56 0.00 0.00 36.38 34.85 2nyy s VAL 186 CO -0.07 -0.62 0.28 0.54 -0.31 0.00 0.00 175.10 174.92 2nyy s VAL 187 N -3.03 -0.00 -0.10 1.32 0.11 0.17 -1.29 120.40 117.58 2nyy s VAL 187 Ca 0.21 0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 59.21 2nyy s VAL 187 Cb -0.00 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 2nyy s VAL 187 CO 0.06 0.00 0.15 0.28 -3.33 0.00 0.00 175.10 172.26 2nyy s THR 188 N 0.25 5.48 0.17 5.04 -1.32 -1.11 -1.76 115.64 122.38 2nyy s THR 188 Ca -0.01 0.18 -0.14 0.00 -1.21 0.00 0.00 61.69 60.52 2nyy s THR 188 Cb -0.03 -3.43 0.01 0.00 -1.51 0.00 0.00 72.50 67.55 2nyy s THR 188 CO -0.00 0.58 0.40 0.68 -2.21 0.00 0.00 174.62 174.06 2nyy s VAL 189 N -1.07 0.05 0.58 5.08 -7.23 -0.35 -4.80 120.40 112.66 2nyy s VAL 189 Ca 0.17 -1.01 -0.20 0.00 -1.81 0.00 0.00 61.98 59.13 2nyy s VAL 189 Cb -0.12 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 2nyy s VAL 189 CO 0.06 -0.25 1.29 -2.84 -0.31 0.00 0.00 175.10 173.06 2nyy s PRO 190 N -3.90 2.97 -0.00 4.82 0.02 -1.26 -0.20 135.00 137.45 2nyy s PRO 190 Ca 0.11 2.06 -0.13 0.00 0.02 0.00 0.00 61.00 63.06 2nyy s PRO 190 Cb 0.01 -2.07 -0.07 0.00 0.02 0.00 0.00 34.50 32.39 2nyy s PRO 190 CO -0.04 -1.27 0.78 0.77 -0.33 0.00 0.00 177.00 176.92 2nyy h SER 191 N 1.11 -0.41 0.00 2.53 0.02 -1.87 -3.34 113.55 111.59 2nyy h SER 191 Ca -0.51 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2nyy h SER 191 Cb 1.31 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.95 2nyy h SER 191 CO 0.56 -0.16 0.00 -0.24 -1.14 0.00 0.00 176.83 175.84 2nyy n SER 192 N -3.99 0.00 -4.57 3.07 2.88 -1.26 -3.50 113.62 106.25 2nyy n SER 192 Ca -0.06 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.06 2nyy n SER 192 Cb 0.19 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.62 2nyy n SER 192 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2nyy s SER 193 N 0.00 6.28 0.00 -3.46 1.04 -1.25 -4.52 113.70 111.78 2nyy s SER 193 Ca 0.00 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.28 2nyy s SER 193 Cb 0.00 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2nyy s SER 193 CO 0.00 -1.68 0.00 -0.11 0.98 0.00 0.00 173.24 172.43 2nyy n LEU 194 N 9.02 0.00 -0.11 2.42 7.94 -1.23 -4.55 117.00 130.50 2nyy n LEU 194 Ca 0.06 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.10 2nyy n LEU 194 Cb 0.49 0.37 0.57 0.00 0.53 0.00 0.00 43.42 45.38 2nyy n LEU 194 CO 0.71 -0.49 0.83 0.61 -1.11 0.00 0.00 177.39 177.94 2nyy n GLY 195 N -0.79 -0.98 0.60 -3.96 0.00 -1.26 -4.39 105.19 94.41 2nyy n GLY 195 Ca 0.00 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 2nyy n GLY 195 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2nyy n THR 196 N -1.02 1.08 -2.54 2.61 -2.24 -1.26 -4.94 114.28 105.97 2nyy n THR 196 Ca 0.13 0.08 -0.43 0.00 -2.27 0.00 0.00 64.05 61.56 2nyy n THR 196 Cb 0.29 -1.83 -0.02 0.00 -2.10 0.00 0.00 