#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdm s GLN 3 N 0.00 1.05 -0.09 5.55 -2.07 -0.18 -4.98 119.66 118.94 3kdm s GLN 3 Ca 0.00 -1.06 0.01 0.00 -1.82 0.00 0.00 55.36 52.49 3kdm s GLN 3 Cb 0.00 0.38 0.02 0.00 -1.09 0.00 0.00 33.01 32.31 3kdm s GLN 3 CO 0.00 -0.37 -0.10 -0.51 -1.32 0.00 0.00 175.29 172.99 3kdm s LEU 4 N -2.92 1.43 -0.18 2.60 1.43 -1.26 -1.13 118.68 118.65 3kdm s LEU 4 Ca 0.12 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 3kdm s LEU 4 Cb 0.04 -0.81 0.02 0.00 0.03 0.00 0.00 46.19 45.47 3kdm s LEU 4 CO -0.05 -0.04 -0.19 -0.69 0.23 0.00 0.00 176.35 175.61 3kdm s VAL 5 N 1.13 2.05 0.25 -1.59 1.01 0.81 -4.08 120.40 119.97 3kdm s VAL 5 Ca -0.06 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 60.94 3kdm s VAL 5 Cb -0.14 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3kdm s VAL 5 CO -0.02 0.49 0.44 -1.61 0.00 0.00 0.00 175.10 174.40 3kdm s GLU 6 N 1.29 3.51 0.21 2.72 2.02 -1.26 -0.70 118.70 126.49 3kdm s GLU 6 Ca 0.04 -0.36 -0.23 0.00 0.02 0.00 0.00 54.97 54.45 3kdm s GLU 6 Cb -0.14 -2.79 0.05 0.00 0.10 0.00 0.00 34.13 31.35 3kdm s GLU 6 CO -0.12 0.33 0.71 -1.54 0.02 0.00 0.00 175.26 174.66 3kdm s SER 7 N -3.46 -0.37 0.00 -0.19 1.04 -0.66 -4.95 113.70 105.11 3kdm s SER 7 Ca 0.39 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.47 3kdm s SER 7 Cb -0.10 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3kdm s SER 7 CO 0.31 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 174.00 3kdm n GLY 8 N -0.42 0.77 3.88 7.32 0.00 -1.26 -0.97 105.19 114.52 3kdm n GLY 8 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 3kdm n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kdm s GLY 9 N -1.04 1.63 0.00 -0.02 0.00 -1.26 -4.50 107.32 102.12 3kdm s GLY 9 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.40 3kdm s GLY 9 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 173.10 173.72 3kdm n GLY 10 N -2.88 -0.65 3.84 0.20 0.00 -0.30 -4.91 105.19 100.49 3kdm n GLY 10 Ca 0.06 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.87 3kdm n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kdm s LEU 11 N 0.00 4.45 -0.13 0.99 2.96 -1.26 -1.31 118.68 124.38 3kdm s LEU 11 Ca 0.00 0.85 -0.10 0.00 -0.22 0.00 0.00 54.13 54.66 3kdm s LEU 11 Cb 0.00 -2.48 0.04 0.00 0.50 0.00 0.00 46.19 44.24 3kdm s LEU 11 CO 0.00 0.33 0.33 0.54 -1.32 0.00 0.00 176.35 176.23 3kdm s VAL 12 N -0.99 -0.01 0.54 1.68 0.11 -0.30 -4.95 120.40 116.48 3kdm s VAL 12 Ca 0.22 0.03 -0.20 0.00 -2.93 0.00 0.00 61.98 59.10 3kdm s VAL 12 Cb -0.16 -0.48 -0.06 0.00 -1.53 0.00 0.00 36.38 34.16 3kdm s VAL 12 CO 0.11 0.01 1.15 -1.10 -3.33 0.00 0.00 175.10 171.94 3kdm s GLN 13 N 0.49 3.34 -0.17 1.54 -1.52 -1.25 -2.27 119.66 119.82 3kdm s GLN 13 Ca -0.03 1.66 -0.32 0.00 -1.95 0.00 0.00 55.36 54.73 3kdm s GLN 13 Cb -0.04 -2.04 -0.09 0.00 -0.22 0.00 0.00 33.01 30.62 3kdm s GLN 13 CO -0.03 -0.87 2.08 -2.30 -0.25 0.00 0.00 175.29 173.92 3kdm n PRO 14 N -1.26 1.96 0.00 2.91 -0.02 -1.26 -1.71 135.00 135.62 3kdm n PRO 14 Ca 0.11 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3kdm n PRO 14 Cb 0.50 -2.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 3kdm n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kdm n GLY 15 N 5.35 1.74 0.00 -1.23 0.00 -1.02 -4.82 105.19 105.21 3kdm n GLY 15 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 3kdm n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kdm n GLY 16 N 0.00 -0.92 2.98 -0.02 0.00 -0.69 -3.68 105.19 102.86 3kdm n GLY 16 Ca 0.00 -1.66 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 3kdm n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kdm s SER 17 N -1.00 0.18 0.04 1.61 0.01 -1.25 -3.77 113.70 109.52 3kdm s SER 17 Ca 0.00 -0.40 -0.02 0.00 1.31 0.00 0.00 55.95 56.84 3kdm s SER 17 Cb 0.00 0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.31 3kdm s SER 17 CO 0.00 -0.27 0.02 -0.22 0.41 0.00 0.00 173.24 173.18 3kdm s LEU 18 N -1.25 2.17 -0.10 2.44 2.96 -1.24 -5.00 118.68 118.67 3kdm s LEU 18 Ca -0.14 -0.71 0.00 0.00 -0.22 0.00 0.00 54.13 53.07 3kdm s LEU 18 Cb -0.08 0.33 0.02 0.00 0.50 0.00 0.00 46.19 46.96 3kdm s LEU 18 CO -0.01 -0.49 -0.08 -0.13 -1.32 0.00 0.00 176.35 174.31 3kdm s ARG 19 N -2.84 1.51 0.23 1.98 0.52 -1.26 -2.97 118.95 116.12 3kdm s ARG 19 Ca -0.03 -0.28 -0.07 0.00 -0.52 0.00 0.00 55.73 54.83 3kdm s ARG 19 Cb 0.00 -1.48 -0.06 0.00 0.52 0.00 0.00 34.95 33.93 3kdm s ARG 19 CO -0.06 -0.18 0.51 -0.51 0.02 0.00 0.00 175.30 175.08 3kdm s LEU 20 N 1.38 4.16 0.01 2.53 1.43 -0.53 -4.58 118.68 123.08 3kdm s LEU 20 Ca -0.01 0.78 0.06 0.00 -1.03 0.00 0.00 54.13 53.92 3kdm s LEU 20 Cb -0.14 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 3kdm s LEU 20 CO -0.04 -0.08 -0.18 -0.44 0.23 0.00 0.00 176.35 175.84 3kdm s SER 21 N -2.62 2.12 -0.24 2.29 0.01 -0.14 -2.06 113.70 113.06 3kdm s SER 21 Ca 0.45 -0.40 -0.02 0.00 1.31 0.00 0.00 55.95 57.29 3kdm s SER 21 Cb -0.11 -0.20 0.07 0.00 0.21 0.00 0.00 66.02 65.99 3kdm s SER 21 CO 0.25 0.17 0.05 0.00 0.41 0.00 0.00 173.24 174.12 3kdm s ALA 23 N 1.75 3.51 0.10 0.00 0.00 0.12 -0.37 121.76 126.86 3kdm s ALA 23 Ca 0.02 -1.13 -0.13 0.00 0.00 0.00 0.00 51.96 50.72 3kdm s ALA 23 Cb -0.17 -2.79 -0.06 0.00 0.00 0.00 0.00 23.12 20.09 3kdm s ALA 23 CO -0.14 -0.99 0.48 0.00 0.00 0.00 0.00 175.76 175.11 3kdm s ALA 24 N 2.03 3.65 0.15 0.00 0.00 -1.19 -0.13 121.76 126.26 3kdm s ALA 24 Ca 0.12 -0.23 -0.15 0.00 0.00 0.00 0.00 51.96 51.70 3kdm s ALA 24 Cb -0.16 -2.41 0.02 0.00 0.00 0.00 0.00 23.12 20.57 3kdm s ALA 24 CO 0.11 0.50 0.41 -1.54 0.00 0.00 0.00 175.76 175.24 3kdm s SER 25 N -1.63 -0.18 0.00 0.00 1.04 -0.28 -4.93 113.70 107.72 3kdm s SER 25 Ca 0.34 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.30 3kdm s SER 25 Cb -0.15 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.46 3kdm s SER 25 CO 0.18 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.10 3kdm n GLY 26 N -0.25 0.84 3.66 7.32 0.00 -1.26 -1.01 105.19 114.49 3kdm n GLY 26 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 3kdm n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kdm s PHE 27 N -3.29 0.45 -1.14 1.61 -0.71 -1.26 -4.47 117.98 109.17 3kdm s PHE 27 Ca 0.00 -0.89 -0.14 0.00 -1.04 0.00 0.00 56.93 54.86 3kdm s PHE 27 Cb 0.00 0.39 0.18 0.00 -1.21 0.00 0.00 43.02 42.38 3kdm s PHE 27 CO 0.00 -1.28 1.32 0.99 -1.34 0.00 0.00 175.22 174.91 3kdm s THR 28 N -3.06 5.13 0.35 -4.49 2.01 -1.26 -4.89 115.64 109.42 3kdm s THR 28 Ca 0.21 -2.57 0.16 0.00 0.31 0.00 0.00 61.69 59.80 3kdm s THR 28 Cb -0.03 -4.84 0.34 0.00 0.01 0.00 0.00 72.50 67.99 3kdm s THR 28 CO 0.13 -1.53 1.66 0.15 -0.69 0.00 0.00 174.62 174.35 3kdm h PHE 29 N 7.38 0.90 0.00 4.92 3.57 -1.96 -0.04 116.94 131.71 3kdm h PHE 29 Ca 0.27 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 3kdm h PHE 29 Cb 0.90 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 3kdm h PHE 29 CO 1.07 -0.19 -0.11 0.66 -2.23 0.00 0.00 178.31 177.50 3kdm h SER 30 N 0.29 0.00 1.16 0.41 4.64 -1.90 -3.07 113.55 115.08 3kdm h SER 30 Ca 0.74 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.06 3kdm h SER 30 Cb 1.