#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 1.09 -0.11 5.55 -0.21 -0.57 -4.99 119.66 120.43 3kdm s GLN 3 Ca 0.00 -0.31 -0.01 0.00 0.02 0.00 0.00 55.36 55.06 3kdm s GLN 3 Cb 0.00 0.50 0.03 0.00 1.00 0.00 0.00 33.01 34.54 3kdm s GLN 3 CO 0.00 -0.46 -0.04 -0.51 -2.12 0.00 0.00 175.29 172.16 3kdm s LEU 4 N -2.42 1.00 -0.18 2.90 1.43 -1.26 -1.02 118.68 119.13 3kdm s LEU 4 Ca 0.01 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 3kdm s LEU 4 Cb -0.01 -0.69 -0.00 0.00 0.03 0.00 0.00 46.19 45.51 3kdm s LEU 4 CO -0.09 -0.16 -0.11 -0.69 0.23 0.00 0.00 176.35 175.54 3kdm s VAL 5 N 1.80 2.94 0.29 -1.59 1.01 0.38 -3.97 120.40 121.27 3kdm s VAL 5 Ca 0.04 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 3kdm s VAL 5 Cb -0.13 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 3kdm s VAL 5 CO -0.07 0.48 0.51 -1.61 0.00 0.00 0.00 175.10 174.41 3kdm s GLU 6 N 1.08 3.53 0.21 2.72 2.02 -1.26 -0.40 118.70 126.61 3kdm s GLU 6 Ca 0.00 -0.24 -0.21 0.00 0.02 0.00 0.00 54.97 54.54 3kdm s GLU 6 Cb -0.15 -2.70 0.04 0.00 0.10 0.00 0.00 34.13 31.42 3kdm s GLU 6 CO -0.03 0.23 0.62 -1.54 0.02 0.00 0.00 175.26 174.56 3kdm s SER 7 N -3.58 -0.37 0.00 -0.19 1.04 0.02 -4.95 113.70 105.67 3kdm s SER 7 Ca 0.41 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.48 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 0.33 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 174.03 3kdm n GLY 8 N -0.40 0.76 3.48 7.32 0.00 -1.26 -0.45 105.19 114.65 3kdm n GLY 8 Ca -0.10 0.00 -0.28 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 -1.75 1.52 0.00 -0.02 0.00 -1.26 -4.66 107.32 101.16 3kdm s GLY 9 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.41 3kdm s GLY 9 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 173.10 174.17 3kdm n GLY 10 N 0.59 -2.12 3.69 0.20 0.00 -0.53 -4.97 105.19 102.05 3kdm n GLY 10 Ca 0.04 -1.24 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 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 4.20 0.03 0.99 2.96 -1.25 -0.58 118.68 125.03 3kdm s LEU 11 Ca 0.00 0.71 0.03 0.00 -0.22 0.00 0.00 54.13 54.65 3kdm s LEU 11 Cb 0.00 -2.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.00 3kdm s LEU 11 CO 0.00 -0.08 -0.08 0.54 -1.32 0.00 0.00 176.35 175.40 3kdm s VAL 12 N 1.14 0.61 0.41 1.68 0.11 0.13 -4.97 120.40 119.52 3kdm s VAL 12 Ca 0.24 -0.83 -0.23 0.00 -2.93 0.00 0.00 61.98 58.23 3kdm s VAL 12 Cb -0.15 -0.61 -0.10 0.00 -1.53 0.00 0.00 36.38 33.99 3kdm s VAL 12 CO 0.10 -0.17 1.00 -1.10 -3.33 0.00 0.00 175.10 171.60 3kdm s GLN 13 N -1.10 4.18 0.96 1.54 -1.52 -1.22 0.56 119.66 123.07 3kdm s GLN 13 Ca -0.04 1.35 -0.14 0.00 -1.95 0.00 0.00 55.36 54.58 3kdm s GLN 13 Cb -0.07 -2.41 -0.01 0.00 -0.22 0.00 0.00 33.01 30.30 3kdm s GLN 13 CO 0.00 -0.10 0.10 -2.30 -0.25 0.00 0.00 175.29 172.75 3kdm n PRO 14 N -0.28 -0.22 0.00 2.91 -0.02 -1.26 -0.53 135.00 135.61 3kdm n PRO 14 Ca 0.06 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3kdm n PRO 14 Cb 0.51 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 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 2.00 0.00 3.05 -1.23 0.00 0.63 -4.88 105.19 104.76 3kdm n GLY 15 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.59 -1.82 3.29 -0.02 0.00 0.31 -4.20 105.19 101.16 3kdm n GLY 16 Ca 0.00 -1.64 -0.19 0.00 0.00 0.00 0.00 46.02 44.19 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 -4.64 2.32 -0.11 1.61 0.01 -1.26 0.44 113.70 112.08 3kdm s SER 17 Ca 0.60 -0.88 -0.19 0.00 1.31 0.00 0.00 55.95 56.79 3kdm s SER 17 Cb -0.03 -0.11 0.05 0.00 0.21 0.00 0.00 66.02 66.14 3kdm s SER 17 CO 0.43 -0.13 0.48 -0.22 0.41 0.00 0.00 173.24 174.21 3kdm s LEU 18 N -2.74 0.17 -0.23 2.44 2.96 0.64 -4.94 118.68 116.98 3kdm s LEU 18 Ca 0.14 0.67 -0.02 0.00 -0.22 0.00 0.00 54.13 54.71 3kdm s LEU 18 Cb -0.04 1.74 0.02 0.00 0.50 0.00 0.00 46.19 48.41 3kdm s LEU 18 CO 0.05 -0.34 -0.08 -0.60 -1.32 0.00 0.00 176.35 174.06 3kdm s ARG 19 N -0.51 2.97 0.17 1.98 3.52 -1.26 0.31 118.95 126.13 3kdm s ARG 19 Ca -0.06 -0.88 -0.11 0.00 -0.13 0.00 0.00 55.73 54.55 3kdm s ARG 19 Cb -0.03 -2.93 -0.07 0.00 -1.56 0.00 0.00 34.95 30.36 3kdm s ARG 19 CO 0.04 -0.33 0.51 -0.51 -0.81 0.00 0.00 175.30 174.19 3kdm s LEU 20 N 1.35 4.27 0.18 -0.88 1.43 -0.38 -4.63 118.68 120.02 3kdm s LEU 20 Ca 0.02 0.92 0.10 0.00 -1.03 0.00 0.00 54.13 54.14 3kdm s LEU 20 Cb -0.16 -3.38 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 3kdm s LEU 20 CO -0.05 0.04 -0.21 -0.44 0.23 0.00 0.00 176.35 175.92 3kdm s SER 21 N -2.04 3.03 -0.29 2.29 0.01 0.41 -1.07 113.70 116.04 3kdm s SER 21 Ca 0.41 -0.87 0.01 0.00 1.31 0.00 0.00 55.95 56.81 3kdm s SER 21 Cb -0.13 -0.20 0.15 0.00 0.21 0.00 0.00 66.02 66.05 3kdm s SER 21 CO 0.20 0.03 0.36 0.00 0.41 0.00 0.00 173.24 174.25 3kdm s ALA 23 N 2.47 3.57 -0.07 0.00 0.00 0.47 -0.60 121.76 127.60 3kdm s ALA 23 Ca 0.10 -0.74 -0.14 0.00 0.00 0.00 0.00 51.96 51.17 3kdm s ALA 23 Cb -0.13 -2.59 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 3kdm s ALA 23 CO -0.30 -0.43 0.37 0.00 0.00 0.00 0.00 175.76 175.40 3kdm s ALA 24 N 1.58 3.65 0.05 0.00 0.00 0.39 -0.47 121.76 126.95 3kdm s ALA 24 Ca 0.14 -0.31 -0.00 0.00 0.00 0.00 0.00 51.96 51.79 3kdm s ALA 24 Cb -0.15 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 3kdm s ALA 24 CO 0.08 0.31 -0.04 -1.54 0.00 0.00 0.00 175.76 174.57 3kdm s SER 25 N -0.37 0.54 0.00 0.00 1.04 -0.19 -4.76 113.70 109.97 3kdm s SER 25 Ca 0.22 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.77 3kdm s SER 25 Cb -0.15 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.13 3kdm s SER 25 CO 0.10 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.42 3kdm n GLY 26 N 0.46 0.85 3.69 7.32 0.00 -1.26 -1.51 105.19 114.74 3kdm n GLY 26 Ca -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.35 0.04 -1.21 1.61 -0.71 -1.26 -4.57 117.98 108.53 3kdm s PHE 27 Ca 0.00 -0.44 -0.18 0.00 -1.04 0.00 0.00 56.93 55.27 3kdm s PHE 27 Cb 0.00 0.44 0.09 0.00 -1.21 0.00 0.00 43.02 42.34 3kdm s PHE 27 CO 0.00 -1.08 1.60 0.99 -1.34 0.00 0.00 175.22 175.39 3kdm s THR 28 N -3.95 4.29 0.51 -4.49 2.01 -1.26 -4.85 115.64 107.90 3kdm s THR 28 Ca 0.15 -1.84 0.34 0.00 0.31 0.00 0.00 61.69 60.66 3kdm s THR 28 Cb -0.03 -5.10 0.54 0.00 0.01 0.00 0.00 72.50 67.92 3kdm s THR 28 CO 0.06 -1.91 1.77 0.15 -0.69 0.00 0.00 174.62 174.00 3kdm h PHE 29 N 7.94 0.15 0.00 4.92 3.57 -1.95 -0.80 116.94 130.77 3kdm h PHE 29 Ca 0.37 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.81 3kdm h PHE 29 Cb 0.90 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 3kdm h PHE 29 CO 1.33 -0.00 -0.30 0.66 -2.23 0.00 0.00 178.31 177.76 3kdm h SER 30 N 0.07 0.00 0.56 0.41 4.64 -1.88 -3.21 113.55 114.16 3kdm h SER 30 Ca 0.61 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.93 3kdm h SER 30 Cb 2.