70.33 66.67 2nyy n THR 196 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2nyy s GLN 197 N -2.34 4.07 -0.06 -0.78 2.00 -1.26 -5.02 119.66 116.26 2nyy s GLN 197 Ca -0.16 1.25 -0.12 0.00 -2.00 0.00 0.00 55.36 54.33 2nyy s GLN 197 Cb 0.04 -3.77 -0.05 0.00 0.80 0.00 0.00 33.01 30.03 2nyy s GLN 197 CO 0.21 -0.91 0.29 0.95 -0.50 0.00 0.00 175.29 175.33 2nyy s THR 198 N 3.80 5.25 -0.07 -0.34 -4.23 -1.26 -4.38 115.64 114.41 2nyy s THR 198 Ca 0.50 0.56 0.04 0.00 -1.18 0.00 0.00 61.69 61.62 2nyy s THR 198 Cb -0.15 -3.58 -0.02 0.00 1.34 0.00 0.00 72.50 70.09 2nyy s THR 198 CO 0.17 0.57 -0.20 -0.31 -0.54 0.00 0.00 174.62 174.31 2nyy s TYR 199 N -0.88 2.57 -0.00 3.99 1.51 -1.26 -5.02 117.35 118.25 2nyy s TYR 199 Ca 0.19 -0.54 0.03 0.00 -1.01 0.00 0.00 57.07 55.74 2nyy s TYR 199 Cb -0.14 -1.65 -0.01 0.00 -0.11 0.00 0.00 41.96 40.05 2nyy s TYR 199 CO 0.09 -0.10 -0.10 0.42 -1.11 0.00 0.00 175.55 174.75 2nyy s ILE 200 N -0.25 0.80 -0.40 2.71 1.01 -1.26 -2.55 121.20 121.26 2nyy s ILE 200 Ca -0.00 -0.51 -0.13 0.00 0.00 0.00 0.00 60.65 60.01 2nyy s ILE 200 Cb -0.13 -0.68 0.03 0.00 0.01 0.00 0.00 42.46 41.69 2nyy s ILE 200 CO 0.03 0.17 0.27 0.00 0.00 0.00 0.00 174.94 175.41 2nyy s ASN 202 N 1.72 6.13 -0.04 0.00 -0.87 0.14 -0.63 114.94 121.40 2nyy s ASN 202 Ca 0.04 -1.63 -0.01 0.00 -1.57 0.00 0.00 52.86 49.69 2nyy s ASN 202 Cb -0.20 -2.18 -0.04 0.00 -0.02 0.00 0.00 41.25 38.81 2nyy s ASN 202 CO 0.08 -0.77 0.04 -0.69 -2.57 0.00 0.00 177.10 173.19 2nyy s VAL 203 N 1.59 4.47 -0.19 1.60 1.01 0.14 -0.75 120.40 128.29 2nyy s VAL 203 Ca 0.03 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 2nyy s VAL 203 Cb -0.28 -2.97 0.07 0.00 0.00 0.00 0.00 36.38 33.21 2nyy s VAL 203 CO 0.04 0.46 0.14 0.20 0.00 0.00 0.00 175.10 175.93 2nyy s ASN 204 N -1.36 2.08 -0.66 3.32 0.01 0.23 -1.33 114.94 117.23 2nyy s ASN 204 Ca 0.18 -0.52 -0.11 0.00 -0.71 0.00 0.00 52.86 51.71 2nyy s ASN 204 Cb -0.12 -0.04 0.17 0.00 0.41 0.00 0.00 41.25 41.67 2nyy s ASN 204 CO 0.08 -0.35 0.56 -2.28 -1.51 0.00 0.00 177.10 173.61 2nyy s HIS 205 N 2.20 3.53 0.24 2.20 5.65 -0.19 -0.93 115.29 127.98 2nyy s HIS 205 Ca 0.04 -2.03 -0.07 0.00 0.25 0.00 0.00 55.06 53.25 2nyy s HIS 205 Cb -0.16 -3.60 0.25 0.00 -1.18 0.00 0.00 32.58 27.89 2nyy s HIS 205 CO -0.11 -0.96 1.90 -0.22 -0.65 0.00 0.00 174.74 174.69 2nyy h LYS 206 N 7.93 1.15 0.00 2.88 3.64 -1.82 0.10 116.57 130.45 2nyy h LYS 206 Ca -0.05 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2nyy h LYS 206 Cb 1.04 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 2nyy h LYS 206 CO 0.81 0.76 0.03 -2.30 -2.27 0.00 0.00 179.45 176.48 2nyy n PRO 207 N -4.48 0.06 0.00 1.90 -0.02 -1.26 -1.19 135.00 130.01 2nyy n PRO 207 Ca 0.11 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2nyy n PRO 207 Cb 0.05 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2nyy n PRO 207 