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.84 3kdm h SER 30 CO -0.60 0.11 0.00 0.28 -0.87 0.00 0.00 176.83 175.75 3kdm h SER 31 N 0.00 0.00 -4.18 4.97 0.02 -1.26 -3.05 113.55 110.05 3kdm h SER 31 Ca -0.00 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.26 3kdm h SER 31 Cb 0.56 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 62.85 3kdm h SER 31 CO 0.01 0.00 -0.88 -0.31 -1.14 0.00 0.00 176.83 174.52 3kdm s TYR 32 N -3.56 2.31 0.56 3.45 1.51 -1.16 -4.67 117.35 115.79 3kdm s TYR 32 Ca 0.02 -0.40 -0.18 0.00 -1.01 0.00 0.00 57.07 55.50 3kdm s TYR 32 Cb 0.08 -1.34 -0.05 0.00 -0.11 0.00 0.00 41.96 40.54 3kdm s TYR 32 CO 0.55 0.19 1.08 0.00 -1.11 0.00 0.00 175.55 176.27 3kdm s ALA 33 N -0.89 2.71 0.09 3.71 0.00 -1.25 -3.58 121.76 122.56 3kdm s ALA 33 Ca 0.12 0.60 0.09 0.00 0.00 0.00 0.00 51.96 52.77 3kdm s ALA 33 Cb -0.10 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 3kdm s ALA 33 CO 0.03 -0.76 -0.23 -1.64 0.00 0.00 0.00 175.76 173.17 3kdm s MET 34 N -3.64 1.30 0.09 0.00 -1.94 0.20 -1.67 119.30 113.65 3kdm s MET 34 Ca 0.68 -1.14 0.05 0.00 -1.71 0.00 0.00 55.69 53.56 3kdm s MET 34 Cb -0.19 -1.57 -0.03 0.00 2.01 0.00 0.00 34.83 35.04 3kdm s MET 34 CO 0.31 0.38 -0.12 0.45 -0.01 0.00 0.00 175.02 176.02 3kdm s SER 35 N -1.70 1.64 0.04 3.03 0.15 0.25 0.12 113.70 117.22 3kdm s SER 35 Ca 0.09 -0.73 0.08 0.00 0.70 0.00 0.00 55.95 56.08 3kdm s SER 35 Cb -0.10 -0.03 -0.03 0.00 -1.71 0.00 0.00 66.02 64.15 3kdm s SER 35 CO 0.04 -0.17 -0.22 0.26 1.20 0.00 0.00 173.24 174.35 3kdm s TRP 36 N -1.93 2.46 -0.03 3.44 0.52 0.00 -0.42 118.94 122.98 3kdm s TRP 36 Ca 0.03 -0.32 -0.05 0.00 0.02 0.00 0.00 56.10 55.78 3kdm s TRP 36 Cb -0.06 -1.43 0.01 0.00 -1.15 0.00 0.00 33.47 30.84 3kdm s TRP 36 CO 0.02 0.20 0.13 0.08 0.02 0.00 0.00 176.95 177.39 3kdm s VAL 37 N -0.87 0.03 0.23 4.03 1.01 -0.64 -0.93 120.40 123.26 3kdm s VAL 37 Ca 0.13 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 61.92 3kdm s VAL 37 Cb -0.10 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 3kdm s VAL 37 CO 0.04 -0.14 -0.07 0.00 0.00 0.00 0.00 175.10 174.93 3kdm s ARG 38 N -0.43 1.37 -0.23 2.72 1.70 0.87 -0.76 118.95 124.19 3kdm s ARG 38 Ca -0.05 -1.66 -0.04 0.00 -0.47 0.00 0.00 55.73 53.50 3kdm s ARG 38 Cb -0.03 -0.91 0.09 0.00 -0.57 0.00 0.00 34.95 33.52 3kdm s ARG 38 CO 0.00 0.04 0.14 -1.14 -1.08 0.00 0.00 175.30 173.26 3kdm s GLN 39 N -3.75 0.15 0.54 3.89 0.74 -0.02 -0.41 119.66 120.79 3kdm s GLN 39 Ca 0.26 -0.23 -0.21 0.00 0.05 0.00 0.00 55.36 55.22 3kdm s GLN 39 Cb 0.03 -1.38 -0.05 0.00 1.10 0.00 0.00 33.01 32.71 3kdm s GLN 39 CO 0.08 -0.84 1.27 0.00 -0.55 0.00 0.00 175.29 175.25 3kdm s ALA 40 N 2.17 2.79 -0.24 1.58 0.00 -1.26 -1.58 121.76 125.21 3kdm s ALA 40 Ca 0.06 1.15 -0.37 0.00 0.00 0.00 0.00 51.96 52.80 3kdm s ALA 40 Cb -0.16 -3.49 -0.13 0.00 0.00 0.00 0.00 23.12 19.34 3kdm s ALA 40 CO -0.23 -1.14 1.91 -2.30 0.00 0.00 0.00 175.76 174.00 3kdm n PRO 41 N -1.03 1.44 -1.11 0.00 -0.02 -1.26 -0.13 135.00 132.90 3kdm n PRO 41 Ca 0.10 0.50 -0.04 0.00 -2.02 0.00 0.00 63.50 62.05 3kdm n PRO 41 Cb 0.47 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 3kdm n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kdm n GLY 42 N 4.91 0.66 0.36 -1.23 0.00 -1.26 -5.02 105.19 103.60 3kdm n GLY 42 Ca 0.29 -0.50 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 3kdm n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kdm n LYS 43 N -2.49 1.70 -1.81 1.61 4.76 0.82 -5.14 118.16 117.60 3kdm n LYS 43 Ca -0.04 -0.35 -0.21 0.00 -2.87 0.00 0.00 58.31 54.84 3kdm n LYS 43 Cb 0.17 0.07 0.13 0.00 -1.84 0.00 0.00 35.03 33.57 3kdm n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kdm n GLY 44 N 4.39 -0.51 3.73 0.72 0.00 -1.26 -4.71 105.19 107.55 3kdm n GLY 44 Ca -0.01 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 3kdm n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kdm s LEU 45 N 0.00 4.51 -0.10 0.99 1.43 -1.26 -4.23 118.68 120.01 3kdm s LEU 45 Ca 0.57 1.87 0.02 0.00 -1.03 0.00 0.00 54.13 55.56 3kdm s LEU 45 Cb -0.02 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.62 3kdm s LEU 45 CO 0.39 -0.08 -0.15 -0.70 0.23 0.00 0.00 176.35 176.04 3kdm s GLU 46 N -0.18 2.19 0.30 1.70 2.12 0.45 -4.98 118.70 120.30 3kdm s GLU 46 Ca 0.47 -0.55 -0.29 0.00 0.36 0.00 0.00 54.97 54.96 3kdm s GLU 46 Cb -0.25 -1.85 -0.10 0.00 0.26 0.00 0.00 34.13 32.20 3kdm s GLU 46 CO 0.31 -0.05 1.16 -0.46 -0.54 0.00 0.00 175.26 175.69 3kdm s TRP 47 N 0.94 3.41 -0.06 5.30 -0.00 -1.26 -0.09 118.94 127.18 3kdm s TRP 47 Ca -0.08 1.61 -0.03 0.00 -0.00 0.00 0.00 56.10 57.61 3kdm s TRP 47 Cb -0.15 -3.40 -0.03 0.00 -0.00 0.00 0.00 33.47 29.89 3kdm s TRP 47 CO -0.01 -0.95 -0.08 0.28 -0.00 0.00 0.00 176.95 176.20 3kdm n VAL 48 N 1.05 0.34 -3.51 5.86 0.31 -0.10 -4.38 118.33 117.89 3kdm n VAL 48 Ca -0.01 -0.08 -0.08 0.00 -0.01 0.00 0.00 64.34 64.15 3kdm n VAL 48 Cb 0.44 -1.58 -0.02 0.00 -0.91 0.00 0.00 33.84 31.76 3kdm n VAL 48 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3kdm s SER 49 N -5.55 -0.36 0.08 4.52 0.15 -0.88 -2.87 113.70 108.79 3kdm s SER 49 Ca -0.09 0.04 -0.09 0.00 0.70 0.00 0.00 55.95 56.51 3kdm s SER 49 Cb 0.03 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 3kdm s SER 49 CO 0.11 -0.58 0.20 0.00 1.20 0.00 0.00 173.24 174.16 3kdm s ALA 50 N -2.92 -0.28 -0.04 5.45 0.00 -1.23 -0.82 121.76 121.92 3kdm s ALA 50 Ca 0.05 -0.53 -0.03 0.00 0.00 0.00 0.00 51.96 51.44 3kdm s ALA 50 Cb -0.01 0.45 0.02 0.00 0.00 0.00 0.00 23.12 23.57 3kdm s ALA 50 CO -0.08 -0.48 0.11 -1.50 0.00 0.00 0.00 175.76 173.81 3kdm s ILE 51 N -3.59 -0.01 0.90 0.00 2.07 0.12 -3.54 121.20 117.16 3kdm s ILE 51 Ca 0.03 0.03 -0.10 0.00 -1.41 0.00 0.00 60.65 59.20 3kdm s ILE 51 Cb 0.04 -0.17 0.14 0.00 0.13 0.00 0.00 42.46 42.60 3kdm s ILE 51 CO -0.10 0.01 1.12 -0.94 -1.91 0.00 0.00 174.94 173.13 3kdm s SER 52 N 0.25 3.13 0.06 4.50 1.04 -1.24 0.60 113.70 122.04 3kdm s SER 52 Ca -0.02 2.01 -0.37 0.00 0.48 0.00 0.00 55.95 58.05 3kdm s SER 52 Cb -0.03 -2.51 -0.20 0.00 0.10 0.00 0.00 66.02 63.38 3kdm s SER 52 CO -0.01 -2.94 1.56 1.23 0.98 0.00 0.00 173.24 174.06 3kdm h GLY 53 N -1.76 -1.40 1.00 7.32 0.00 -1.76 -1.95 103.07 104.52 3kdm h GLY 53 Ca -0.45 0.53 0.12 0.00 0.00 0.00 0.00 47.33 47.54 3kdm h GLY 53 CO 0.45 -0.50 0.38 1.48 0.00 0.00 0.00 176.54 178.36 3kdm h SER 54 N -1.31 0.00 0.00 0.19 4.64 -1.85 -3.43 113.55 111.79 3kdm h SER 54 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3kdm h SER 54 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3kdm h SER 54 CO 0.19 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 3kdm n GLY 55 N -1.53 1.49 1.33 -0.77 0.00 -0.73 -4.95 105.19 100.03 3kdm n GLY 55 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.09 3kdm n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kdm n GLY 56 N 0.00 2.53 3.40 -0.02 0.00 -1.26 -4.65 105.19 105.19 3kdm n GLY 56 Ca 0.00 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 3kdm n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kdm s SER 57 N -0.36 -0.49 0.02 1.61 0.01 -1.26 -4.99 113.70 108.24 3kdm s SER 57 Ca 0.29 0.05 -0.14 0.00 1.31 0.00 0.00 55.95 57.46 3kdm s SER 57 Cb 0.23 0.55 0.02 0.00 0.21 0.00 0.00 66.02 67.02 3kdm s SER 57 CO 0.08 -0.86 0.29 0.42 0.41 0.00 0.00 173.24 173.58 3kdm s THR 58 N -3.23 0.07 0.08 1.44 -4.23 -1.26 -3.72 115.64 104.79 3kdm s THR 58 Ca -0.01 -0.61 -0.09 0.00 -1.18 0.00 0.00 61.69 59.80 3kdm s THR 58 Cb -0.00 -0.77 -0.00 0.00 1.34 0.00 0.00 72.50 73.07 3kdm s THR 58 CO -0.08 -0.33 0.19 -0.31 -0.54 0.00 0.00 174.62 173.54 3kdm s TYR 59 N -1.95 0.14 -0.06 3.99 2.02 -1.23 -5.01 117.35 115.25 3kdm s TYR 59 Ca -0.09 -0.53 -0.09 0.00 -0.37 0.00 0.00 57.07 55.99 3kdm s TYR 59 Cb -0.03 -0.06 0.02 0.00 -0.40 0.00 0.00 41.96 41.49 3kdm s TYR 59 CO 0.00 -0.52 0.22 0.71 -1.57 0.00 0.00 175.55 174.39 3kdm s TYR 60 N -3.65 -0.18 0.33 2.71 2.02 -1.26 -3.54 117.35 113.78 3kdm s TYR 60 Ca 0.03 0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 56.84 3kdm s TYR 60 Cb 0.04 0.06 -0.12 0.00 -0.40 0.00 0.00 41.96 41.54 3kdm s TYR 60 CO -0.10 -0.19 1.51 0.00 -1.57 0.00 0.00 175.55 175.20 3kdm n ALA 61 N 2.41 2.27 0.57 3.71 0.00 -1.14 -4.76 120.51 123.57 3kdm n ALA 61 Ca -0.16 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3kdm n ALA 61 Cb 0.57 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.61 3kdm n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kdm n ASP 62 N 1.34 1.66 -0.09 0.00 8.00 -1.26 -0.69 116.55 125.51 3kdm n ASP 62 Ca 0.05 -1.14 -0.10 0.00 0.71 0.00 0.00 54.79 54.31 3kdm n ASP 62 Cb 0.37 -0.29 -0.16 0.00 -0.02 0.00 0.00 41.12 41.03 3kdm n ASP 62 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3kdm n SER 63 N 0.69 0.12 -0.04 -2.24 3.41 -1.26 -4.71 113.62 109.59 3kdm n SER 63 Ca 0.00 0.04 0.01 0.00 -0.26 0.00 0.00 58.87 58.66 3kdm n SER 63 Cb 0.28 0.87 0.00 0.00 -0.26 0.00 0.00 64.21 65.10 3kdm n SER 63 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3kdm n VAL 64 N -2.79 0.00 -1.70 -3.33 0.24 0.14 -5.00 118.33 105.89 3kdm n VAL 64 Ca -0.32 -0.48 -0.44 0.00 -2.04 0.00 0.00 64.34 61.06 3kdm n VAL 64 Cb 1.15 1.02 -0.03 0.00 -1.47 0.00 0.00 33.84 34.50 3kdm n VAL 64 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 3kdm n LYS 65 N -0.38 2.57 0.00 7.34 2.85 -1.07 -1.32 118.16 128.15 3kdm n LYS 65 Ca 0.01 0.93 0.00 0.00 -1.05 0.00 0.00 58.31 58.20 3kdm n LYS 65 Cb 0.04 -2.76 0.00 0.00 -0.65 0.00 0.00 35.03 31.65 3kdm n LYS 65 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3kdm n GLY 66 N 3.88 3.11 0.13 2.58 0.00 -1.26 -4.80 105.19 108.83 3kdm n GLY 66 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 3kdm n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kdm n ARG 67 N -1.84 0.70 -4.04 1.61 1.74 -0.44 -4.99 116.66 109.41 3kdm n ARG 67 Ca 0.00 0.20 -0.26 0.00 -0.77 0.00 0.00 57.85 57.02 3kdm n ARG 67 Cb 0.00 -1.63 -0.05 0.00 -1.02 0.00 0.00 32.46 29.76 3kdm n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3kdm s PHE 68 N -2.54 3.26 -0.15 -1.55 0.40 -0.90 -2.30 117.98 114.20 3kdm s PHE 68 Ca -0.24 0.03 -0.04 0.00 -0.60 0.00 0.00 56.93 56.08 3kdm s PHE 68 Cb 0.08 -1.56 0.05 0.00 0.51 0.00 0.00 43.02 42.09 3kdm s PHE 68 CO 0.72 0.52 0.07 0.99 0.70 0.00 0.00 175.22 178.21 3kdm s THR 69 N -1.74 0.07 0.07 0.64 2.01 -0.19 -4.88 115.64 111.62 3kdm s THR 69 Ca 0.32 -0.13 -0.23 0.00 0.31 0.00 0.00 61.69 61.95 3kdm s THR 69 Cb -0.10 -0.60 -0.06 0.00 0.01 0.00 0.00 72.50 71.74 3kdm s THR 69 CO 0.25 -0.16 0.70 -0.51 -0.69 0.00 0.00 174.62 174.21 3kdm s ILE 70 N 2.07 4.68 0.12 1.82 2.07 -1.26 -1.23 121.20 129.48 3kdm s ILE 70 Ca 0.02 1.51 -0.07 0.00 -1.41 0.00 0.00 60.65 60.69 3kdm s ILE 70 Cb -0.15 -4.05 -0.01 0.00 0.13 0.00 0.00 42.46 38.38 3kdm s ILE 70 CO -0.08 0.44 0.20 -0.94 -1.91 0.00 0.00 174.94 172.65 3kdm s SER 71 N -0.52 0.14 -0.32 4.50 1.04 -1.11 -5.00 113.70 112.44 3kdm s SER 71 Ca 0.35 -0.83 -0.01 0.00 0.48 0.00 0.00 55.95 55.94 3kdm s SER 71 Cb -0.21 0.36 0.11 0.00 0.10 0.00 0.00 66.02 66.38 3kdm s SER 71 CO 0.22 -0.78 0.12 0.00 0.98 0.00 0.00 173.24 173.78 3kdm s ARG 72 N -3.93 0.62 -0.66 4.02 1.70 -1.26 -0.29 118.95 119.14 3kdm s ARG 72 Ca 0.12 -1.03 -0.27 0.00 -0.47 0.00 0.00 55.73 54.08 3kdm s ARG 72 Cb 0.05 -1.77 -0.12 0.00 -0.57 0.00 0.00 34.95 32.53 3kdm s ARG 72 CO -0.05 -1.02 2.48 -3.47 -1.08 0.00 0.00 175.30 172.16 3kdm n ASP 73 N 4.79 1.63 -0.09 -2.89 -0.08 -1.23 -4.62 116.55 114.06 3kdm n ASP 73 Ca -0.01 -0.43 -0.03 0.00 -1.51 0.00 0.00 54.79 52.81 3kdm n ASP 73 Cb 0.41 -1.39 0.20 0.00 2.34 0.00 0.00 41.12 42.68 3kdm n ASP 73 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 3kdm h ASN 74 N 16.85 0.70 0.27 1.67 2.35 -1.93 -1.64 115.58 133.84 3kdm h ASN 74 Ca -0.16 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.43 3kdm h ASN 74 Cb 1.25 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.44 3kdm h ASN 74 CO 1.22 0.74 -0.08 0.77 -1.65 0.00 0.00 177.43 178.43 3kdm h SER 75 N 0.70 0.00 1.15 5.81 4.64 -1.93 0.12 113.55 124.05 3kdm h SER 75 Ca 0.15 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.38 3kdm h SER 75 Cb 0.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 3kdm h SER 75 CO 0.01 0.08 -0.89 0.11 -0.87 0.00 0.00 176.83 175.27 3kdm h LYS 76 N 0.00 0.00 -1.04 4.77 1.57 -1.74 -3.48 116.57 116.66 3kdm h LYS 76 Ca -0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 3kdm h LYS 76 Cb 0.23 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 3kdm h LYS 76 CO 0.01 0.24 -0.25 -1.71 -0.57 0.00 0.00 179.45 177.17 3kdm n ASN 77 N -2.95 -4.02 -4.22 0.86 5.15 0.42 -5.01 115.26 105.50 3kdm n ASN 77 Ca -0.02 0.14 -0.17 0.00 -0.60 0.00 0.00 54.58 53.92 3kdm n ASN 77 Cb 0.70 -2.86 -0.11 0.00 -0.53 0.00 0.00 39.78 36.98 3kdm n ASN 77 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3kdm s THR 78 N -2.48 1.24 0.14 -0.44 -4.23 -1.22 -3.16 115.64 105.48 3kdm s THR 78 Ca 0.00 -1.65 0.06 0.00 -1.18 0.00 0.00 61.69 58.92 3kdm s THR 78 Cb 0.00 -1.44 -0.04 0.00 1.34 0.00 0.00 72.50 72.36 3kdm s THR 78 CO 0.00 -0.41 0.05 -0.22 -0.54 0.00 0.00 174.62 173.50 3kdm s LEU 79 N -2.35 3.56 0.14 4.79 2.96 0.50 -3.58 118.68 124.70 3kdm s LEU 79 Ca 0.07 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 53.81 3kdm s LEU 79 Cb -0.05 -2.22 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 3kdm s LEU 79 CO 0.02 0.11 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.75 3kdm s TYR 80 N -1.61 1.27 -0.11 5.38 1.51 0.60 -0.19 117.35 124.19 3kdm s TYR 80 Ca 0.28 -0.73 -0.07 0.00 -1.01 0.00 0.00 57.07 55.55 3kdm s TYR 80 Cb -0.10 -0.65 0.04 0.00 -0.11 0.00 0.00 41.96 41.14 3kdm s TYR 80 CO 0.21 0.09 0.27 -1.17 -1.11 0.00 0.00 175.55 173.83 3kdm s LEU 81 N -3.07 0.51 -0.15 -1.29 2.96 -0.87 -2.74 118.68 114.03 3kdm s LEU 81 Ca 0.15 0.56 0.01 0.00 -0.22 0.00 0.00 54.13 54.63 3kdm s LEU 81 Cb 0.02 0.84 -0.00 0.00 0.50 0.00 0.00 46.19 47.54 3kdm s LEU 81 CO 0.01 -0.15 -0.16 -1.58 -1.32 0.00 0.00 176.35 173.15 3kdm s GLN 82 N 0.99 3.20 -0.19 1.98 2.00 -0.36 -1.45 119.66 125.83 3kdm s GLN 82 Ca -0.07 -0.76 0.01 0.00 -2.00 0.00 0.00 55.36 52.54 3kdm s GLN 82 Cb -0.08 -2.59 0.04 0.00 0.80 0.00 0.00 33.01 31.17 3kdm s GLN 82 CO -0.07 0.03 -0.13 -1.64 -0.50 0.00 0.00 175.29 172.99 3kdm s MET 83 N 0.76 2.23 0.36 1.67 -1.94 -1.16 -1.02 119.30 120.21 3kdm s MET 83 Ca -0.06 -0.79 0.08 0.00 -1.71 0.00 0.00 55.69 53.20 3kdm s MET 83 Cb -0.15 -2.38 -0.04 0.00 2.01 0.00 0.00 34.83 34.26 3kdm s MET 83 CO 0.01 -0.36 0.16 -0.80 -0.01 0.00 0.00 175.02 174.02 3kdm s ASN 84 N 1.39 4.64 -1.55 3.03 0.01 -0.97 -3.65 114.94 117.84 3kdm s ASN 84 Ca 0.01 -0.83 -0.08 0.00 -0.71 0.00 0.00 52.86 51.24 3kdm s ASN 84 Cb -0.15 -0.67 0.07 0.00 0.41 0.00 0.00 41.25 40.91 3kdm s ASN 84 CO -0.09 -0.36 0.56 -1.20 -1.51 0.00 0.00 177.10 174.49 3kdm n SER 85 N -1.18 -1.60 -4.77 -1.22 7.64 -1.24 -4.81 113.62 106.44 3kdm n SER 85 Ca -0.02 -1.03 -0.39 0.00 1.01 0.00 0.00 58.87 58.44 3kdm n SER 85 Cb 0.62 -2.83 0.01 0.00 -1.01 0.00 0.00 64.21 61.00 3kdm n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3kdm s LEU 86 N -7.14 4.13 0.41 -3.43 1.43 -1.26 -4.59 118.68 108.23 3kdm s LEU 86 Ca 0.34 2.78 0.07 0.00 -1.03 0.00 0.00 54.13 