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.36 3kdm h SER 30 CO -0.08 0.30 0.00 -1.20 -0.87 0.00 0.00 176.83 174.98 3kdm n SER 31 N -3.38 0.00 -3.96 4.97 7.64 -0.31 -4.11 113.62 114.47 3kdm n SER 31 Ca 0.01 -0.15 -0.20 0.00 1.01 0.00 0.00 58.87 59.54 3kdm n SER 31 Cb 0.51 -0.28 -0.16 0.00 -1.01 0.00 0.00 64.21 63.27 3kdm n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3kdm s TYR 32 N -2.57 0.83 0.39 1.43 1.51 -1.21 -4.77 117.35 112.96 3kdm s TYR 32 Ca 0.29 -0.21 -0.28 0.00 -1.01 0.00 0.00 57.07 55.86 3kdm s TYR 32 Cb 0.20 -0.63 -0.10 0.00 -0.11 0.00 0.00 41.96 41.31 3kdm s TYR 32 CO 0.46 -0.12 1.48 0.00 -1.11 0.00 0.00 175.55 176.26 3kdm s ALA 33 N 0.39 3.52 0.33 3.71 0.00 -1.26 -4.10 121.76 124.35 3kdm s ALA 33 Ca -0.06 1.56 0.06 0.00 0.00 0.00 0.00 51.96 53.53 3kdm s ALA 33 Cb -0.10 -3.61 -0.07 0.00 0.00 0.00 0.00 23.12 19.35 3kdm s ALA 33 CO 0.00 -1.09 -0.02 -1.64 0.00 0.00 0.00 175.76 173.01 3kdm s MET 34 N -2.17 1.70 -0.02 0.00 -1.94 -1.12 -2.48 119.30 113.28 3kdm s MET 34 Ca 0.54 -1.91 -0.16 0.00 -1.71 0.00 0.00 55.69 52.45 3kdm s MET 34 Cb -0.46 -1.26 0.03 0.00 2.01 0.00 0.00 34.83 35.14 3kdm s MET 34 CO 0.62 -0.03 0.33 0.45 -0.01 0.00 0.00 175.02 176.39 3kdm s SER 35 N -3.54 -0.22 -0.22 3.03 0.15 -0.58 -2.47 113.70 109.85 3kdm s SER 35 Ca 0.33 0.15 -0.05 0.00 0.70 0.00 0.00 55.95 57.07 3kdm s SER 35 Cb 0.06 0.34 -0.02 0.00 -1.71 0.00 0.00 66.02 64.69 3kdm s SER 35 CO 0.15 -0.44 0.01 0.26 1.20 0.00 0.00 173.24 174.41 3kdm s TRP 36 N -1.25 3.02 -0.04 3.44 0.52 0.22 -1.95 118.94 122.91 3kdm s TRP 36 Ca -0.13 -0.60 0.07 0.00 0.02 0.00 0.00 56.10 55.45 3kdm s TRP 36 Cb -0.05 -2.14 -0.02 0.00 -1.15 0.00 0.00 33.47 30.12 3kdm s TRP 36 CO 0.04 -0.38 -0.24 0.08 0.02 0.00 0.00 176.95 176.48 3kdm s VAL 37 N 1.34 2.24 0.26 4.03 1.01 0.07 -1.60 120.40 127.75 3kdm s VAL 37 Ca 0.04 -1.03 0.10 0.00 0.00 0.00 0.00 61.98 61.09 3kdm s VAL 37 Cb -0.15 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 3kdm s VAL 37 CO 0.01 0.58 -0.16 0.00 0.00 0.00 0.00 175.10 175.53 3kdm s ARG 38 N -0.51 1.54 -0.16 2.72 1.70 -0.71 0.45 118.95 123.98 3kdm s ARG 38 Ca 0.07 -1.71 -0.04 0.00 -0.47 0.00 0.00 55.73 53.58 3kdm s ARG 38 Cb -0.11 -1.45 0.07 0.00 -0.57 0.00 0.00 34.95 32.89 3kdm s ARG 38 CO 0.00 0.23 0.19 -1.14 -1.08 0.00 0.00 175.30 173.51 3kdm s GLN 39 N -3.59 0.13 0.72 3.89 0.74 -0.14 -0.19 119.66 121.21 3kdm s GLN 39 Ca 0.27 0.34 -0.13 0.00 0.05 0.00 0.00 55.36 55.89 3kdm s GLN 39 Cb -0.02 -0.87 0.03 0.00 1.10 0.00 0.00 33.01 33.24 3kdm s GLN 39 CO 0.12 -0.52 1.10 0.00 -0.55 0.00 0.00 175.29 175.44 3kdm s ALA 40 N 2.31 2.36 -0.15 1.58 0.00 -1.26 -1.21 121.76 125.39 3kdm s ALA 40 Ca 0.05 0.42 -0.37 0.00 0.00 0.00 0.00 51.96 52.06 3kdm s ALA 40 Cb -0.14 -3.30 -0.13 0.00 0.00 0.00 0.00 23.12 19.54 3kdm s ALA 40 CO -0.10 -1.52 1.80 -2.30 0.00 0.00 0.00 175.76 173.64 3kdm n PRO 41 N -2.96 1.74 0.00 0.00 -0.02 -1.26 -1.00 135.00 131.50 3kdm n PRO 41 Ca 0.10 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3kdm n PRO 41 Cb 0.52 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 4.24 2.92 3.09 -1.23 0.00 -1.26 -5.00 105.19 107.94 3kdm n GLY 42 Ca 0.24 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.00 0.50 -2.54 1.61 4.76 -0.17 -5.12 118.16 115.19 3kdm n LYS 43 Ca 0.00 -2.38 -0.23 0.00 -2.87 0.00 0.00 58.31 52.83 3kdm n LYS 43 Cb 0.00 -0.29 0.06 0.00 -1.84 0.00 0.00 35.03 32.96 3kdm n LYS 43 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3kdm s GLY 44 N -4.22 1.79 0.26 0.72 0.00 -1.26 -4.64 107.32 99.97 3kdm s GLY 44 Ca 0.49 -1.37 -0.30 0.00 0.00 0.00 0.00 44.72 43.54 3kdm s GLY 44 CO 0.32 -0.98 1.43 1.08 0.00 0.00 0.00 173.10 174.95 3kdm s LEU 45 N -4.96 4.39 -0.16 0.66 1.43 -1.26 -4.28 118.68 114.49 3kdm s LEU 45 Ca 0.60 2.67 0.01 0.00 -1.03 0.00 0.00 54.13 56.39 3kdm s LEU 45 Cb -0.09 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.53 3kdm s LEU 45 CO 0.41 -0.69 -0.16 -0.70 0.23 0.00 0.00 176.35 175.44 3kdm s GLU 46 N -0.51 2.48 0.14 1.70 2.12 0.74 -4.99 118.70 120.38 3kdm s GLU 46 Ca 0.58 -0.66 -0.31 0.00 0.36 0.00 0.00 54.97 54.94 3kdm s GLU 46 Cb -0.42 -2.27 -0.09 0.00 0.26 0.00 0.00 34.13 31.62 3kdm s GLU 46 CO 0.44 -0.25 1.48 -0.46 -0.54 0.00 0.00 175.26 175.93 3kdm s TRP 47 N 1.42 3.16 -0.14 5.30 -0.00 -1.26 -1.74 118.94 125.68 3kdm s TRP 47 Ca 0.04 0.80 -0.05 0.00 -0.00 0.00 0.00 56.10 56.89 3kdm s TRP 47 Cb -0.13 -3.80 -0.07 0.00 -0.00 0.00 0.00 33.47 29.47 3kdm s TRP 47 CO -0.11 -2.88 -0.16 0.28 -0.00 0.00 0.00 176.95 174.08 3kdm n VAL 48 N 3.96 0.75 -3.51 5.86 0.31 -0.63 -4.74 118.33 120.33 3kdm n VAL 48 Ca 0.13 -0.22 -0.11 0.00 -0.01 0.00 0.00 64.34 64.13 3kdm n VAL 48 Cb 0.40 -1.47 -0.02 0.00 -0.91 0.00 0.00 33.84 31.85 3kdm n VAL 48 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3kdm s SER 49 N -5.94 -0.48 0.06 4.52 1.04 -1.02 -0.16 113.70 111.72 3kdm s SER 49 Ca -0.19 -0.10 -0.14 0.00 0.48 0.00 0.00 55.95 56.00 3kdm s SER 49 Cb 0.07 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.79 3kdm s SER 49 CO 0.26 -0.98 0.31 0.00 0.98 0.00 0.00 173.24 173.81 3kdm s ALA 50 N -3.68 -0.69 -0.00 5.32 0.00 0.37 -0.61 121.76 122.47 3kdm s ALA 50 Ca 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 51.96 51.94 3kdm s ALA 50 Cb -0.02 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.49 3kdm s ALA 50 CO -0.09 -0.45 0.01 -1.50 0.00 0.00 0.00 175.76 173.72 3kdm s ILE 51 N -2.84 -0.00 1.10 0.00 2.07 -1.03 0.37 121.20 120.87 3kdm s ILE 51 Ca -0.03 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.09 3kdm s ILE 51 Cb 0.00 -0.02 0.25 0.00 0.13 0.00 0.00 42.46 42.82 3kdm s ILE 51 CO -0.05 0.00 1.06 -0.94 -1.91 0.00 0.00 174.94 173.10 3kdm s SER 52 N 0.02 1.51 0.35 4.50 1.04 0.94 -2.79 113.70 119.28 3kdm s SER 52 Ca -0.00 1.65 0.04 0.00 0.48 0.00 0.00 55.95 58.12 3kdm s SER 52 Cb -0.00 -2.34 0.70 0.00 0.10 0.00 0.00 66.02 64.47 3kdm s SER 52 CO -0.00 -3.89 1.97 1.23 0.98 0.00 0.00 173.24 173.53 3kdm h GLY 53 N -2.41 0.96 -0.01 7.32 0.00 -1.78 -2.61 103.07 104.55 3kdm h GLY 53 Ca -0.57 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.44 3kdm h GLY 53 CO 0.49 0.26 -0.31 -1.14 0.00 0.00 0.00 176.54 175.84 3kdm n SER 54 N -4.47 1.23 0.00 0.19 3.41 -1.26 -4.62 113.62 108.10 3kdm n SER 54 Ca 0.10 -1.01 0.00 0.00 -0.26 0.00 0.00 58.87 57.69 3kdm n SER 54 Cb 0.17 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 3kdm n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kdm