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2nyy n SER 208 N -1.81 1.36 -3.87 2.55 3.41 -1.12 -4.94 113.62 109.19 2nyy n SER 208 Ca -0.01 -1.47 -0.33 0.00 -0.26 0.00 0.00 58.87 56.80 2nyy n SER 208 Cb 0.04 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.01 2nyy n SER 208 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2nyy n ASN 209 N -0.24 -3.23 -4.07 4.04 3.02 -0.33 -4.96 115.26 109.49 2nyy n ASN 209 Ca 0.00 -1.08 -0.34 0.00 -0.03 0.00 0.00 54.58 53.13 2nyy n ASN 209 Cb 0.16 -2.86 -0.13 0.00 -0.61 0.00 0.00 39.78 36.35 2nyy n ASN 209 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2nyy s THR 210 N -3.68 2.91 -0.34 3.41 2.01 -0.01 -5.02 115.64 114.92 2nyy s THR 210 Ca 0.31 -2.28 -0.15 0.00 0.31 0.00 0.00 61.69 59.88 2nyy s THR 210 Cb -0.13 -3.04 -0.01 0.00 0.01 0.00 0.00 72.50 69.33 2nyy s THR 210 CO 0.90 -0.68 0.35 -0.54 -0.69 0.00 0.00 174.62 173.97 2nyy s LYS 211 N 0.91 3.60 -0.12 4.92 3.01 -1.26 -1.03 119.74 129.78 2nyy s LYS 211 Ca 0.10 -0.39 0.01 0.00 -1.01 0.00 0.00 55.97 54.68 2nyy s LYS 211 Cb -0.21 -3.79 -0.02 0.00 -1.01 0.00 0.00 37.83 32.80 2nyy s LYS 211 CO -0.05 -0.50 -0.14 0.08 0.51 0.00 0.00 175.35 175.25 2nyy s VAL 212 N 2.00 2.99 -0.59 3.17 1.01 -0.44 -4.99 120.40 123.55 2nyy s VAL 212 Ca 0.12 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.42 2nyy s VAL 212 Cb -0.16 -2.24 0.15 0.00 0.00 0.00 0.00 36.38 34.13 2nyy s VAL 212 CO 0.11 0.54 0.36 -1.81 0.00 0.00 0.00 175.10 174.30 2nyy s ASP 213 N 0.20 4.74 -0.02 3.32 1.01 -1.25 0.28 116.67 124.94 2nyy s ASP 213 Ca -0.08 -3.06 -0.19 0.00 0.71 0.00 0.00 52.55 49.92 2nyy s ASP 213 Cb -0.15 -1.73 -0.05 0.00 1.01 0.00 0.00 42.92 42.00 2nyy s ASP 213 CO 0.05 -0.26 0.55 -0.75 0.21 0.00 0.00 175.17 174.97 2nyy s LYS 214 N -0.36 4.27 -0.20 8.23 2.47 0.20 -4.80 119.74 129.55 2nyy s LYS 214 Ca 0.18 0.65 -0.15 0.00 -1.56 0.00 0.00 55.97 55.09 2nyy s LYS 214 Cb -0.22 -3.34 -0.04 0.00 -1.46 0.00 0.00 37.83 32.77 2nyy s LYS 214 CO -0.03 0.39 0.35 0.21 0.16 0.00 0.00 175.35 176.43 2nyy s LYS 215 N -0.21 4.18 -0.14 4.03 2.20 -1.26 1.00 119.74 129.53 2nyy s LYS 215 Ca 0.29 0.13 -0.05 0.00 -0.36 0.00 0.00 55.97 55.98 2nyy s LYS 215 Cb -0.18 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 2nyy s LYS 215 CO 0.16 0.02 0.03 0.08 -0.36 0.00 0.00 175.35 175.28 2nyy s VAL 216 N 1.12 4.50 0.18 4.02 1.01 -1.06 -4.93 120.40 125.24 2nyy s VAL 216 Ca 0.17 -0.15 -0.24 0.00 0.00 0.00 0.00 61.98 61.76 2nyy s VAL 216 Cb -0.14 -2.97 0.06 0.00 0.00 0.00 0.00 36.38 33.33 2nyy s VAL 216 CO 0.07 0.53 0.93 -1.83 0.00 0.00 0.00 175.10 174.80 2nyy s GLU 217 N -0.15 1.32 0.00 2.72 -1.05 -1.26 -4.36 118.70 115.91 2nyy s GLU 217 Ca 0.06 -0.75 0.01 0.00 -0.15 0.00 0.00 54.97 54.14 2nyy s GLU 217 Cb -0.12 0.44 0.05 0.00 -0.44 0.00 0.00 34.13 34.05 2nyy s GLU 217 CO 0.02 -0.61 0.54 -2.30 0.95 0.00 0.00 175.26 173.86