56.29 3kdm s LEU 86 Cb -0.18 -3.96 -0.07 0.00 0.03 0.00 0.00 46.19 42.01 3kdm s LEU 86 CO 0.91 -1.07 0.07 -0.13 0.23 0.00 0.00 176.35 176.37 3kdm s ARG 87 N -2.41 2.06 0.17 1.70 0.52 -1.26 -2.45 118.95 117.28 3kdm s ARG 87 Ca 0.60 -1.99 -0.14 0.00 -0.52 0.00 0.00 55.73 53.69 3kdm s ARG 87 Cb -0.41 -1.78 0.12 0.00 0.52 0.00 0.00 34.95 33.40 3kdm s ARG 87 CO 0.52 -0.06 1.76 0.00 0.02 0.00 0.00 175.30 177.54 3kdm h ALA 88 N 1.65 0.55 -1.51 2.13 0.00 -1.96 -1.44 119.26 118.68 3kdm h ALA 88 Ca -0.43 0.05 0.44 0.00 0.00 0.00 0.00 54.91 54.96 3kdm h ALA 88 Cb 1.25 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 3kdm h ALA 88 CO 0.76 -0.21 1.12 0.93 0.00 0.00 0.00 179.25 181.85 3kdm h GLU 89 N 0.36 0.00 0.00 0.00 3.07 -1.96 -1.67 114.58 114.38 3kdm h GLU 89 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 3kdm h GLU 89 Cb 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 3kdm h GLU 89 CO -0.20 0.00 -0.17 -0.25 -1.40 0.00 0.00 179.01 176.99 3kdm n ASP 90 N -4.00 0.22 -4.67 1.42 9.92 -0.54 -4.86 116.55 114.04 3kdm n ASP 90 Ca 0.33 0.27 -0.46 0.00 -0.53 0.00 0.00 54.79 54.41 3kdm n ASP 90 Cb 1.60 -0.27 -0.04 0.00 -0.64 0.00 0.00 41.12 41.76 3kdm n ASP 90 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 3kdm n THR 91 N -1.57 0.08 0.00 -3.53 -1.04 -0.63 -4.91 114.28 102.69 3kdm n THR 91 Ca 0.06 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3kdm n THR 91 Cb 0.35 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.24 3kdm n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kdm n ALA 92 N 3.90 0.00 -2.69 2.41 0.00 -0.50 -4.40 120.51 119.22 3kdm n ALA 92 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.22 3kdm n ALA 92 Cb 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.70 3kdm n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kdm s VAL 93 N -2.00 5.05 -0.22 0.00 1.01 -0.62 -1.57 120.40 122.04 3kdm s VAL 93 Ca 0.00 1.38 -0.06 0.00 0.00 0.00 0.00 61.98 63.30 3kdm s VAL 93 Cb 0.00 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 3kdm s VAL 93 CO 0.00 0.27 0.03 -0.31 0.00 0.00 0.00 175.10 175.09 3kdm s TYR 94 N 0.69 3.06 -0.09 5.22 1.51 -0.26 -0.84 117.35 126.63 3kdm s TYR 94 Ca 0.36 -0.48 -0.00 0.00 -1.01 0.00 0.00 57.07 55.93 3kdm s TYR 94 Cb -0.17 -2.15 -0.03 0.00 -0.11 0.00 0.00 41.96 39.49 3kdm s TYR 94 CO 0.17 -0.31 -0.07 0.71 -1.11 0.00 0.00 175.55 174.94 3kdm s TYR 95 N 1.30 2.95 0.19 2.71 2.02 0.06 -1.57 117.35 125.02 3kdm s TYR 95 Ca 0.04 -0.07 -0.04 0.00 -0.37 0.00 0.00 57.07 56.63 3kdm s TYR 95 Cb -0.15 -1.76 -0.05 0.00 -0.40 0.00 0.00 41.96 39.60 3kdm s TYR 95 CO 0.02 0.24 0.43 0.00 -1.57 0.00 0.00 175.55 174.67 3kdm s ALA 97 N -1.81 -1.70 -0.07 0.00 0.00 0.44 0.86 121.76 119.47 3kdm s ALA 97 Ca 0.42 0.82 0.01 0.00 0.00 0.00 0.00 51.96 53.20 3kdm s ALA 97 Cb -0.11 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 3kdm s ALA 97 CO 0.26 -0.66 -0.08 0.50 0.00 0.00 0.00 175.76 175.78 3kdm s ARG 98 N -3.05 2.76 -0.19 0.00 3.52 -0.71 0.85 118.95 122.12 3kdm s ARG 98 Ca 0.00 -0.57 -0.19 0.00 -0.13 0.00 0.00 55.73 54.84 3kdm s ARG 98 Cb -0.01 -2.58 -0.03 0.00 -1.56 0.00 0.00 34.95 30.78 3kdm s ARG 98 CO -0.08 0.64 0.56 0.34 -0.81 0.00 0.00 175.30 175.95 3kdm s ASP 99 N -0.74 6.63 -0.03 -2.12 -1.08 -0.67 -1.71 116.67 116.95 3kdm s ASP 99 Ca 0.11 0.76 0.04 0.00 -0.52 0.00 0.00 52.55 52.94 3kdm s ASP 99 Cb -0.11 -2.32 0.18 0.00 -1.46 0.00 0.00 42.92 39.21 3kdm s ASP 99 CO 0.01 -0.20 0.95 -0.81 0.52 0.00 0.00 175.17 175.64 3kdm n PRO 100 N 4.79 1.68 -2.52 4.34 -0.04 -1.26 -3.80 135.00 138.20 3kdm n PRO 100 Ca -0.03 -0.69 -0.42 0.00 -0.04 0.00 0.00 63.50 62.31 3kdm n PRO 100 Cb 0.50 -1.43 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 3kdm n PRO 100 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3kdm s GLY 101 N -0.57 2.42 -0.14 0.55 0.00 -1.25 -4.94 107.32 103.40 3kdm s GLY 101 Ca 0.12 0.68 -0.20 0.00 0.00 0.00 0.00 44.72 45.32 3kdm s GLY 101 CO 0.06 2.01 0.52 -2.00 0.00 0.00 0.00 173.10 173.68 3kdm h LEU 102 N 7.31 0.22 -0.19 0.66 5.85 -1.89 -3.40 115.31 123.87 3kdm h LEU 102 Ca -0.38 -0.79 0.00 0.00 0.84 0.00 0.00 57.88 57.54 3kdm h LEU 102 Cb 1.19 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3kdm h LEU 102 CO 0.82 1.47 -0.43 0.79 -0.34 0.00 0.00 178.44 180.75 3kdm n TRP 103 N -4.18 0.00 -1.48 1.25 7.02 -1.26 -4.89 117.44 113.90 3kdm n TRP 103 Ca -0.24 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.24 3kdm n TRP 103 Cb 0.77 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.66 3kdm n TRP 103 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 3kdm n ASP 104 N -1.00 0.00 -4.32 -0.99 5.68 -1.26 -5.18 116.55 109.48 3kdm n ASP 104 Ca 0.03 0.00 -0.27 0.00 -0.50 0.00 0.00 54.79 54.05 3kdm n ASP 104 Cb 0.18 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.03 3kdm n ASP 104 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 3kdm s TYR 105 N -0.55 2.04 -0.36 2.11 1.51 -1.26 -3.91 117.35 116.92 3kdm s TYR 105 Ca 0.00 -0.40 0.23 0.00 -1.01 0.00 0.00 57.07 55.89 3kdm s TYR 105 Cb 0.00 -1.15 0.17 0.00 -0.11 0.00 0.00 41.96 40.87 3kdm s TYR 105 CO 0.00 0.21 1.27 1.88 -1.11 0.00 0.00 175.55 177.79 3kdm h TYR 106 N 4.31 0.00 -6.23 2.71 0.99 -1.92 -3.47 116.97 113.35 3kdm h TYR 106 Ca -0.47 0.00 -0.46 0.00 2.00 0.00 0.00 58.73 59.80 3kdm h TYR 106 Cb 1.17 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.89 3kdm h TYR 106 CO 0.56 0.00 -0.76 0.66 -0.00 0.00 0.00 178.16 178.62 3kdm n TYR 107 N -2.71 -2.30 -3.76 4.88 4.02 -1.26 -5.00 117.16 111.03 3kdm n TYR 107 Ca 0.02 0.91 -0.13 0.00 -0.01 0.00 0.00 57.90 58.68 3kdm n TYR 107 Cb 0.53 -4.14 -0.10 0.00 -0.02 0.00 0.00 39.34 35.61 3kdm n TYR 107 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3kdm s GLY 108 N -3.48 -0.22 -0.23 2.72 0.00 -1.26 -5.15 107.32 99.71 3kdm s GLY 108 Ca 0.55 0.72 -0.06 0.00 0.00 0.00 0.00 44.72 45.94 3kdm s GLY 108 CO 0.82 0.57 0.02 1.06 0.00 0.00 0.00 173.10 175.56 3kdm s MET 109 N -0.36 3.56 -0.16 2.90 -1.94 -1.26 -4.08 119.30 117.96 3kdm s MET 109 Ca -0.05 -0.53 0.18 0.00 -1.71 0.00 0.00 55.69 53.58 3kdm s MET 109 Cb -0.03 -3.16 -0.26 0.00 2.01 0.00 0.00 34.83 33.39 3kdm s MET 109 CO 0.02 -0.13 0.15 -0.40 -0.01 0.00 0.00 175.02 174.65 3kdm n ASP 110 N 4.68 0.21 -4.36 3.03 5.75 -0.70 -4.91 116.55 120.25 3kdm n ASP 110 Ca -0.17 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.28 3kdm n ASP 110 Cb 0.51 1.19 -0.15 0.00 -1.03 0.00 0.00 41.12 41.64 3kdm n ASP 110 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3kdm s VAL 111 N -2.68 2.86 0.01 2.12 1.01 -1.26 -5.02 120.40 117.45 3kdm s VAL 111 Ca -0.09 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.20 3kdm s VAL 111 Cb 0.07 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 3kdm s VAL 111 CO 0.81 0.54 -0.18 0.26 0.00 0.00 0.00 175.10 176.53 3kdm s TRP 112 N 0.12 1.61 1.05 5.22 0.52 -1.26 -1.74 118.94 124.46 3kdm s TRP 112 Ca -0.08 -0.33 -0.12 0.00 0.02 0.00 0.00 56.10 55.59 3kdm s TRP 112 Cb -0.15 -1.00 0.22 0.00 -1.15 0.00 0.00 33.47 31.38 3kdm s TRP 112 CO 0.05 0.02 1.07 0.20 0.02 0.00 0.00 176.95 178.31 3kdm s GLY 113 N -0.75 1.58 0.00 0.98 0.00 0.25 -4.51 107.32 104.88 3kdm s GLY 113 Ca 0.06 -0.04 0.24 0.00 0.00 0.00 0.00 44.72 44.98 3kdm s GLY 113 CO 0.00 0.57 1.77 0.61 0.00 0.00 0.00 173.10 176.05 3kdm n GLN 114 N -4.50 0.16 0.00 2.90 0.00 -1.26 -4.73 117.38 109.95 3kdm n GLN 114 Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 