n GLY 55 N 1.36 2.65 0.20 5.00 0.00 -0.98 -4.87 105.19 108.54 3kdm n GLY 55 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.19 3kdm n GLY 55 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kdm h GLY 56 N 0.00 0.00 -6.05 -0.02 0.00 -1.92 -3.35 103.07 91.73 3kdm h GLY 56 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 3kdm h GLY 56 CO 0.00 0.00 -0.85 -0.56 0.00 0.00 0.00 176.54 175.13 3kdm s SER 57 N -6.52 2.77 0.14 0.19 0.01 -1.26 -5.03 113.70 104.00 3kdm s SER 57 Ca -0.01 -0.52 0.10 0.00 1.31 0.00 0.00 55.95 56.83 3kdm s SER 57 Cb 0.12 -1.25 -0.04 0.00 0.21 0.00 0.00 66.02 65.06 3kdm s SER 57 CO 0.68 0.00 -0.23 0.42 0.41 0.00 0.00 173.24 174.52 3kdm s THR 58 N 1.16 2.50 0.02 1.44 -4.23 -1.26 0.32 115.64 115.59 3kdm s THR 58 Ca -0.01 -1.74 -0.02 0.00 -1.18 0.00 0.00 61.69 58.73 3kdm s THR 58 Cb -0.14 -2.15 -0.02 0.00 1.34 0.00 0.00 72.50 71.53 3kdm s THR 58 CO -0.06 0.03 0.02 -0.31 -0.54 0.00 0.00 174.62 173.76 3kdm s TYR 59 N -1.26 0.23 0.00 3.99 2.02 1.19 -4.89 117.35 118.64 3kdm s TYR 59 Ca 0.17 -0.49 -0.03 0.00 -0.37 0.00 0.00 57.07 56.35 3kdm s TYR 59 Cb -0.10 -0.17 -0.01 0.00 -0.40 0.00 0.00 41.96 41.29 3kdm s TYR 59 CO 0.09 -0.25 0.05 0.71 -1.57 0.00 0.00 175.55 174.58 3kdm s TYR 60 N -1.82 0.11 0.62 2.71 2.02 -1.26 0.14 117.35 119.87 3kdm s TYR 60 Ca -0.12 -0.23 -0.14 0.00 -0.37 0.00 0.00 57.07 56.21 3kdm s TYR 60 Cb -0.07 -0.09 -0.03 0.00 -0.40 0.00 0.00 41.96 41.37 3kdm s TYR 60 CO -0.02 -0.20 1.04 0.00 -1.57 0.00 0.00 175.55 174.81 3kdm s ALA 61 N -1.13 2.82 0.01 3.71 0.00 0.78 -4.91 121.76 123.04 3kdm s ALA 61 Ca -0.12 0.20 -0.06 0.00 0.00 0.00 0.00 51.96 51.98 3kdm s ALA 61 Cb -0.07 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 3kdm s ALA 61 CO 0.00 -0.83 1.09 -0.44 0.00 0.00 0.00 175.76 175.58 3kdm h ASP 62 N 0.06 -0.23 0.00 0.00 3.45 -1.92 -0.46 116.42 117.32 3kdm h ASP 62 Ca -0.45 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.02 3kdm h ASP 62 Cb 1.21 0.08 0.00 0.00 -0.56 0.00 0.00 39.33 40.05 3kdm h ASP 62 CO 0.58 -0.10 0.25 -1.54 -1.57 0.00 0.00 179.24 176.86 3kdm n SER 63 N -2.79 0.00 0.00 6.45 3.41 -1.26 -0.39 113.62 119.04 3kdm n SER 63 Ca -0.02 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3kdm n SER 63 Cb 0.07 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 3kdm n SER 63 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3kdm n VAL 64 N -0.97 0.00 -0.28 -3.33 0.31 -1.15 -4.91 118.33 108.00 3kdm n VAL 64 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 3kdm n VAL 64 Cb 0.25 0.07 0.10 0.00 -0.91 0.00 0.00 33.84 33.35 3kdm n VAL 64 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 3kdm h LYS 65 N 0.00 0.00 -0.06 5.55 2.10 0.10 -1.81 116.57 122.45 3kdm h LYS 65 Ca 0.00 -0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.68 3kdm h LYS 65 Cb 0.09 -0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.36 3kdm h LYS 65 CO 0.00 0.00 -0.51 0.78 -2.00 0.00 0.00 179.45 177.72 3kdm h GLY 66 N 0.00 -1.01 -1.07 0.07 0.00 -1.88 -3.33 103.07 95.85 3kdm h GLY 66 Ca 0.39 0.63 0.00 0.00 0.00 0.00 0.00 47.33 48.35 3kdm h GLY 66 CO -0.82 -0.22 0.00 -0.96 0.00 0.00 0.00 176.54 174.53 3kdm n ARG 67 N -5.45 1.27 -4.25 4.80 -4.01 -0.74 -4.98 116.66 103.30 3kdm n ARG 67 Ca -0.06 -1.46 -0.30 0.00 -1.04 0.00 0.00 57.85 54.99 3kdm n ARG 67 Cb 0.39 -1.25 -0.09 0.00 -3.04 0.00 0.00 32.46 28.47 3kdm n ARG 67 CO 0.00 0.00 0.00 -0.06 -3.04 0.00 0.00 177.63 174.53 3kdm s PHE 68 N -1.00 2.86 -0.07 2.89 0.40 -0.85 -3.13 117.98 119.08 3kdm s PHE 68 Ca 0.17 -0.09 -0.03 0.00 -0.60 0.00 0.00 56.93 56.39 3kdm s PHE 68 Cb 0.11 -1.51 0.04 0.00 0.51 0.00 0.00 43.02 42.17 3kdm s PHE 68 CO 0.15 0.43 0.08 0.99 0.70 0.00 0.00 175.22 177.57 3kdm s THR 69 N -1.19 -0.13 0.26 0.64 2.01 -1.16 -4.83 115.64 111.24 3kdm s THR 69 Ca 0.22 0.33 -0.11 0.00 0.31 0.00 0.00 61.69 62.44 3kdm s THR 69 Cb -0.11 -0.23 -0.08 0.00 0.01 0.00 0.00 72.50 72.09 3kdm s THR 69 CO 0.14 0.11 0.62 -0.51 -0.69 0.00 0.00 174.62 174.28 3kdm s ILE 70 N 2.18 4.84 0.29 1.82 2.07 -1.26 -2.89 121.20 128.25 3kdm s ILE 70 Ca 0.04 0.63 -0.20 0.00 -1.41 0.00 0.00 60.65 59.71 3kdm s ILE 70 Cb -0.13 -3.62 0.03 0.00 0.13 0.00 0.00 42.46 38.88 3kdm s ILE 70 CO -0.04 -0.12 0.75 -0.94 -1.91 0.00 0.00 174.94 172.68 3kdm s SER 71 N -2.35 -0.21 0.15 4.50 1.04 -0.94 -4.98 113.70 110.91 3kdm s SER 71 Ca 0.50 -0.69 -0.20 0.00 0.48 0.00 0.00 55.95 56.04 3kdm s SER 71 Cb -0.11 0.74 0.05 0.00 0.10 0.00 0.00 66.02 66.80 3kdm s SER 71 CO 0.20 -1.38 0.52 0.00 0.98 0.00 0.00 173.24 173.56 3kdm s ARG 72 N -3.59 1.21 -0.25 4.02 1.70 -1.26 -1.05 118.95 119.73 3kdm s ARG 72 Ca 0.12 -0.61 -0.03 0.00 -0.47 0.00 0.00 55.73 54.74 3kdm s ARG 72 Cb -0.06 0.54 0.08 0.00 -0.57 0.00 0.00 34.95 34.94 3kdm s ARG 72 CO 0.07 -0.51 0.09 0.34 -1.08 0.00 0.00 175.30 174.21 3kdm s ASP 73 N -2.79 3.27 0.00 -2.89 -1.08 0.20 -4.97 116.67 108.41 3kdm s ASP 73 Ca 0.03 -1.12 0.29 0.00 -0.52 0.00 0.00 52.55 51.22 3kdm s ASP 73 Cb 0.00 -0.52 1.20 0.00 -1.46 0.00 0.00 42.92 42.14 3kdm s ASP 73 CO -0.11 -0.38 1.88 0.59 0.52 0.00 0.00 175.17 177.67 3kdm n ASN 74 N 5.11 0.11 0.00 -0.34 3.02 -1.26 0.47 115.26 122.36 3kdm n ASN 74 Ca -0.06 0.19 -0.21 0.00 -0.03 0.00 0.00 54.58 54.46 3kdm n ASN 74 Cb 0.45 -0.32 -0.14 0.00 -0.61 0.00 0.00 39.78 39.16 3kdm n ASN 74 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 3kdm h SER 75 N 0.05 0.36 0.34 6.41 0.87 -1.98 -3.34 113.55 116.26 3kdm h SER 75 Ca 0.00 -0.84 0.00 0.00 -1.23 0.00 0.00 61.79 59.72 3kdm h SER 75 Cb 0.45 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 3kdm h SER 75 CO 0.00 1.65 -0.09 0.29 -0.53 0.00 0.00 176.83 178.14 3kdm n LYS 76 N -3.89 0.73 -3.80 2.24 5.02 -1.09 -4.97 118.16 112.40 3kdm n LYS 76 Ca -0.26 -0.23 -0.23 0.00 -2.02 0.00 0.00 58.31 55.56 3kdm n LYS 76 Cb 0.91 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.43 3kdm n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3kdm n ASN 77 N -0.93 -0.95 -3.80 4.39 4.13 1.70 -4.63 115.26 115.17 3kdm n ASN 77 Ca 0.15 -0.90 -0.15 0.00 1.68 0.00 0.00 54.58 55.36 3kdm n ASN 77 Cb 0.27 -3.64 -0.16 0.00 -1.54 0.00 0.00 39.78 34.71 3kdm n ASN 77 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3kdm s THR 78 N -3.78 0.02 0.01 3.41 2.01 -0.30 0.15 115.64 117.16 3kdm s THR 78 Ca 0.02 0.15 -0.03 0.00 0.31 0.00 0.00 61.69 62.14 3kdm s THR 78 Cb -0.01 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.33 3kdm s THR 78 CO 0.84 0.10 0.21 -0.22 -0.69 0.00 0.00 174.62 174.86 3kdm s LEU 79 N 0.94 4.36 0.01 4.42 2.96 0.24 -0.63 118.68 130.99 3kdm s LEU 79 Ca -0.08 0.37 0.04 0.00 -0.22 0.00 0.00 