57.00 57.14 3kdm n GLN 114 Cb 0.55 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.29 3kdm n GLN 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kdm n GLY 115 N 0.83 -0.61 3.10 2.61 0.00 -1.26 -5.05 105.19 104.82 3kdm n GLY 115 Ca 0.08 -1.53 -0.12 0.00 0.00 0.00 0.00 46.02 44.45 3kdm n GLY 115 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kdm s THR 116 N -3.10 -0.02 -0.06 2.61 -1.32 -0.61 -4.88 115.64 108.26 3kdm s THR 116 Ca 0.00 0.07 -0.23 0.00 -1.21 0.00 0.00 61.69 60.31 3kdm s THR 116 Cb 0.00 -0.38 -0.04 0.00 -1.51 0.00 0.00 72.50 70.58 3kdm s THR 116 CO 0.00 0.03 0.70 -0.22 -2.21 0.00 0.00 174.62 172.92 3kdm s LEU 117 N 0.67 4.33 -0.23 9.08 2.96 -1.26 -1.11 118.68 133.12 3kdm s LEU 117 Ca -0.04 1.20 -0.02 0.00 -0.22 0.00 0.00 54.13 55.05 3kdm s LEU 117 Cb -0.06 -3.09 0.01 0.00 0.50 0.00 0.00 46.19 43.56 3kdm s LEU 117 CO -0.04 -0.10 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.13 3kdm s VAL 118 N 0.71 2.96 -0.15 1.68 1.01 -0.61 -1.15 120.40 124.84 3kdm s VAL 118 Ca 0.37 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 3kdm s VAL 118 Cb -0.18 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 3kdm s VAL 118 CO 0.18 0.32 -0.04 -0.89 0.00 0.00 0.00 175.10 174.67 3kdm s THR 119 N 1.38 3.85 -0.41 3.92 2.01 -0.43 -1.41 115.64 124.55 3kdm s THR 119 Ca 0.03 -0.37 -0.00 0.00 0.31 0.00 0.00 61.69 61.65 3kdm s THR 119 Cb -0.15 -2.68 0.11 0.00 0.01 0.00 0.00 72.50 69.79 3kdm s THR 119 CO -0.05 0.50 0.18 -0.69 -0.69 0.00 0.00 174.62 173.86 3kdm s VAL 120 N 0.35 2.94 0.06 3.82 1.01 -1.26 -1.15 120.40 126.17 3kdm s VAL 120 Ca -0.05 -2.31 -0.07 0.00 0.00 0.00 0.00 61.98 59.56 3kdm s VAL 120 Cb -0.14 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 3kdm s VAL 120 CO 0.03 -0.68 0.15 -0.55 0.00 0.00 0.00 175.10 174.04 3kdm s SER 121 N 1.30 0.16 0.23 3.32 0.15 -0.96 -4.32 113.70 113.57 3kdm s SER 121 Ca 0.10 -0.62 0.12 0.00 0.70 0.00 0.00 55.95 56.26 3kdm s SER 121 Cb -0.21 0.29 -0.01 0.00 -1.71 0.00 0.00 66.02 64.38 3kdm s SER 121 CO -0.05 -0.64 1.40 0.77 1.20 0.00 0.00 173.24 175.92 3kdm h SER 122 N 3.10 0.00 -4.02 5.45 4.64 -1.96 -3.34 113.55 117.42 3kdm h SER 122 Ca -0.33 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.47 3kdm h SER 122 Cb 1.19 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.36 3kdm h SER 122 CO 0.55 0.68 0.53 0.00 -0.87 0.00 0.00 176.83 177.71 3kdm s ALA 123 N -2.90 2.93 0.67 5.18 0.00 -1.26 -5.01 121.76 121.38 3kdm s ALA 123 Ca 0.03 1.07 -0.11 0.00 0.00 0.00 0.00 51.96 52.95 3kdm s ALA 123 Cb 0.09 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3kdm s ALA 123 CO 0.77 -0.89 1.06 -1.54 0.00 0.00 0.00 175.76 175.16 3kdm s SER 124 N -1.22 5.64 0.53 0.00 1.04 -1.26 -4.99 113.70 113.44 3kdm s SER 124 Ca 0.66 1.16 -0.22 0.00 0.48 0.00 0.00 55.95 58.03 3kdm s SER 124 Cb -0.33 -2.03 -0.06 0.00 0.10 0.00 0.00 66.02 63.70 3kdm s SER 124 CO 0.39 -1.21 1.24 0.35 0.98 0.00 0.00 173.24 174.99 3kdm n THR 125 N -2.91 3.53 -3.68 2.02 -2.24 -1.26 -4.72 114.28 105.03 3kdm n THR 125 Ca 0.06 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 61.25 3kdm n THR 125 Cb 0.56 -1.50 -0.10 0.00 -2.10 0.00 0.00 70.33 67.19 3kdm n THR 125 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3kdm s LYS 126 N -2.70 0.40 0.50 -0.78 2.47 -0.60 -4.93 119.74 114.11 3kdm s LYS 126 Ca 0.70 0.92 -0.14 0.00 -1.56 0.00 0.00 55.97 55.89 3kdm s LYS 126 Cb -0.44 0.12 -0.07 0.00 -1.46 0.00 0.00 37.83 35.97 3kdm s LYS 126 CO 0.50 -0.19 0.94 0.20 0.16 0.00 0.00 175.35 176.97 3kdm s GLY 127 N 1.82 1.98 0.48 5.54 0.00 -1.26 -1.28 107.32 114.60 3kdm s GLY 127 Ca -0.07 0.05 -0.17 0.00 0.00 0.00 0.00 44.72 44.53 3kdm s GLY 127 CO -0.14 0.31 0.95 2.56 0.00 0.00 0.00 173.10 176.78 3kdm s PRO 128 N -4.16 3.99 0.13 2.90 0.04 -1.26 -4.51 135.00 132.14 3kdm s PRO 128 Ca 0.57 0.93 -0.21 0.00 0.04 0.00 0.00 61.00 62.33 3kdm s PRO 128 Cb -0.10 -2.18 -0.07 0.00 0.04 0.00 0.00 34.50 32.19 3kdm s PRO 128 CO 0.34 -0.18 0.65 -1.12 0.04 0.00 0.00 177.00 176.73 3kdm s SER 129 N -2.87 7.13 -0.14 6.66 0.01 0.46 -4.87 113.70 120.07 3kdm s SER 129 Ca 0.59 1.38 0.01 0.00 1.31 0.00 0.00 55.95 59.23 3kdm s SER 129 Cb -0.10 -2.40 0.02 0.00 0.21 0.00 0.00 66.02 63.75 3kdm s SER 129 CO 0.27 0.20 -0.16 -0.69 0.41 0.00 0.00 173.24 173.27 3kdm s VAL 130 N -1.23 1.67 0.04 3.43 1.01 -1.26 -0.03 120.40 124.04 3kdm s VAL 130 Ca 0.34 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.68 3kdm s VAL 130 Cb -0.20 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 3kdm s VAL 130 CO 0.21 0.47 -0.21 -0.36 0.00 0.00 0.00 175.10 175.22 3kdm s PHE 131 N 1.29 1.81 0.36 5.22 0.08 -0.02 -4.96 117.98 121.76 3kdm s PHE 131 Ca 0.01 -0.37 -0.25 0.00 0.12 0.00 0.00 56.93 56.44 3kdm s PHE 131 Cb -0.14 -1.08 -0.09 0.00 -0.57 0.00 0.00 43.02 41.14 3kdm s PHE 131 CO -0.08 0.08 1.01 -1.25 -0.10 0.00 0.00 175.22 174.88 3kdm s PRO 132 N -1.15 4.39 -0.42 0.24 0.04 -1.26 -0.26 135.00 136.58 3kdm s PRO 132 Ca 0.07 1.46 -0.10 0.00 0.04 0.00 0.00 61.00 62.47 3kdm s PRO 132 Cb -0.09 -2.71 0.07 0.00 0.04 0.00 0.00 34.50 31.82 3kdm s PRO 132 CO 0.02 0.07 0.27 -0.51 0.04 0.00 0.00 177.00 176.89 3kdm s LEU 133 N -2.29 5.17 -0.14 -3.56 1.43 0.12 -4.79 118.68 114.62 3kdm s LEU 133 Ca 0.53 -1.45 -0.17 0.00 -1.03 0.00 0.00 54.13 52.01 3kdm s LEU 133 Cb -0.21 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 3kdm s LEU 133 CO 0.27 -0.54 0.43 0.00 0.23 0.00 0.00 176.35 176.74 3kdm s ALA 134 N 1.46 3.51 0.73 4.21 0.00 -1.26 -1.66 121.76 128.75 3kdm s ALA 134 Ca 0.03 -0.29 -0.12 0.00 0.00 0.00 0.00 51.96 51.58 3kdm s ALA 134 Cb -0.23 -2.60 0.03 0.00 0.00 0.00 0.00 23.12 20.32 3kdm s ALA 134 CO 0.03 -0.04 1.09 -1.25 0.00 0.00 0.00 175.76 175.59 3kdm s PRO 135 N 0.73 2.49 0.00 0.00 0.04 -1.24 -4.90 135.00 132.12 3kdm s PRO 135 Ca 0.23 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.48 3kdm s PRO 135 Cb -0.15 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3kdm s PRO 135 CO 0.09 -1.47 0.00 0.45 0.04 0.00 0.00 177.00 176.10 3kdm n SER 136 N -3.15 0.00 0.00 6.66 2.88 -1.22 -4.52 113.62 114.28 3kdm n SER 136 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 3kdm n SER 136 Cb 0.53 0.05 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 3kdm n SER 136 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3kdm n SER 137 N -1.13 0.00 -0.51 -3.46 7.64 -1.26 -4.51 113.62 110.39 3kdm n SER 137 Ca 0.00 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.99 3kdm n SER 137 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 3kdm n SER 137 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 3kdm n LYS 138 N 0.00 1.24 -2.76 1.43 -0.00 -1.26 -3.84 118.16 112.97 3kdm n LYS 138 Ca 0.00 -1.02 -0.22 0.00 -0.00 0.00 0.00 58.31 57.08 3kdm n LYS 138 Cb 0.00 -1.48 -0.01 0.00 -0.00 0.00 0.00 35.03 33.54 3kdm n LYS 138 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3kdm n SER 139 N 0.01 3.31 -3.03 -5.58 2.88 -1.26 -4.95 113.62 105.00 3kdm n SER 139 Ca 0.10 -3.38 0.04 0.00 -1.33 0.00 0.00 58.87 54.30 3kdm n SER 139 Cb 0.47 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 3kdm n SER 139 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3kdm s THR 140 N -4.22 -0.29 0.00 2.46 2.01 -1.25 -2.27 115.64 112.08 3kdm s THR 140 Ca 0.42 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.39 3kdm s THR 140 Cb 0.37 -0.19 -0.15 0.00 0.01 0.00 0.00 72.50 72.54 3kdm s THR 140 CO -0.11 0.00 2.46 -1.54 -0.69 0.00 0.00 174.62 174.74 3kdm n SER 141 N 4.66 3.83 0.00 3.53 3.41 -0.87 -4.69 113.62 123.48 3kdm n SER 141 Ca 0.08 -2.17 0.00 0.00 -0.26 0.00 0.00 58.87 56.52 3kdm n SER 141 Cb 0.59 -0.98 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 3kdm n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kdm n GLY 142 N 2.40 2.28 0.90 5.00 0.00 -1.26 -4.59 105.19 109.92 3kdm n GLY 142 Ca 0.24 -0.72 0.01 0.00 0.00 0.00 0.00 46.02 45.54 3kdm n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kdm n GLY 143 N 0.00 0.74 3.18 -0.02 0.00 -1.26 -5.00 105.19 102.83 3kdm n GLY 143 Ca 0.00 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 3kdm n GLY 143 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kdm s THR 144 N 0.00 1.95 0.10 2.61 2.01 -1.26 -1.52 115.64 119.53 3kdm s THR 144 Ca 0.12 -0.94 0.06 0.00 0.31 0.00 0.00 61.69 61.24 3kdm s THR 144 Cb 0.14 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 3kdm s THR 144 CO -0.06 0.53 -0.06 0.00 -0.69 0.00 0.00 174.62 174.35 3kdm s ALA 145 N 0.52 3.10 0.03 7.40 0.00 -0.72 -2.06 121.76 130.03 3kdm s ALA 145 Ca -0.15 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 50.65 3kdm s ALA 145 Cb -0.17 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 3kdm s ALA 145 CO 0.05 0.66 -0.04 0.00 0.00 0.00 0.00 175.76 176.44 3kdm s ALA 146 N -1.27 3.13 0.20 0.00 0.00 -0.96 -1.66 121.76 121.20 3kdm s ALA 146 Ca 0.23 -1.04 -0.10 0.00 0.00 0.00 0.00 51.96 51.05 3kdm s ALA 146 Cb -0.11 -1.18 -0.01 0.00 0.00 0.00 0.00 23.12 21.82 3kdm s ALA 146 CO 0.16 0.64 0.36 -0.48 0.00 0.00 0.00 175.76 176.44 3kdm s LEU 147 N -1.67 0.67 0.00 0.00 0.05 -0.37 -3.66 118.68 113.70 3kdm s LEU 147 Ca 0.20 -0.92 -0.09 0.00 0.05 0.00 0.00 54.13 53.36 3kdm s LEU 147 Cb -0.11 1.39 0.03 0.00 -2.05 0.00 0.00 46.19 45.45 3kdm s LEU 147 CO 0.11 -0.99 0.42 0.61 -0.55 0.00 0.00 176.35 175.95 3kdm n GLY 148 N -0.29 0.57 2.99 -3.48 0.00 -0.66 -0.30 105.19 104.01 3kdm n GLY 148 Ca -0.04 -0.92 -0.17 0.00 0.00 0.00 0.00 46.02 44.88 3kdm n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdm s LEU 150 N -0.17 4.18 -0.41 0.00 2.96 0.65 -1.26 118.68 124.63 3kdm s LEU 150 Ca 0.03 0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 54.37 3kdm s LEU 150 Cb -0.03 -2.39 0.11 0.00 0.50 0.00 0.00 46.19 44.38 3kdm s LEU 150 CO -0.00 0.01 0.19 -0.69 -1.32 0.00 0.00 176.35 174.54 3kdm s VAL 151 N 0.94 3.09 -0.05 1.68 1.01 0.18 -0.84 120.40 126.40 3kdm s VAL 151 Ca 0.16 -2.22 0.01 0.00 0.00 0.00 0.00 61.98 59.94 3kdm s VAL 151 Cb -0.14 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 3kdm s VAL 151 CO 0.06 -0.69 -0.06 -0.75 0.00 0.00 0.00 175.10 173.65 3kdm s LYS 152 N 0.97 2.71 -0.75 2.72 2.20 0.96 -1.16 119.74 127.39 3kdm s LYS 152 Ca 0.10 -0.58 -0.01 0.00 -0.36 0.00 0.00 55.97 55.11 3kdm s LYS 152 Cb -0.22 -2.58 -0.02 0.00 -1.51 0.00 0.00 37.83 33.51 3kdm s LYS 152 CO -0.05 0.65 0.69 -0.25 -0.36 0.00 0.00 175.35 176.04 3kdm n ASP 153 N 2.05 -7.07 -4.27 1.43 8.00 -0.44 -0.40 116.55 115.84 3kdm n ASP 153 Ca -0.17 -0.21 -0.15 0.00 0.71 0.00 0.00 54.79 54.97 3kdm n ASP 153 Cb 0.53 -4.93 -0.10 0.00 -0.02 0.00 0.00 41.12 36.60 3kdm n ASP 153 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3kdm s TYR 154 N -3.09 1.34 -0.10 1.24 -0.85 -0.84 -4.05 117.35 111.00 3kdm s TYR 154 Ca 0.10 -1.00 -0.30 0.00 -0.52 0.00 0.00 57.07 55.36 3kdm s TYR 154 Cb -0.01 -0.77 0.08 0.00 0.38 0.00 0.00 41.96 41.64 3kdm s TYR 154 CO 0.69 -0.17 0.74 0.12 -1.52 0.00 0.00 175.55 175.41 3kdm s PHE 155 N -3.59 -0.63 0.29 -3.49 2.19 -0.40 -0.93 117.98 111.43 3kdm s PHE 155 Ca 0.26 1.16 -0.05 0.00 0.33 0.00 0.00 56.93 58.64 3kdm s PHE 155 Cb 0.06 0.40 0.07 0.00 -1.31 0.00 0.00 43.02 42.23 3kdm s PHE 155 CO 0.06 -0.53 0.40 -0.35 1.83 0.00 0.00 175.22 176.64 3kdm n PRO 156 N 1.16 -0.36 -0.98 10.12 -0.04 -1.26 -1.55 135.00 142.09 3kdm n PRO 156 Ca -0.17 -0.64 -0.30 0.00 -0.04 0.00 0.00 63.50 62.36 3kdm n PRO 156 Cb 0.57 -0.41 0.16 0.00 -0.04 0.00 0.00 33.50 33.78 3kdm n PRO 156 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3kdm s GLU 157 N -3.85 1.00 0.52 0.54 0.41 -1.26 -4.79 118.70 111.27 3kdm s GLU 157 Ca 0.23 1.05 0.07 0.00 -0.41 0.00 0.00 54.97 55.90 3kdm s GLU 157 Cb -0.01 -1.76 0.03 0.00 -1.78 0.00 0.00 34.13 30.62 3kdm s GLU 157 CO 0.16 -2.49 0.45 -1.25 -0.49 0.00 0.00 175.26 171.64 3kdm s PRO 158 N -4.78 2.31 0.29 0.39 0.04 -1.26 -4.95 135.00 127.03 3kdm s PRO 158 Ca 0.65 -1.88 0.10 0.00 0.04 0.00 0.00 61.00 59.91 3kdm s PRO 158 Cb -0.20 -2.22 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 3kdm s PRO 158 CO 0.58 -0.57 -0.14 0.14 0.04 0.00 0.00 177.00 177.05 3kdm s VAL 159 N -2.70 2.19 0.14 -0.36 -7.23 -1.26 -4.48 120.40 106.70 3kdm s VAL 159 Ca 0.41 -2.28 0.11 0.00 -1.81 0.00 0.00 61.98 58.40 3kdm s VAL 159 Cb -0.03 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 3kdm s VAL 159 CO 0.25 -0.36 -0.26 0.42 -0.31 0.00 0.00 175.10 174.85 3kdm s THR 160 N -2.67 2.20 -0.07 5.32 -4.23 -0.27 -4.97 115.64 110.94 3kdm s THR 160 Ca 0.30 -1.77 -0.01 0.00 -1.18 0.00 0.00 61.69 59.02 3kdm s THR 160 Cb -0.01 -1.96 0.03 0.00 1.34 0.00 0.00 72.50 71.90 3kdm s THR 160 CO 0.14 0.04 0.00 -0.69 -0.54 0.00 0.00 174.62 173.57 3kdm s VAL 161 N -1.16 0.35 0.32 2.29 1.01 -1.25 -1.41 120.40 120.54 3kdm s VAL 161 Ca 0.14 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.32 3kdm s VAL 161 Cb -0.10 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 3kdm s VAL 161 CO 0.06 0.25 0.16 -0.94 0.00 0.00 0.00 175.10 174.63 3kdm s SER 162 N 1.85 4.88 -0.09 3.32 1.04 -0.48 -4.94 113.70 119.29 3kdm s SER 162 Ca 0.03 -0.64 0.04 0.00 0.48 0.00 0.00 55.95 55.86 3kdm s SER 162 Cb -0.12 -0.87 -0.00 0.00 0.10 0.00 0.00 66.02 65.13 3kdm s SER 162 CO -0.05 -0.24 -0.23 0.26 0.98 0.00 0.00 173.24 173.96 3kdm s TRP 163 N -2.36 2.47 -1.13 5.02 0.52 -1.26 -0.95 118.94 121.25 3kdm s TRP 163 Ca 0.37 -0.97 -0.14 0.00 0.02 0.00 0.00 56.10 55.38 3kdm s TRP 163 Cb -0.04 -1.65 -0.03 0.00 -1.15 0.00 0.00 33.47 30.60 3kdm s TRP 163 CO 0.23 -0.38 0.82 0.09 0.02 0.00 0.00 176.95 177.73 3kdm n ASN 164 N 3.46 -5.27 -1.85 2.95 3.02 -0.13 -1.54 115.26 115.91 3kdm n ASN 164 Ca -0.19 -0.90 -0.03 0.00 -0.03 0.00 0.00 54.58 53.43 3kdm n ASN 164 Cb 0.53 -4.05 -0.01 0.00 -0.61 0.00 0.00 39.78 35.64 3kdm n ASN 164 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3kdm n SER 165 N -2.90 -1.27 0.00 6.41 7.64 -1.26 0.22 113.62 122.46 3kdm n SER 165 Ca -0.11 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.04 3kdm n SER 165 Cb 0.61 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 3kdm n SER 165 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kdm n GLY 166 N -0.34 2.27 0.13 0.23 0.00 -0.59 -4.95 105.19 101.95 3kdm n GLY 166 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.06 3kdm n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdm n ALA 167 N -0.52 0.81 -3.84 4.61 0.00 0.61 -4.31 120.51 117.86 3kdm n ALA 167 Ca 0.00 0.12 -0.28 0.00 0.00 0.00 0.00 53.44 53.28 3kdm n ALA 167 Cb 0.00 -0.98 -0.16 0.00 0.00 0.00 0.00 19.45 18.31 3kdm n ALA 167 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3kdm s LEU 168 N -3.97 1.63 0.00 0.00 2.96 -0.88 -4.92 118.68 113.50 3kdm s LEU 168 Ca -0.01 -0.80 0.00 0.00 -0.22 0.00 0.00 54.13 53.10 3kdm s LEU 168 Cb 0.04 -0.84 0.00 0.00 0.50 0.00 0.00 46.19 45.89 3kdm s LEU 168 CO 0.12 -0.24 0.00 0.35 -1.32 0.00 0.00 176.35 175.27 3kdm n