54.13 54.24 3kdm s LEU 79 Cb -0.12 -2.72 -0.02 0.00 0.50 0.00 0.00 46.19 43.84 3kdm s LEU 79 CO -0.02 0.24 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.80 3kdm s TYR 80 N -1.37 1.17 -0.72 5.38 1.51 -0.22 -1.14 117.35 121.97 3kdm s TYR 80 Ca 0.29 -0.28 0.04 0.00 -1.01 0.00 0.00 57.07 56.11 3kdm s TYR 80 Cb -0.13 -0.72 0.23 0.00 -0.11 0.00 0.00 41.96 41.23 3kdm s TYR 80 CO 0.20 0.01 0.75 -0.11 -1.11 0.00 0.00 175.55 175.29 3kdm n LEU 81 N 2.35 3.86 -4.70 -1.29 7.94 -0.23 -2.22 117.00 122.71 3kdm n LEU 81 Ca -0.16 -5.35 -0.59 0.00 -1.11 0.00 0.00 56.01 48.80 3kdm n LEU 81 Cb 0.55 -0.78 -0.08 0.00 0.53 0.00 0.00 43.42 43.64 3kdm n LEU 81 CO 0.24 1.91 1.32 1.67 -1.11 0.00 0.00 177.39 181.42 3kdm n GLN 82 N 1.28 0.93 -4.04 1.96 -0.06 -1.14 -1.25 117.38 115.05 3kdm n GLN 82 Ca 0.26 0.34 -0.33 0.00 -2.00 0.00 0.00 57.00 55.27 3kdm n GLN 82 Cb 0.38 -2.00 -0.15 0.00 -4.06 0.00 0.00 30.24 24.42 3kdm n GLN 82 CO 0.00 0.00 0.00 1.41 -0.20 0.00 0.00 177.06 178.27 3kdm s MET 83 N 3.62 2.77 0.37 3.69 1.75 0.93 -3.01 119.30 129.40 3kdm s MET 83 Ca 1.00 -1.00 0.09 0.00 -1.25 0.00 0.00 55.69 54.53 3kdm s MET 83 Cb -1.15 -2.81 -0.07 0.00 2.84 0.00 0.00 34.83 33.64 3kdm s MET 83 CO 0.68 -0.36 -0.06 -0.80 -0.65 0.00 0.00 175.02 173.83 3kdm s ASN 84 N 1.26 3.77 -1.52 1.11 0.01 -1.18 0.23 114.94 118.62 3kdm s ASN 84 Ca -0.00 -1.26 -0.04 0.00 -0.71 0.00 0.00 52.86 50.86 3kdm s ASN 84 Cb -0.16 -0.36 0.00 0.00 0.41 0.00 0.00 41.25 41.14 3kdm s ASN 84 CO -0.08 -0.29 0.48 -1.20 -1.51 0.00 0.00 177.10 174.50 3kdm n SER 85 N -0.85 -5.89 -4.71 -1.22 7.64 -0.91 -4.48 113.62 103.20 3kdm n SER 85 Ca -0.05 -0.23 -0.40 0.00 1.01 0.00 0.00 58.87 59.20 3kdm n SER 85 Cb 0.65 -4.74 0.02 0.00 -1.01 0.00 0.00 64.21 59.13 3kdm n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3kdm n LEU 86 N -3.66 4.52 -4.54 -3.43 4.77 1.54 -4.60 117.00 111.59 3kdm n LEU 86 Ca -0.13 1.05 -0.25 0.00 -0.03 0.00 0.00 56.01 56.65 3kdm n LEU 86 Cb 0.63 -1.52 -0.11 0.00 -2.33 0.00 0.00 43.42 40.09 3kdm n LEU 86 CO 0.42 -0.67 -0.29 -0.13 -1.33 0.00 0.00 177.39 175.39 3kdm s ARG 87 N -2.46 1.82 0.43 3.23 3.00 -1.26 -0.27 118.95 123.44 3kdm s ARG 87 Ca 0.65 -2.01 0.09 0.00 0.00 0.00 0.00 55.73 54.46 3kdm s ARG 87 Cb -0.47 -1.31 0.94 0.00 0.00 0.00 0.00 34.95 34.11 3kdm s ARG 87 CO 0.55 -0.10 2.07 0.00 0.00 0.00 0.00 175.30 177.82 3kdm h ALA 88 N 1.93 1.75 0.00 2.13 0.00 -1.96 -0.63 119.26 122.48 3kdm h ALA 88 Ca -0.42 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3kdm h ALA 88 Cb 1.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3kdm h ALA 88 CO 0.76 0.22 0.00 0.39 0.00 0.00 0.00 179.25 180.61 3kdm n GLU 89 N -4.47 0.90 -0.12 0.00 4.71 -1.26 -1.63 120.64 118.77 3kdm n GLU 89 Ca 0.01 0.00 0.09 0.00 -0.01 0.00 0.00 57.16 57.25 3kdm n GLU 89 Cb 0.08 -1.50 0.30 0.00 -1.01 0.00 0.00 31.44 29.32 3kdm n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3kdm n ASP 90 N -1.05 1.77 -4.64 1.62 10.43 -0.24 -4.88 116.55 119.56 3kdm n ASP 90 Ca 0.22 -1.81 -0.43 0.00 2.57 0.00 0.00 54.79 55.35 3kdm n ASP 90 Cb 0.13 -0.15 -0.03 0.00 1.84 0.00 0.00 41.12 42.91 3kdm n ASP 90 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3kdm s THR 91 N -1.69 3.64 -0.14 -3.53 2.01 -0.65 -4.87 115.64 110.42 3kdm s THR 91 Ca 0.30 0.74 -0.34 0.00 0.31 0.00 0.00 61.69 62.70 3kdm s THR 91 Cb 0.16 -3.60 0.13 0.00 0.01 0.00 0.00 72.50 69.20 3kdm s THR 91 CO 0.23 -0.20 1.25 0.00 -0.69 0.00 0.00 174.62 175.20 3kdm s ALA 92 N 4.93 -2.14 -0.06 7.40 0.00 -0.48 -4.38 121.76 127.02 3kdm s ALA 92 Ca 0.73 1.31 -0.26 0.00 0.00 0.00 0.00 51.96 53.73 3kdm s ALA 92 Cb -0.28 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 3kdm s ALA 92 CO 0.29 -0.75 0.83 0.08 0.00 0.00 0.00 175.76 176.21 3kdm s VAL 93 N -2.40 4.95 -0.21 0.00 1.01 -0.35 -0.75 120.40 122.65 3kdm s VAL 93 Ca 0.11 1.72 -0.08 0.00 0.00 0.00 0.00 61.98 63.73 3kdm s VAL 93 Cb 0.01 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 3kdm s VAL 93 CO -0.04 0.17 0.08 -0.31 0.00 0.00 0.00 175.10 175.00 3kdm s TYR 94 N 1.15 3.22 0.06 5.22 1.51 0.42 -0.96 117.35 127.97 3kdm s TYR 94 Ca 0.43 -0.01 0.06 0.00 -1.01 0.00 0.00 57.07 56.54 3kdm s TYR 94 Cb -0.19 -2.15 -0.04 0.00 -0.11 0.00 0.00 41.96 39.48 3kdm s TYR 94 CO 0.21 0.02 -0.12 0.71 -1.11 0.00 0.00 175.55 175.25 3kdm s TYR 95 N 0.79 2.70 0.20 2.71 2.02 0.17 -0.83 117.35 125.11 3kdm s TYR 95 Ca 0.04 -0.17 0.06 0.00 -0.37 0.00 0.00 57.07 56.63 3kdm s TYR 95 Cb -0.13 -1.48 -0.04 0.00 -0.40 0.00 0.00 41.96 39.91 3kdm s TYR 95 CO 0.02 0.35 0.19 0.00 -1.57 0.00 0.00 175.55 174.54 3kdm s ALA 97 N -1.92 -1.41 -0.06 0.00 0.00 -0.82 -1.86 121.76 115.69 3kdm s ALA 97 Ca 0.32 0.94 -0.17 0.00 0.00 0.00 0.00 51.96 53.06 3kdm s ALA 97 Cb -0.09 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 3kdm s ALA 97 CO 0.25 -0.34 0.45 0.50 0.00 0.00 0.00 175.76 176.61 3kdm s ARG 98 N -1.33 4.16 -0.22 0.00 3.52 0.25 -1.52 118.95 123.80 3kdm s ARG 98 Ca -0.11 0.44 -0.21 0.00 -0.13 0.00 0.00 55.73 55.71 3kdm s ARG 98 Cb -0.02 -3.34 -0.02 0.00 -1.56 0.00 0.00 34.95 30.02 3kdm s ARG 98 CO 0.07 0.41 0.65 0.34 -0.81 0.00 0.00 175.30 175.96 3kdm s ASP 99 N -0.19 6.66 0.00 -2.12 -1.08 -1.03 -0.08 116.67 118.83 3kdm s ASP 99 Ca 0.25 0.81 0.16 0.00 -0.52 0.00 0.00 52.55 53.24 3kdm s ASP 99 Cb -0.16 -2.35 0.94 0.00 -1.46 0.00 0.00 42.92 39.88 3kdm s ASP 99 CO 0.12 -0.34 1.58 -0.81 0.52 0.00 0.00 175.17 176.25 3kdm n PRO 100 N 5.40 0.97 -1.68 4.34 -0.04 -1.26 -4.49 135.00 138.25 3kdm n PRO 100 Ca -0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 3kdm n PRO 100 Cb 0.49 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.52 0.90 -0.10 0.55 0.00 -1.25 -4.88 107.32 101.02 3kdm s GLY 101 Ca 0.24 0.93 -0.24 0.00 0.00 0.00 0.00 44.72 45.64 3kdm s GLY 101 CO 0.18 3.61 0.76 -2.00 0.00 0.00 0.00 173.10 175.65 3kdm h LEU 102 N 13.22 -0.03 -0.02 0.66 5.85 -1.87 -3.39 115.31 129.74 3kdm h LEU 102 Ca -0.43 -0.70 0.00 0.00 0.84 0.00 0.00 57.88 57.59 3kdm h LEU 102 Cb 1.23 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3kdm h LEU 102 CO 0.96 0.76 -0.46 0.79 -0.34 0.00 0.00 178.44 180.15 3kdm n TRP 103 N -4.72 0.00 -3.94 1.25 7.02 -1.26 -4.94 117.44 110.85 3kdm n TRP 103 Ca -0.08 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.30 3kdm n TRP 103 Cb 0.35 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.18 3kdm n TRP 103 CO 0.00 0.00 0.00 0.16 -2.02 0.00 0.00 177.69 175.83 3kdm s ASP 104 N -1.92 0.01 0.16 -0.99 1.47 -1.26 -5.16 116.67 108.97 3kdm s ASP 104 Ca 0.04 -0.84 -0.06 0.00 1.18 0.00 0.00 52.55 52.87 3kdm s ASP 104 Cb 0.08 0.45 -0.06 0.00 -0.34 0.00 0.00 42.92 43.05 3kdm s ASP 104 CO 0.40 -0.91 0.42 -0.31 0.68 0.00 0.00 175.17 175.45 3kdm s TYR 105 N -3.96 3.47 0.14 2.11 4.12 -1.26 -3.89 117.35 118.08 3kdm s TYR 105 Ca 0.17 0.65 0.06 0.00 0.02 0.00 0.00 57.07 57.97 3kdm s TYR 105 Cb 0.03 -2.08 -0.12 0.00 -1.52 0.00 0.00 41.96 38.27 3kdm s TYR 105 CO 0.00 0.40 1.33 1.88 0.02 0.00 0.00 175.55 179.18 3kdm h TYR 106 N 2.82 0.05 -6.16 2.71 0.99 -1.91 -3.47 116.97 112.00 3kdm h TYR 106 Ca -0.46 -0.03 -0.45 0.00 2.00 0.00 0.00 58.73 59.79 3kdm h TYR 106 Cb 1.17 -0.00 0.02 0.00 1.00 0.00 0.00 36.73 38.91 3kdm h TYR 106 CO 0.62 0.96 -0.76 0.66 -0.00 0.00 0.00 178.16 179.64 3kdm n TYR 107 N -3.45 -2.32 -3.69 4.88 4.02 -1.26 -5.01 117.16 110.33 3kdm n TYR 107 Ca -0.01 0.91 -0.10 0.00 -0.01 0.00 0.00 57.90 58.69 3kdm n TYR 107 Cb 0.89 -4.29 -0.10 0.00 -0.02 0.00 0.00 39.34 35.81 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 -3.58 -0.37 -0.31 2.72 0.00 -1.26 -5.15 107.32 99.38 3kdm s GLY 108 Ca 0.49 1.62 -0.12 0.00 0.00 0.00 0.00 44.72 46.71 3kdm s GLY 108 CO 0.81 1.69 0.21 1.06 0.00 0.00 0.00 173.10 176.87 3kdm s MET 109 N 1.24 3.71 -0.24 2.90 -1.94 -1.26 -4.02 119.30 119.69 3kdm s MET 109 Ca -0.08 -0.49 -0.13 0.00 -1.71 0.00 0.00 55.69 53.28 3kdm s MET 109 Cb -0.07 -3.71 -0.10 0.00 2.01 0.00 0.00 34.83 32.95 3kdm s MET 109 CO -0.12 -0.31 -0.32 -0.40 -0.01 0.00 0.00 175.02 173.86 3kdm n ASP 110 N 5.07 1.77 -4.67 3.03 5.75 0.89 -4.89 116.55 123.51 3kdm n ASP 110 Ca -0.13 0.31 -0.39 0.00 -0.01 0.00 0.00 54.79 54.56 3kdm n ASP 110 Cb 0.51 -0.73 -0.07 0.00 -1.03 0.00 0.00 41.12 39.80 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 -2.49 5.12 0.03 2.12 1.01 -1.25 -4.94 120.40 119.99 3kdm s VAL 111 Ca -0.34 0.94 0.09 0.00 0.00 0.00 0.00 61.98 62.66 3kdm s VAL 111 Cb 0.13 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3kdm s VAL 111 CO 0.44 0.20 -0.26 0.26 0.00 0.00 0.00 175.10 175.73 3kdm s TRP 112 N 1.52 2.28 0.44 5.22 0.52 -1.26 -0.59 118.94 127.08 3kdm s TRP 112 Ca 0.24 -0.42 -0.07 0.00 0.02 0.00 0.00 56.10 55.87 3kdm s TRP 112 Cb -0.15 -1.39 0.11 0.00 -1.15 0.00 0.00 33.47 30.88 3kdm s TRP 112 CO 0.10 0.09 0.50 0.41 0.02 0.00 0.00 176.95 178.07 3kdm n GLY 113 N 1.93 -1.82 0.11 0.98 0.00 -0.78 -4.59 105.19 101.03 3kdm n GLY 113 Ca -0.17 -1.60 0.12 0.00 0.00 0.00 0.00 46.02 44.38 3kdm n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kdm n GLN 114 N -2.44 0.35 0.00 1.61 0.00 -1.25 -4.86 117.38 110.78 3kdm n GLN 114 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 57.00 56.85 3kdm n GLN 114 Cb 0.24 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.98 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 1.44 1.41 2.91 2.61 0.00 -1.26 -5.05 105.19 107.26 3kdm n GLY 115 Ca 0.08 -1.63 -0.20 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.02 0.56 -0.08 2.61 -1.32 -0.01 -4.86 115.64 110.53 3kdm s THR 116 Ca 0.00 -0.16 -0.30 0.00 -1.21 0.00 0.00 61.69 60.02 3kdm s THR 116 Cb 0.00 -0.57 -0.02 0.00 -1.51 0.00 0.00 72.50 70.40 3kdm s THR 116 CO 0.00 0.22 1.11 -0.22 -2.21 0.00 0.00 174.62 173.52 3kdm s LEU 117 N 0.75 4.26 -0.23 9.08 2.96 -1.26 -0.44 118.68 133.80 3kdm s LEU 117 Ca -0.10 1.68 -0.04 0.00 -0.22 0.00 0.00 54.13 55.46 3kdm s LEU 117 Cb -0.13 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.00 3kdm s LEU 117 CO 0.00 -0.53 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.78 3kdm s VAL 118 N 2.14 3.29 -0.26 1.68 1.01 0.07 -1.45 120.40 126.88 3kdm s VAL 118 Ca 0.52 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 3kdm s VAL 118 Cb -0.22 -2.55 0.03 0.00 0.00 0.00 0.00 36.38 33.64 3kdm s VAL 118 CO 0.20 0.34 -0.06 -0.89 0.00 0.00 0.00 175.10 174.69 3kdm s THR 119 N 1.44 2.82 -0.44 3.92 2.01 0.26 -1.39 115.64 124.26 3kdm s THR 119 Ca 0.04 -1.14 -0.14 0.00 0.31 0.00 0.00 61.69 60.75 3kdm s THR 119 Cb -0.15 -2.48 0.05 0.00 0.01 0.00 0.00 72.50 69.93 3kdm s THR 119 CO -0.03 0.13 0.34 -0.69 -0.69 0.00 0.00 174.62 173.67 3kdm s VAL 120 N 1.29 5.11 0.04 3.82 1.01 -1.26 0.21 120.40 130.62 3kdm s VAL 120 Ca -0.02 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 60.79 3kdm s VAL 120 Cb -0.17 -3.97 0.05 0.00 0.00 0.00 0.00 36.38 32.29 3kdm s VAL 120 CO -0.04 -0.46 0.54 -0.55 0.00 0.00 0.00 175.10 174.59 3kdm s SER 121 N 2.17 -0.47 0.00 3.32 0.15 0.19 -4.36 113.70 114.71 3kdm s SER 121 Ca 0.04 0.22 0.23 0.00 0.70 0.00 0.00 55.95 57.14 3kdm s SER 121 Cb -0.22 0.50 0.17 0.00 -1.71 0.00 0.00 66.02 64.76 3kdm s SER 121 CO 0.07 -0.72 1.18 -1.54 1.20 0.00 0.00 173.24 173.44 3kdm n SER 122 N 0.42 1.15 -4.74 5.45 3.41 -1.26 -3.39 113.62 114.66 3kdm n SER 122 Ca -0.18 -0.94 -0.33 0.00 -0.26 0.00 0.00 58.87 57.16 3kdm n SER 122 Cb 0.60 0.55 0.09 0.00 -0.26 0.00 0.00 64.21 65.19 3kdm n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kdm s ALA 123 N -2.78 2.15 0.29 7.33 0.00 -1.26 -5.04 121.76 122.45 3kdm s ALA 123 Ca 0.14 0.61 0.07 0.00 0.00 0.00 0.00 51.96 52.78 3kdm s ALA 123 Cb 0.17 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 3kdm s ALA 123 CO 0.69 -1.81 0.27 -1.54 0.00 0.00 0.00 175.76 173.37 3kdm s SER 124 N -2.57 5.56 0.31 0.00 1.04 -1.26 -4.98 113.70 111.81 3kdm s SER 124 Ca 0.68 -0.30 -0.28 0.00 0.48 0.00 0.00 55.95 56.53 3kdm s SER 124 Cb -0.23 -1.27 -0.13 0.00 0.10 0.00 0.00 66.02 64.48 3kdm s SER 124 CO 0.48 -0.19 1.12 0.41 0.98 0.00 0.00 173.24 176.04 3kdm n THR 125 N -1.32 2.00 -3.69 2.02 -1.04 -1.26 -4.72 114.28 106.28 3kdm n THR 125 Ca -0.05 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.05 61.35 3kdm n THR 125 Cb 0.58 -1.23 -0.12 0.00 -1.82 0.00 0.00 70.33 67.74 3kdm n THR 125 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3kdm s LYS 126 N -1.69 0.27 0.64 -2.82 2.20 0.15 -4.93 119.74 113.55 3kdm s LYS 126 Ca 0.57 0.76 -0.11 0.00 -0.36 0.00 0.00 55.97 56.83 3kdm s LYS 126 Cb -0.65 0.01 -0.03 0.00 -1.51 0.00 0.00 37.83 35.66 3kdm s LYS 126 CO 0.61 -0.21 1.04 0.20 -0.36 0.00 0.00 175.35 176.63 3kdm s GLY 127 N 1.84 1.65 0.51 5.54 0.00 -1.26 -0.38 107.32 115.22 3kdm s GLY 127 Ca -0.05 -0.12 -0.15 0.00 0.00 0.00 0.00 44.72 44.39 3kdm s GLY 127 CO -0.11 0.17 0.96 2.56 0.00 0.00 0.00 173.10 176.69 3kdm s PRO 128 N -5.20 3.90 -0.14 2.90 0.04 -1.26 -4.42 135.00 130.82 3kdm s PRO 128 Ca 0.56 0.88 -0.09 0.00 0.04 0.00 0.00 61.00 62.38 3kdm s PRO 128 Cb -0.11 -2.16 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 3kdm s PRO 128 CO 0.54 -0.26 0.17 -1.12 0.04 0.00 0.00 177.00 176.36 3kdm s SER 129 N -3.16 6.36 -0.22 6.66 0.01 -0.55 -4.92 113.70 117.88 3kdm s SER 129 Ca 0.58 0.43 -0.03 0.00 1.31 0.00 0.00 55.95 58.24 3kdm s SER 129 Cb -0.10 