THR 169 N 4.90 0.00 -2.58 3.68 -2.24 -1.26 -4.06 114.28 112.72 3kdm n THR 169 Ca -0.11 -0.13 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 3kdm n THR 169 Cb 0.47 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 69.39 3kdm n THR 169 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3kdm s SER 170 N -0.56 7.20 -0.40 3.42 0.15 -1.26 -3.78 113.70 118.48 3kdm s SER 170 Ca 0.00 1.74 0.00 0.00 0.70 0.00 0.00 55.95 58.39 3kdm s SER 170 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 3kdm s SER 170 CO 0.00 -0.43 0.00 -1.20 1.20 0.00 0.00 173.24 172.81 3kdm n SER 171 N 4.49 -4.01 -4.74 5.45 7.64 -1.26 -4.73 113.62 116.46 3kdm n SER 171 Ca 0.08 0.09 -0.40 0.00 1.01 0.00 0.00 58.87 59.65 3kdm n SER 171 Cb 0.48 -1.84 -0.05 0.00 -1.01 0.00 0.00 64.21 61.80 3kdm n SER 171 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kdm s VAL 172 N -1.95 4.47 -0.23 0.44 1.01 -1.25 -3.48 120.40 119.41 3kdm s VAL 172 Ca 0.00 1.92 0.01 0.00 0.00 0.00 0.00 61.98 63.91 3kdm s VAL 172 Cb 0.00 -4.25 0.06 0.00 0.00 0.00 0.00 36.38 32.19 3kdm s VAL 172 CO 0.00 0.38 -0.06 -1.00 0.00 0.00 0.00 175.10 174.43 3kdm s HIS 173 N -0.35 2.43 -0.31 5.22 3.76 0.03 -5.00 115.29 121.07 3kdm s HIS 173 Ca 0.42 -1.76 -0.10 0.00 -0.15 0.00 0.00 55.06 53.47 3kdm s HIS 173 Cb -0.23 -1.59 -0.02 0.00 1.11 0.00 0.00 32.58 31.85 3kdm s HIS 173 CO 0.28 -0.78 0.17 0.99 -0.85 0.00 0.00 174.74 174.55 3kdm s THR 174 N 1.39 4.79 0.48 1.30 2.01 -1.26 -1.00 115.64 123.34 3kdm s THR 174 Ca -0.06 -0.28 -0.17 0.00 0.31 0.00 0.00 61.69 61.50 3kdm s THR 174 Cb -0.19 -3.41 -0.08 0.00 0.01 0.00 0.00 72.50 68.83 3kdm s THR 174 CO -0.06 0.11 0.94 -0.36 -0.69 0.00 0.00 174.62 174.56 3kdm s PHE 175 N 1.65 3.42 0.38 4.92 0.40 -0.50 -4.99 117.98 123.27 3kdm s PHE 175 Ca 0.05 1.44 -0.28 0.00 -0.60 0.00 0.00 56.93 57.55 3kdm s PHE 175 Cb -0.17 -2.76 -0.11 0.00 0.51 0.00 0.00 43.02 40.50 3kdm s PHE 175 CO 0.07 -0.26 1.50 -2.14 0.70 0.00 0.00 175.22 175.09 3kdm s PRO 176 N -3.80 4.07 0.46 0.24 0.02 -1.26 -4.69 135.00 130.04 3kdm s PRO 176 Ca 0.59 2.59 -0.25 0.00 0.02 0.00 0.00 61.00 63.95 3kdm s PRO 176 Cb -0.10 -2.94 -0.08 0.00 0.02 0.00 0.00 34.50 31.40 3kdm s PRO 176 CO 0.27 -0.58 1.32 0.00 -0.33 0.00 0.00 177.00 177.68 3kdm n ALA 177 N 0.39 1.52 -3.22 -1.55 0.00 -1.26 -4.85 120.51 111.55 3kdm n ALA 177 Ca 0.01 0.23 -0.29 0.00 0.00 0.00 0.00 53.44 53.39 3kdm n ALA 177 Cb 0.39 -2.31 -0.17 0.00 0.00 0.00 0.00 19.45 17.36 3kdm n ALA 177 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kdm s VAL 178 N -1.22 1.70 0.14 0.00 1.01 -0.76 -4.94 120.40 116.32 3kdm s VAL 178 Ca 0.63 -0.82 -0.31 0.00 0.00 0.00 0.00 61.98 61.48 3kdm s VAL 178 Cb -0.47 -1.48 -0.09 0.00 0.00 0.00 0.00 36.38 34.34 3kdm s VAL 178 CO 0.56 0.48 1.47 -0.22 0.00 0.00 0.00 175.10 177.39 3kdm s LEU 179 N 0.36 4.37 0.50 3.92 2.96 -1.26 -2.15 118.68 127.38 3kdm s LEU 179 Ca -0.15 2.45 -0.04 0.00 -0.22 0.00 0.00 54.13 56.18 3kdm s LEU 179 Cb -0.16 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.93 3kdm s LEU 179 CO 0.06 -0.73 0.78 -1.10 -1.32 0.00 0.00 176.35 174.04 3kdm s GLN 180 N 1.13 3.20 0.56 1.98 -0.21 0.50 -4.92 119.66 121.90 3kdm s GLN 180 Ca 0.67 -0.09 0.30 0.00 0.02 0.00 0.00 55.36 56.26 3kdm s GLN 180 Cb -0.40 -2.41 1.46 0.00 1.00 0.00 0.00 33.01 32.66 3kdm s GLN 180 CO 0.31 -0.36 1.87 0.66 -2.12 0.00 0.00 175.29 175.64 3kdm h SER 181 N 0.18 0.00 0.70 5.90 4.64 -1.96 0.37 113.55 123.38 3kdm h SER 181 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3kdm h SER 181 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3kdm h SER 181 CO 0.60 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.33 3kdm h SER 182 N 0.00 0.00 0.00 4.97 4.64 -2.02 -3.45 113.55 117.69 3kdm h SER 182 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3kdm h SER 182 Cb 1.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 3kdm h SER 182 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3kdm n GLY 183 N -0.16 0.74 3.70 -0.77 0.00 0.13 -5.06 105.19 103.77 3kdm n GLY 183 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3kdm n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kdm s LEU 184 N 0.00 3.77 0.61 0.99 1.43 -1.25 -4.84 118.68 119.39 3kdm s LEU 184 Ca 0.00 0.19 -0.13 0.00 -1.03 0.00 0.00 54.13 53.15 3kdm s LEU 184 Cb 0.00 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 3kdm s LEU 184 CO 0.00 0.34 1.03 -0.31 0.23 0.00 0.00 176.35 177.64 3kdm s TYR 185 N -0.63 3.32 -0.11 0.29 2.02 -0.10 -0.37 117.35 121.77 3kdm s TYR 185 Ca 0.11 1.42 -0.19 0.00 -0.37 0.00 0.00 57.07 58.03 3kdm s TYR 185 Cb -0.12 -2.84 0.05 0.00 -0.40 0.00 0.00 41.96 38.65 3kdm s TYR 185 CO 0.02 -0.84 0.48 0.45 -1.57 0.00 0.00 175.55 174.10 3kdm s SER 186 N -3.50 -0.45 0.15 2.29 0.15 -0.91 -1.33 113.70 110.09 3kdm s SER 186 Ca 0.59 0.67 -0.17 0.00 0.70 0.00 0.00 55.95 57.73 3kdm s SER 186 Cb -0.13 0.71 0.04 0.00 -1.71 0.00 0.00 66.02 64.93 3kdm s SER 186 CO 0.45 -0.35 0.46 -1.48 1.20 0.00 0.00 173.24 173.52 3kdm s LEU 187 N -0.52 0.19 0.14 3.45 0.05 -0.31 -1.82 118.68 119.86 3kdm s LEU 187 Ca -0.06 -0.32 0.09 0.00 0.05 0.00 0.00 54.13 53.89 3kdm s LEU 187 Cb -0.03 2.01 -0.04 0.00 -2.05 0.00 0.00 46.19 46.08 3kdm s LEU 187 CO 0.04 -0.92 -0.16 -0.44 -0.55 0.00 0.00 176.35 174.32 3kdm s SER 188 N -2.81 3.98 -0.08 1.48 0.01 -1.26 0.48 113.70 115.50 3kdm s SER 188 Ca 0.04 -0.58 0.05 0.00 1.31 0.00 0.00 55.95 56.77 3kdm s SER 188 Cb 0.01 -0.58 -0.00 0.00 0.21 0.00 0.00 66.02 65.65 3kdm s SER 188 CO -0.10 0.15 -0.23 -0.55 0.41 0.00 0.00 173.24 172.92 3kdm s SER 189 N -2.37 2.95 0.13 2.44 0.15 -0.39 -1.41 113.70 115.20 3kdm s SER 189 Ca 0.20 -0.52 0.06 0.00 0.70 0.00 0.00 55.95 56.39 3kdm s SER 189 Cb -0.10 -1.12 -0.04 0.00 -1.71 0.00 0.00 66.02 63.05 3kdm s SER 189 CO 0.12 0.18 -0.13 0.68 1.20 0.00 0.00 173.24 175.29 3kdm s VAL 190 N 0.16 1.33 0.01 4.45 -7.23 -0.17 -0.87 120.40 118.09 3kdm s VAL 190 Ca -0.12 -1.82 -0.03 0.00 -1.81 0.00 0.00 61.98 58.20 3kdm s VAL 190 Cb -0.16 -1.63 -0.01 0.00 0.56 0.00 0.00 36.38 35.15 3kdm s VAL 190 CO 0.06 -0.49 0.04 0.54 -0.31 0.00 0.00 175.10 174.95 3kdm s VAL 191 N -2.41 0.09 -0.03 1.32 0.11 0.58 -0.79 120.40 119.27 3kdm s VAL 191 Ca 0.11 -0.72 0.05 0.00 -2.93 0.00 0.00 61.98 58.50 3kdm s VAL 191 Cb -0.03 -0.30 -0.03 0.00 -1.53 0.00 0.00 36.38 34.49 3kdm s VAL 191 CO 0.03 -0.39 -0.17 0.42 -3.33 0.00 0.00 175.10 171.66 3kdm s THR 192 N -1.25 2.85 0.16 5.04 -4.23 -1.23 -1.23 115.64 115.75 3kdm s THR 192 Ca -0.14 -0.87 -0.05 0.00 -1.18 0.00 0.00 61.69 59.45 3kdm s THR 192 Cb -0.08 -2.11 -0.03 0.00 1.34 0.00 0.00 72.50 71.62 3kdm s THR 192 CO 0.00 0.54 0.18 0.68 -0.54 0.00 0.00 174.62 175.48 3kdm s VAL 193 N -0.75 0.07 0.29 2.29 -7.23 -0.67 -4.83 120.40 109.56 3kdm s VAL 193 Ca 0.12 -1.68 -0.30 0.00 -1.81 0.00 0.00 61.98 58.31 3kdm s VAL 193 Cb -0.10 -2.03 -0.11 0.00 0.56 0.00 0.00 36.38 34.70 3kdm s VAL 193 CO 0.01 -0.31 1.49 -2.84 -0.31 0.00 0.00 175.10 173.15 3kdm s PRO 194 N -4.03 4.20 0.31 4.82 0.02 -1.26 -1.76 135.00 137.30 3kdm s PRO 194 Ca 0.23 2.43 0.05 0.00 0.02 0.00 0.00 61.00 63.73 3kdm s PRO 194 Cb 0.05 -3.06 0.67 0.00 0.02 0.00 0.00 34.50 32.18 3kdm s PRO 194 CO 0.03 -0.50 1.84 1.03 -0.33 0.00 0.00 177.00 179.07 3kdm h SER 195 N 4.62 0.82 0.06 2.53 0.87 -1.58 0.90 113.55 121.77 3kdm h SER 195 Ca -0.47 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.13 3kdm h SER 195 Cb 1.22 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 