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 64.03 3kdm s SER 129 CO 0.33 0.30 -0.07 -0.69 0.41 0.00 0.00 173.24 173.52 3kdm s VAL 130 N -0.44 3.06 0.07 3.43 1.01 -1.26 -1.33 120.40 124.94 3kdm s VAL 130 Ca 0.13 -0.68 0.10 0.00 0.00 0.00 0.00 61.98 61.53 3kdm s VAL 130 Cb -0.12 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 3kdm s VAL 130 CO 0.03 0.39 -0.26 -0.36 0.00 0.00 0.00 175.10 174.90 3kdm s PHE 131 N 1.42 2.24 0.50 5.22 0.08 -0.44 -4.95 117.98 122.04 3kdm s PHE 131 Ca 0.04 -0.40 -0.19 0.00 0.12 0.00 0.00 56.93 56.50 3kdm s PHE 131 Cb -0.15 -1.30 -0.08 0.00 -0.57 0.00 0.00 43.02 40.93 3kdm s PHE 131 CO -0.05 0.18 1.04 -1.25 -0.10 0.00 0.00 175.22 175.04 3kdm s PRO 132 N -1.49 3.74 -0.53 0.24 0.05 -1.26 -0.21 135.00 135.54 3kdm s PRO 132 Ca 0.12 1.32 -0.04 0.00 0.05 0.00 0.00 61.00 62.45 3kdm s PRO 132 Cb -0.10 -2.09 0.14 0.00 0.05 0.00 0.00 34.50 32.50 3kdm s PRO 132 CO 0.03 -0.47 0.34 -0.51 0.05 0.00 0.00 177.00 176.44 3kdm s LEU 133 N -3.65 5.34 0.47 -3.56 1.43 0.22 -4.74 118.68 114.19 3kdm s LEU 133 Ca 0.66 -2.42 -0.20 0.00 -1.03 0.00 0.00 54.13 51.14 3kdm s LEU 133 Cb -0.16 -1.87 -0.09 0.00 0.03 0.00 0.00 46.19 44.10 3kdm s LEU 133 CO 0.23 -0.48 1.01 0.00 0.23 0.00 0.00 176.35 177.33 3kdm s ALA 134 N 0.58 2.93 0.24 4.21 0.00 -1.26 -0.63 121.76 127.82 3kdm s ALA 134 Ca 0.12 0.51 -0.31 0.00 0.00 0.00 0.00 51.96 52.28 3kdm s ALA 134 Cb -0.22 -3.21 -0.13 0.00 0.00 0.00 0.00 23.12 19.56 3kdm s ALA 134 CO -0.04 -0.19 1.46 -2.30 0.00 0.00 0.00 175.76 174.69 3kdm n PRO 135 N -0.94 2.15 -4.50 0.00 -0.02 -1.26 -4.81 135.00 125.62 3kdm n PRO 135 Ca 0.08 0.77 -0.22 0.00 -2.02 0.00 0.00 63.50 62.11 3kdm n PRO 135 Cb 0.53 -2.45 -0.16 0.00 -0.02 0.00 0.00 33.50 31.40 3kdm n PRO 135 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3kdm s SER 136 N 0.40 1.44 0.00 2.55 0.01 -1.26 -4.31 113.70 112.53 3kdm s SER 136 Ca 0.69 -0.23 0.13 0.00 1.31 0.00 0.00 55.95 57.85 3kdm s SER 136 Cb -0.63 -0.38 0.80 0.00 0.21 0.00 0.00 66.02 66.02 3kdm s SER 136 CO 0.48 0.09 1.35 -0.24 0.41 0.00 0.00 173.24 175.33 3kdm n SER 137 N 3.23 0.00 -2.25 2.44 2.88 -1.26 -3.57 113.62 115.09 3kdm n SER 137 Ca -0.18 -1.14 -0.30 0.00 -1.33 0.00 0.00 58.87 55.92 3kdm n SER 137 Cb 0.54 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.06 3kdm n SER 137 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 3kdm n LYS 138 N -0.77 2.46 0.00 -1.46 -0.00 -1.26 -4.35 118.16 112.78 3kdm n LYS 138 Ca 0.10 -2.84 0.00 0.00 -0.00 0.00 0.00 58.31 55.57 3kdm n LYS 138 Cb 0.05 -2.11 0.00 0.00 -0.00 0.00 0.00 35.03 32.96 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 -0.54 0.00 -4.42 -5.58 2.88 -1.23 -5.13 113.62 99.59 3kdm n SER 139 Ca 0.54 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.63 3kdm n SER 139 Cb 0.62 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.07 3kdm n SER 139 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3kdm s THR 140 N 0.00 5.18 0.00 2.46 -1.32 -1.26 -4.86 115.64 115.83 3kdm s THR 140 Ca 0.00 -2.44 -0.00 0.00 -1.21 0.00 0.00 61.69 58.04 3kdm s THR 140 Cb 0.00 -4.77 -0.01 0.00 -1.51 0.00 0.00 72.50 66.21 3kdm s THR 140 CO 0.00 -1.44 1.11 -0.24 -2.21 0.00 0.00 174.62 171.84 3kdm n SER 141 N 5.22 2.67 0.00 8.08 2.88 -1.16 -4.76 113.62 126.55 3kdm n SER 141 Ca 0.28 -1.73 0.00 0.00 -1.33 0.00 0.00 58.87 56.09 3kdm n SER 141 Cb 0.45 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 3kdm n SER 141 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kdm n GLY 142 N 1.85 0.40 0.00 0.46 0.00 -1.26 -2.39 105.19 104.25 3kdm n GLY 142 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.10 3.30 -0.02 0.00 -1.26 -4.79 105.19 102.51 3kdm n GLY 143 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.89 2.43 0.21 2.61 2.01 -1.01 -1.09 115.64 118.91 3kdm s THR 144 Ca 0.00 -0.90 0.09 0.00 0.31 0.00 0.00 61.69 61.19 3kdm s THR 144 Cb 0.00 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 3kdm s THR 144 CO 0.00 0.55 -0.07 0.00 -0.69 0.00 0.00 174.62 174.41 3kdm s ALA 145 N 0.15 3.01 0.05 7.40 0.00 0.69 -2.96 121.76 130.10 3kdm s ALA 145 Ca -0.11 -1.55 0.09 0.00 0.00 0.00 0.00 51.96 50.39 3kdm s ALA 145 Cb -0.16 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 3kdm s ALA 145 CO 0.06 0.39 -0.24 0.00 0.00 0.00 0.00 175.76 175.97 3kdm s ALA 146 N -1.94 2.06 0.35 0.00 0.00 -1.26 0.06 121.76 121.04 3kdm s ALA 146 Ca 0.27 -1.21 -0.06 0.00 0.00 0.00 0.00 51.96 50.97 3kdm s ALA 146 Cb -0.08 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.65 3kdm s ALA 146 CO 0.17 0.48 0.55 -0.48 0.00 0.00 0.00 175.76 176.48 3kdm s LEU 147 N -1.31 0.76 0.00 0.00 0.05 -0.67 -4.00 118.68 113.51 3kdm s LEU 147 Ca 0.10 -1.40 0.00 0.00 0.05 0.00 0.00 54.13 52.88 3kdm s LEU 147 Cb -0.10 1.82 0.00 0.00 -2.05 0.00 0.00 46.19 45.86 3kdm s LEU 147 CO 0.02 -1.40 0.00 0.61 -0.55 0.00 0.00 176.35 175.04 3kdm n GLY 148 N -0.56 0.72 2.91 -3.48 0.00 0.19 -1.10 105.19 103.88 3kdm n GLY 148 Ca -0.01 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.09 4.11 -0.58 0.00 2.96 0.70 -0.72 118.68 125.06 3kdm s LEU 150 Ca 0.00 0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 54.08 3kdm s LEU 150 Cb -0.01 -2.20 0.15 0.00 0.50 0.00 0.00 46.19 44.63 3kdm s LEU 150 CO -0.00 0.01 0.37 -0.69 -1.32 0.00 0.00 176.35 174.72 3kdm s VAL 151 N 1.24 3.42 -0.10 1.68 1.01 0.13 -1.33 120.40 126.45 3kdm s VAL 151 Ca 0.10 -2.92 -0.01 0.00 0.00 0.00 0.00 61.98 59.15 3kdm s VAL 151 Cb -0.14 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 3kdm s VAL 151 CO 0.06 -0.84 -0.04 -0.75 0.00 0.00 0.00 175.10 173.53 3kdm s LYS 152 N 0.04 3.13 -0.31 2.72 2.20 -0.44 -1.48 119.74 125.60 3kdm s LYS 152 Ca 0.16 -0.51 -0.00 0.00 -0.36 0.00 0.00 55.97 55.25 3kdm s LYS 152 Cb -0.21 -2.75 -0.00 0.00 -1.51 0.00 0.00 37.83 33.36 3kdm s LYS 152 CO -0.03 0.52 0.26 -0.25 -0.36 0.00 0.00 175.35 175.48 3kdm n ASP 153 N 2.69 -2.18 -4.47 1.43 8.00 0.07 -1.49 116.55 120.61 3kdm n ASP 153 Ca -0.18 -0.17 -0.24 0.00 0.71 0.00 0.00 54.79 54.92 3kdm n ASP 153 Cb 0.53 -1.71 -0.10 0.00 -0.02 0.00 0.00 41.12 39.82 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 -3.10 2.24 -0.28 1.24 -0.85 -0.79 -4.39 117.35 111.42 3kdm s TYR 154 Ca 0.02 -0.38 -0.22 0.00 -0.52 0.00 0.00 57.07 55.96 3kdm s TYR 154 Cb -0.00 -1.02 0.09 0.00 0.38 0.00 0.00 41.96 41.41 3kdm s TYR 154 CO 0.19 0.66 0.82 0.12 -1.52 0.00 0.00 175.55 175.81 3kdm s PHE 155 N -2.58 -0.75 0.00 -3.49 2.19 0.49 -0.92 117.98 112.92 3kdm s PHE 155 Ca 0.30 1.71 0.00 0.00 0.33 0.00 0.00 56.93 59.26 3kdm s PHE 155 Cb -0.03 0.37 0.00 0.00 -1.31 0.00 0.00 43.02 42.05 3kdm s PHE 155 CO 0.14 -0.36 0.00 -0.35 1.83 0.00 0.00 175.22 176.48 3kdm n PRO 156 N 2.99 0.50 -1.33 10.12 -0.04 -1.26 0.31 135.00 146.29 3kdm n PRO 156 Ca -0.15 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.00 3kdm n PRO 156 Cb 0.56 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.10 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 -2.33 2.40 0.38 0.54 0.41 -1.26 -4.74 118.70 114.11 3kdm s GLU 157 Ca 0.00 1.11 0.08 0.00 -0.41 0.00 0.00 54.97 55.75 3kdm s GLU 157 Cb 0.00 -1.92 -0.04 0.00 -1.78 0.00 0.00 34.13 30.40 3kdm s GLU 157 CO 0.00 -1.52 0.25 -1.25 -0.49 0.00 0.00 175.26 172.25 3kdm s PRO 158 N -4.94 2.45 0.06 0.39 0.04 -1.26 -4.99 135.00 126.75 3kdm s PRO 158 Ca 0.60 -1.57 0.09 0.00 0.04 0.00 0.00 61.00 60.17 3kdm s PRO 158 Cb -0.16 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 3kdm s PRO 158 CO 0.56 -0.04 -0.26 0.54 0.04 0.00 0.00 177.00 177.84 3kdm s VAL 159 N -2.46 2.12 -0.04 -0.36 0.11 -1.26 -4.47 120.40 114.04 3kdm s VAL 159 Ca 0.42 -1.45 0.06 0.00 -2.93 0.00 0.00 61.98 58.08 3kdm s VAL 159 Cb -0.02 -1.83 -0.02 0.00 -1.53 0.00 0.00 36.38 32.98 3kdm s VAL 159 CO 0.25 0.30 -0.20 0.42 -3.33 0.00 0.00 175.10 172.53 3kdm s THR 160 N -0.86 2.54 -0.06 5.04 -4.23 -0.69 -4.98 115.64 112.40 3kdm s THR 160 Ca 0.12 -0.92 0.04 0.00 -1.18 0.00 0.00 61.69 59.75 3kdm s THR 160 Cb -0.10 -1.95 -0.00 0.00 1.34 0.00 0.00 72.50 71.79 3kdm s THR 160 CO 0.03 0.58 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.81 3kdm s VAL 161 N -0.61 1.60 0.34 2.29 1.01 -1.26 -1.28 120.40 122.49 3kdm s VAL 161 Ca 0.09 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.31 3kdm s VAL 161 Cb -0.11 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 3kdm s VAL 161 CO 0.00 0.46 0.11 -0.94 0.00 0.00 0.00 175.10 174.73 3kdm s SER 162 N 0.10 2.18 -0.05 3.32 1.04 -0.48 -4.97 113.70 114.84 3kdm s SER 162 Ca -0.07 -1.52 0.04 0.00 0.48 0.00 0.00 55.95 54.88 3kdm s SER 162 Cb -0.13 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.25 3kdm s SER 162 CO 0.03 -0.80 -0.16 0.26 0.98 0.00 0.00 173.24 173.56 3kdm s TRP 163 N -3.40 1.67 -1.63 5.02 0.52 -1.26 -0.50 118.94 119.37 3kdm s TRP 163 Ca 0.32 -0.54 -0.10 0.00 0.02 0.00 0.00 56.10 55.80 3kdm s TRP 163 Cb 0.06 -1.16 0.09 0.00 -1.15 0.00 0.00 33.47 31.31 3kdm s TRP 163 CO 0.15 -0.22 0.42 0.09 0.02 0.00 0.00 176.95 177.41 3kdm n ASN 164 N 3.39 -0.99 -3.72 2.95 3.02 0.59 -1.14 115.26 119.36 3kdm n ASN 164 Ca -0.20 -1.15 -0.24 0.00 -0.03 0.00 0.00 54.58 52.96 3kdm n ASN 164 Cb 0.53 -2.21 0.05 0.00 -0.61 0.00 0.00 39.78 37.53 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 -2.76 -3.57 0.00 6.41 7.64 -1.26 -2.62 113.62 117.45 3kdm n SER 165 Ca -0.13 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.03 3kdm n SER 165 Cb 0.59 -4.33 0.00 0.00 -1.01 0.00 0.00 64.21 59.46 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 -1.64 1.27 0.17 0.23 0.00 -0.29 -4.91 105.19 100.02 3kdm n GLY 166 Ca -0.12 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 3kdm n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdm h ALA 167 N 0.00 0.80 -2.86 4.61 0.00 -1.32 -3.40 119.26 117.08 3kdm h ALA 167 Ca 0.00 -0.55 -0.71 0.00 0.00 0.00 0.00 54.91 53.65 3kdm h ALA 167 Cb 0.00 -0.08 -0.26 0.00 0.00 0.00 0.00 17.79 17.45 3kdm h ALA 167 CO 0.00 0.74 -0.52 -1.17 0.00 0.00 0.00 179.25 178.30 3kdm s LEU 168 N -7.93 4.72 0.00 0.00 2.96 -1.13 -4.86 118.68 112.43 3kdm s LEU 168 Ca -0.04 -1.10 0.00 0.00 -0.22 0.00 0.00 54.13 52.77 3kdm s LEU 168 Cb 0.12 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.81 3kdm s LEU 168 CO 0.81 -0.40 0.00 0.35 -1.32 0.00 0.00 176.35 175.79 3kdm n THR 169 N 4.96 0.00 -2.45 3.68 -2.24 -1.26 -4.22 114.28 112.75 3kdm n THR 169 Ca -0.12 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.25 3kdm n THR 169 Cb 0.45 -0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 68.16 3kdm n THR 169 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3kdm s SER 170 N -3.09 7.15 0.00 3.42 0.01 -1.26 -2.68 113.70 117.25 3kdm s SER 170 Ca 0.00 2.08 0.00 0.00 1.31 0.00 0.00 55.95 59.34 3kdm s SER 170 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 3kdm s SER 170 CO 0.00 -0.36 0.00 -1.20 0.41 0.00 0.00 173.24 172.09 3kdm n SER 171 N 3.07 -1.71 -4.71 2.44 7.64 -1.26 -4.86 113.62 114.23 3kdm n SER 171 Ca 0.06 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.54 3kdm n SER 171 Cb 0.46 -0.29 -0.05 0.00 -1.01 0.00 0.00 64.21 63.32 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 -2.34 5.08 -0.25 0.44 1.01 -1.09 -2.48 120.40 120.78 3kdm s VAL 172 Ca 0.00 1.26 0.02 0.00 0.00 0.00 0.00 61.98 63.26 3kdm s VAL 172 Cb 0.00 -3.96 0.06 0.00 0.00 0.00 0.00 36.38 32.48 3kdm s VAL 172 CO 0.00 0.25 -0.10 -1.00 0.00 0.00 0.00 175.10 174.25 3kdm s HIS 173 N 0.95 2.95 -0.40 5.22 3.76 -0.09 -4.98 115.29 122.69 3kdm s HIS 173 Ca 0.33 -2.10 -0.14 0.00 -0.15 0.00 0.00 55.06 52.99 3kdm s HIS 173 Cb -0.17 -1.81 0.02 0.00 1.11 0.00 0.00 32.58 31.73 3kdm s HIS 173 CO 0.14 -0.84 0.29 0.99 -0.85 0.00 0.00 174.74 174.47 3kdm s THR 174 N 1.21 5.19 0.36 1.30 2.01 -1.26 0.08 115.64 124.53 3kdm s THR 174 Ca -0.07 -0.65 -0.25 0.00 0.31 0.00 0.00 61.69 61.02 3kdm s THR 174 Cb -0.19 -3.88 -0.09 0.00 0.01 0.00 0.00 72.50 68.35 3kdm s THR 174 CO -0.06 -0.28 1.03 -0.36 -0.69 0.00 0.00 174.62 174.26 3kdm s PHE 175 N 1.67 3.44 0.26 4.92 0.40 -0.55 -4.96 117.98 123.15 3kdm s PHE 175 Ca 0.05 1.69 -0.29 0.00 -0.60 0.00 0.00 56.93 57.78 3kdm s PHE 175 Cb -0.19 -3.09 -0.14 0.00 0.51 0.00 0.00 43.02 40.10 3kdm s PHE 175 CO 0.10 -0.38 1.11 -2.30 0.70 0.00 0.00 175.22 174.45 3kdm n PRO 176 N 0.31 1.45 -1.95 0.24 -0.02 -1.26 -4.57 135.00 129.19 3kdm n PRO 176 Ca 0.03 0.51 -0.38 0.00 -2.02 0.00 0.00 63.50 61.64 3kdm n PRO 176 Cb 0.49 -1.96 0.02 0.00 -0.02 0.00 0.00 33.50 32.03 3kdm n PRO 176 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kdm s ALA 177 N -0.76 2.99 -0.04 3.55 0.00 -1.26 -4.84 121.76 121.40 3kdm s ALA 177 Ca 0.62 1.24 0.05 0.00 0.00 0.00 0.00 51.96 53.87 3kdm s ALA 177 Cb -0.72 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 18.88 3kdm s ALA 177 CO 0.57 -1.08 -0.20 0.08 0.00 0.00 0.00 175.76 175.14 3kdm s VAL 178 N -1.34 1.61 -0.17 0.00 1.01 -0.85 -4.96 120.40 115.71 3kdm s VAL 178 Ca 0.66 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 3kdm s VAL 178 Cb -0.38 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 3kdm s VAL 178 CO 0.46 0.46 1.26 -0.22 0.00 0.00 0.00 175.10 177.06 3kdm s LEU 179 N -0.18 4.17 0.81 3.92 2.96 -1.26 -1.67 118.68 127.44 3kdm s LEU 179 Ca 0.00 1.67 -0.11 0.00 -0.22 0.00 0.00 54.13 55.47 3kdm s LEU 179 Cb -0.11 