63.07 3kdm h SER 195 CO 0.76 0.41 -0.05 0.77 -0.53 0.00 0.00 176.83 178.20 3kdm h SER 196 N 0.86 0.00 0.35 6.23 4.64 -1.89 -2.28 113.55 121.47 3kdm h SER 196 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 3kdm h SER 196 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3kdm h SER 196 CO -0.26 0.05 0.00 -1.20 -0.87 0.00 0.00 176.83 174.55 3kdm n SER 197 N -4.27 0.64 0.22 4.97 7.64 0.31 -2.03 113.62 121.10 3kdm n SER 197 Ca -0.03 0.73 0.07 0.00 1.01 0.00 0.00 58.87 60.65 3kdm n SER 197 Cb 0.13 -0.84 0.57 0.00 -1.01 0.00 0.00 64.21 63.07 3kdm n SER 197 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3kdm h LEU 198 N 0.00 0.06 0.00 -3.43 3.38 -1.52 0.23 115.31 114.03 3kdm h LEU 198 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kdm h LEU 198 Cb 0.17 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3kdm h LEU 198 CO 0.00 0.09 -0.36 0.61 0.09 0.00 0.00 178.44 178.87 3kdm n GLY 199 N -1.38 -1.46 0.00 0.83 0.00 -0.86 -4.49 105.19 97.83 3kdm n GLY 199 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3kdm n GLY 199 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kdm n THR 200 N -1.91 0.00 -4.33 2.61 -2.24 -0.34 -5.01 114.28 103.07 3kdm n THR 200 Ca 0.05 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.52 3kdm n THR 200 Cb 0.40 0.15 -0.16 0.00 -2.10 0.00 0.00 70.33 68.61 3kdm n THR 200 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3kdm s GLN 201 N -1.61 2.65 0.34 -0.78 2.00 0.67 -5.10 119.66 117.84 3kdm s GLN 201 Ca 0.00 -0.71 -0.26 0.00 -2.00 0.00 0.00 55.36 52.40 3kdm s GLN 201 Cb 0.00 -2.26 -0.10 0.00 0.80 0.00 0.00 33.01 31.45 3kdm s GLN 201 CO 0.00 -0.13 0.96 0.99 -0.50 0.00 0.00 175.29 176.61 3kdm s THR 202 N 1.14 4.14 -0.15 -0.34 2.01 -1.26 -4.62 115.64 116.57 3kdm s THR 202 Ca -0.01 1.73 0.01 0.00 0.31 0.00 0.00 61.69 63.73 3kdm s THR 202 Cb -0.14 -3.94 0.02 0.00 0.01 0.00 0.00 72.50 68.45 3kdm s THR 202 CO -0.07 0.10 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.47 3kdm s TYR 203 N -1.65 2.39 -0.05 4.92 2.02 -1.26 -4.97 117.35 118.75 3kdm s TYR 203 Ca 0.52 -1.29 0.04 0.00 -0.37 0.00 0.00 57.07 55.97 3kdm s TYR 203 Cb -0.19 -1.69 -0.00 0.00 -0.40 0.00 0.00 41.96 39.68 3kdm s TYR 203 CO 0.24 -0.65 -0.16 0.42 -1.57 0.00 0.00 175.55 173.83 3kdm s ILE 204 N 1.18 1.34 -0.09 2.71 -1.09 -1.26 -0.55 121.20 123.44 3kdm s ILE 204 Ca -0.00 -0.66 -0.06 0.00 -2.23 0.00 0.00 60.65 57.70 3kdm s ILE 204 Cb -0.14 -1.16 -0.04 0.00 -1.58 0.00 0.00 42.46 39.54 3kdm s ILE 204 CO -0.07 0.39 0.14 0.00 -1.23 0.00 0.00 174.94 174.17 3kdm s ASN 206 N -1.23 4.98 -0.18 0.00 -0.87 -0.13 -1.82 114.94 115.70 3kdm s ASN 206 Ca 0.18 -1.36 -0.08 0.00 -1.57 0.00 0.00 52.86 50.03 3kdm s ASN 206 Cb -0.12 -1.74 -0.04 0.00 -0.02 0.00 0.00 41.25 39.32 3kdm s ASN 206 CO 0.07 -0.30 0.08 -0.69 -2.57 0.00 0.00 177.10 173.69 3kdm s VAL 207 N 1.25 4.96 -0.14 1.60 1.01 0.28 -1.38 120.40 127.98 3kdm s VAL 207 Ca -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.97 3kdm s VAL 207 Cb -0.20 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 32.98 3kdm s VAL 207 CO -0.01 0.48 -0.09 0.21 0.00 0.00 0.00 175.10 175.68 3kdm s ASN 208 N 0.17 2.51 -0.55 3.32 2.47 -0.50 -1.16 114.94 121.21 3kdm s ASN 208 Ca 0.06 -0.45 0.01 0.00 0.42 0.00 0.00 52.86 52.89 3kdm s ASN 208 Cb -0.12 -0.98 0.14 0.00 -1.45 0.00 0.00 41.25 38.85 3kdm s ASN 208 CO 0.00 -0.11 0.32 -2.28 -3.72 0.00 0.00 177.10 171.31 3kdm s HIS 209 N 1.61 3.35 0.23 0.43 5.65 0.75 -1.12 115.29 126.20 3kdm s HIS 209 Ca 0.04 -2.92 -0.07 0.00 0.25 0.00 0.00 55.06 52.36 3kdm s HIS 209 Cb -0.13 -3.02 0.22 0.00 -1.18 0.00 0.00 32.58 28.47 3kdm s HIS 209 CO -0.09 -0.81 1.88 0.87 -0.65 0.00 0.00 174.74 175.94 3kdm h LYS 210 N 6.90 1.25 0.00 2.88 1.57 -1.79 -1.92 116.57 125.46 3kdm h LYS 210 Ca -0.05 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3kdm h LYS 210 Cb 0.94 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3kdm h LYS 210 CO 0.69 0.87 0.03 -2.30 -0.57 0.00 0.00 179.45 178.17 3kdm n PRO 211 N -4.38 0.04 0.00 3.15 -0.02 -1.26 -0.87 135.00 131.66 3kdm n PRO 211 Ca 0.10 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3kdm n PRO 211 Cb 0.06 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3kdm n PRO 211 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3kdm n SER 212 N -1.71 1.27 -1.98 2.55 3.41 -0.93 -4.89 113.62 111.35 3kdm n SER 212 Ca -0.00 -1.61 -0.20 0.00 -0.26 0.00 0.00 58.87 56.80 3kdm n SER 212 Cb 0.03 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.94 3kdm n SER 212 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kdm n ASN 213 N -0.30 -5.61 -4.67 4.04 3.02 -0.05 -4.85 115.26 106.84 3kdm n ASN 213 Ca 0.00 0.20 -0.38 0.00 -0.03 0.00 0.00 54.58 54.37 3kdm n ASN 213 Cb 0.31 -4.73 -0.08 0.00 -0.61 0.00 0.00 39.78 34.67 3kdm n ASN 213 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kdm s THR 214 N -2.90 5.23 -0.12 3.41 2.01 -0.77 -4.99 115.64 117.52 3kdm s THR 214 Ca 0.00 0.61 -0.03 0.00 0.31 0.00 0.00 61.69 62.58 3kdm s THR 214 Cb 0.00 -3.69 0.05 0.00 0.01 0.00 0.00 72.50 68.87 3kdm s THR 214 CO 0.00 0.27 0.06 -0.75 -0.69 0.00 0.00 174.62 173.51 3kdm s LYS 215 N 1.28 0.18 0.03 4.92 2.20 -1.26 -0.17 119.74 126.92 3kdm s LYS 215 Ca 0.17 0.04 0.04 0.00 -0.36 0.00 0.00 55.97 55.87 3kdm s LYS 215 Cb -0.15 -1.33 -0.02 0.00 -1.51 0.00 0.00 37.83 34.82 3kdm s LYS 215 CO 0.07 -0.51 -0.13 0.08 -0.36 0.00 0.00 175.35 174.51 3kdm s VAL 216 N 2.09 1.01 0.05 4.02 1.01 -0.30 -5.01 120.40 123.27 3kdm s VAL 216 Ca 0.03 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.19 3kdm s VAL 216 Cb -0.14 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 3kdm s VAL 216 CO -0.06 0.01 -0.26 -1.81 0.00 0.00 0.00 175.10 172.98 3kdm s ASP 217 N -1.02 3.09 -0.02 3.32 1.01 -1.26 -0.56 116.67 121.22 3kdm s ASP 217 Ca 0.01 -0.60 0.00 0.00 0.71 0.00 0.00 52.55 52.67 3kdm s ASP 217 Cb -0.07 -0.27 0.03 0.00 1.01 0.00 0.00 42.92 43.61 3kdm s ASP 217 CO 0.01 0.24 0.02 -0.75 0.21 0.00 0.00 175.17 174.89 3kdm s LYS 218 N -1.31 0.12 0.06 8.23 2.47 -0.75 -4.98 119.74 123.58 3kdm s LYS 218 Ca 0.11 0.14 -0.29 0.00 -1.56 0.00 0.00 55.97 54.37 3kdm s LYS 218 Cb -0.10 -0.36 -0.05 0.00 -1.46 0.00 0.00 37.83 35.86 3kdm s LYS 218 CO 0.02 -0.16 0.94 0.21 0.16 0.00 0.00 175.35 176.52 3kdm s LYS 219 N 1.08 4.63 -0.36 4.03 2.20 -1.26 -1.18 119.74 128.87 3kdm s LYS 219 Ca -0.09 1.38 -0.05 0.00 -0.36 0.00 0.00 55.97 56.86 3kdm s LYS 219 Cb -0.13 -3.40 0.07 0.00 -1.51 0.00 0.00 37.83 32.85 3kdm s LYS 219 CO -0.02 0.14 0.12 0.00 -0.36 0.00 0.00 175.35 175.23 3kdm s ALA 220 N 0.33 3.05 0.09 3.13 0.00 0.29 -4.77 121.76 123.87 3kdm s ALA 220 Ca 0.47 -2.01 0.01 0.00 0.00 0.00 0.00 51.96 50.44 3kdm s ALA 220 Cb -0.22 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.59 3kdm s ALA 220 CO 0.28 -1.48 -0.06 -1.83 0.00 0.00 0.00 175.76 172.67 3kdm s GLU 221 N 1.30 0.79 1.31 0.00 -1.05 -1.26 -4.25 118.70 115.53 3kdm s GLU 221 Ca 0.00 -1.30 -0.20 0.00 -0.15 0.00 0.00 54.97 53.32 3kdm s GLU 221 Cb -0.21 -0.13 0.32 0.00 -0.44 0.00 0.00 34.13 33.68 3kdm s GLU 221 CO -0.00 -0.03 1.01 -2.14 0.95 0.00 0.00 175.26 175.05 3kdm s PRO 222 N -3.81 -2.03 0.00 -4.83 0.02 -1.26 -4.55 135.00 118.54 3kdm s PRO 222 Ca 0.11 0.11 0.00 0.00 0.02 0.00 0.00 61.00 61.24 3kdm s PRO 222 Cb 0.06 -1.49 0.00 0.00 0.02 0.00 0.00 34.50 33.09 3kdm s PRO 222 CO -0.06 -4.28 0.00 1.17 -0.33 0.00 0.00 177.00 173.50