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 43.12 3kdm s LEU 179 CO 0.01 -0.77 1.10 -1.10 -1.32 0.00 0.00 176.35 174.27 3kdm s GLN 180 N 3.53 1.96 0.00 1.98 -0.21 0.51 -4.92 119.66 122.50 3kdm s GLN 180 Ca 0.55 0.66 0.24 0.00 0.02 0.00 0.00 55.36 56.83 3kdm s GLN 180 Cb -0.21 -1.90 1.39 0.00 1.00 0.00 0.00 33.01 33.28 3kdm s GLN 180 CO 0.15 -1.72 1.78 -1.13 -2.12 0.00 0.00 175.29 172.25 3kdm n SER 181 N -3.50 0.00 0.17 5.90 3.41 -1.26 -0.90 113.62 117.44 3kdm n SER 181 Ca 0.07 -0.68 0.13 0.00 -0.26 0.00 0.00 58.87 58.13 3kdm n SER 181 Cb 0.56 -0.02 0.40 0.00 -0.26 0.00 0.00 64.21 64.89 3kdm n SER 181 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3kdm h SER 182 N 0.00 0.00 0.00 4.04 4.64 -2.02 -3.47 113.55 116.74 3kdm h SER 182 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kdm h SER 182 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 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 0.80 0.80 3.68 -0.77 0.00 -0.08 -5.05 105.19 104.58 3kdm n GLY 183 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 3.42 0.52 0.99 1.43 -1.26 -4.86 118.68 118.92 3kdm s LEU 184 Ca 0.00 -0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 52.76 3kdm s LEU 184 Cb 0.00 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 3kdm s LEU 184 CO 0.00 0.13 0.86 -0.31 0.23 0.00 0.00 176.35 177.26 3kdm s TYR 185 N -1.51 3.58 -0.08 0.29 2.02 -0.10 -0.36 117.35 121.19 3kdm s TYR 185 Ca 0.27 0.98 -0.19 0.00 -0.37 0.00 0.00 57.07 57.75 3kdm s TYR 185 Cb -0.11 -2.44 0.04 0.00 -0.40 0.00 0.00 41.96 39.05 3kdm s TYR 185 CO 0.19 -0.39 0.46 0.45 -1.57 0.00 0.00 175.55 174.68 3kdm s SER 186 N -4.06 -0.41 0.17 2.29 0.15 -0.67 -0.75 113.70 110.42 3kdm s SER 186 Ca 0.50 0.55 -0.17 0.00 0.70 0.00 0.00 55.95 57.53 3kdm s SER 186 Cb -0.10 0.60 0.03 0.00 -1.71 0.00 0.00 66.02 64.84 3kdm s SER 186 CO 0.47 -0.39 0.49 -1.48 1.20 0.00 0.00 173.24 173.53 3kdm s LEU 187 N -0.74 0.13 0.10 3.45 0.05 -0.55 -2.00 118.68 119.11 3kdm s LEU 187 Ca -0.08 -0.39 0.10 0.00 0.05 0.00 0.00 54.13 53.80 3kdm s LEU 187 Cb -0.03 2.08 -0.03 0.00 -2.05 0.00 0.00 46.19 46.15 3kdm s LEU 187 CO 0.04 -0.98 -0.25 -0.44 -0.55 0.00 0.00 176.35 174.17 3kdm s SER 188 N -2.84 3.05 -0.13 1.48 0.01 -1.26 0.23 113.70 114.24 3kdm s SER 188 Ca 0.07 -0.68 0.01 0.00 1.31 0.00 0.00 55.95 56.66 3kdm s SER 188 Cb -0.00 -0.22 -0.01 0.00 0.21 0.00 0.00 66.02 66.00 3kdm s SER 188 CO -0.06 0.17 -0.18 -0.55 0.41 0.00 0.00 173.24 173.03 3kdm s SER 189 N -1.75 3.57 0.38 2.44 0.15 0.10 -1.48 113.70 117.11 3kdm s SER 189 Ca 0.11 -0.45 0.08 0.00 0.70 0.00 0.00 55.95 56.39 3kdm s SER 189 Cb -0.10 -1.52 -0.07 0.00 -1.71 0.00 0.00 66.02 62.61 3kdm s SER 189 CO 0.04 0.14 -0.03 0.68 1.20 0.00 0.00 173.24 175.28 3kdm s VAL 190 N 0.49 2.05 -0.15 4.45 -7.23 0.11 -0.84 120.40 119.27 3kdm s VAL 190 Ca -0.12 -2.07 -0.16 0.00 -1.81 0.00 0.00 61.98 57.82 3kdm s VAL 190 Cb -0.16 -2.86 0.04 0.00 0.56 0.00 0.00 36.38 33.95 3kdm s VAL 190 CO 0.05 -0.07 0.44 0.54 -0.31 0.00 0.00 175.10 175.75 3kdm s VAL 191 N -2.70 0.00 -0.10 1.32 0.11 -0.25 -0.92 120.40 117.86 3kdm s VAL 191 Ca 0.34 -0.04 -0.04 0.00 -2.93 0.00 0.00 61.98 59.31 3kdm s VAL 191 Cb 0.07 -0.64 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 3kdm s VAL 191 CO 0.17 -0.02 0.06 0.42 -3.33 0.00 0.00 175.10 172.40 3kdm s THR 192 N 0.06 4.79 0.06 5.04 -4.23 -1.04 -1.67 115.64 118.67 3kdm s THR 192 Ca -0.01 -0.06 -0.08 0.00 -1.18 0.00 0.00 61.69 60.35 3kdm s THR 192 Cb -0.03 -3.05 -0.00 0.00 1.34 0.00 0.00 72.50 70.75 3kdm s THR 192 CO 0.01 0.61 0.17 0.68 -0.54 0.00 0.00 174.62 175.54 3kdm s VAL 193 N -0.89 0.14 0.43 2.29 -7.23 0.11 -4.81 120.40 110.44 3kdm s VAL 193 Ca 0.14 -1.12 -0.26 0.00 -1.81 0.00 0.00 61.98 58.93 3kdm s VAL 193 Cb -0.12 -1.15 -0.09 0.00 0.56 0.00 0.00 36.38 35.58 3kdm s VAL 193 CO 0.03 -0.62 1.45 -2.84 -0.31 0.00 0.00 175.10 172.81 3kdm s PRO 194 N -3.27 3.81 0.35 4.82 0.02 -1.26 0.25 135.00 139.72 3kdm s PRO 194 Ca 0.00 2.47 0.04 0.00 0.02 0.00 0.00 61.00 63.54 3kdm s PRO 194 Cb 0.02 -2.75 0.68 0.00 0.02 0.00 0.00 34.50 32.47 3kdm s PRO 194 CO -0.08 -0.74 1.97 0.77 -0.33 0.00 0.00 177.00 178.59 3kdm h SER 195 N 2.53 0.72 0.18 2.53 0.02 -1.39 -0.85 113.55 117.29 3kdm h SER 195 Ca -0.51 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.43 3kdm h SER 195 Cb 1.26 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 3kdm h SER 195 CO 0.62 0.48 -0.06 0.77 -1.14 0.00 0.00 176.83 177.51 3kdm h SER 196 N 0.83 0.00 1.15 3.07 4.64 -1.89 -2.06 113.55 119.30 3kdm h SER 196 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3kdm h SER 196 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3kdm h SER 196 CO -0.09 0.06 -0.10 -1.54 -0.87 0.00 0.00 176.83 174.28 3kdm n SER 197 N -3.71 0.46 0.25 4.97 3.41 -0.32 -3.58 113.62 115.10 3kdm n SER 197 Ca -0.02 0.44 0.13 0.00 -0.26 0.00 0.00 58.87 59.16 3kdm n SER 197 Cb 0.16 -0.50 0.61 0.00 -0.26 0.00 0.00 64.21 64.21 3kdm n SER 197 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3kdm h LEU 198 N 0.00 0.00 -0.16 1.04 3.38 -1.43 0.30 115.31 118.44 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 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3kdm h LEU 198 CO 0.00 0.12 -0.64 0.61 0.09 0.00 0.00 178.44 178.63 3kdm n GLY 199 N -0.08 -0.96 0.00 0.83 0.00 -1.24 -4.46 105.19 99.29 3kdm n GLY 199 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.25 0.00 -4.15 2.61 -2.24 -0.61 -5.03 114.28 103.61 3kdm n THR 200 Ca 0.06 -0.26 -0.19 0.00 -2.27 0.00 0.00 64.05 61.39 3kdm n THR 200 Cb 0.35 0.77 -0.16 0.00 -2.10 0.00 0.00 70.33 69.18 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 -1.34 0.74 0.26 -0.78 2.00 0.96 -5.08 119.66 116.42 3kdm s GLN 201 Ca 0.00 -0.10 -0.20 0.00 -2.00 0.00 0.00 55.36 53.06 3kdm s GLN 201 Cb 0.00 -0.76 -0.09 0.00 0.80 0.00 0.00 33.01 32.97 3kdm s GLN 201 CO 0.00 -0.06 0.77 0.95 -0.50 0.00 0.00 175.29 176.44 3kdm s THR 202 N 0.81 4.52 -0.17 -0.34 -4.23 -1.26 -4.62 115.64 110.35 3kdm s THR 202 Ca -0.10 1.33 0.01 0.00 -1.18 0.00 0.00 61.69 61.74 3kdm s THR 202 Cb -0.13 -3.84 0.03 0.00 1.34 0.00 0.00 72.50 69.90 3kdm s THR 202 CO 0.00 0.13 -0.14 -0.31 -0.54 0.00 0.00 174.62 173.76 3kdm s TYR 203 N -1.62 2.36 -0.08 3.99 2.02 -1.26 -4.96 117.35 117.80 3kdm s TYR 203 Ca 0.46 -1.41 0.00 0.00 -0.37 0.00 0.00 57.07 55.75 3kdm s TYR 203 Cb -0.16 -1.67 0.02 0.00 -0.40 0.00 0.00 41.96 39.75 3kdm s TYR 203 CO 0.21 -0.72 -0.06 0.42 -1.57 0.00 0.00 175.55 173.83 3kdm s ILE 204 N 1.42 0.81 0.04 2.71 1.01 -1.26 -0.18 121.20 125.76 3kdm s ILE 204 Ca 0.03 -0.20 -0.16 0.00 0.00 0.00 0.00 60.65 60.32 3kdm s ILE 204 Cb -0.14 -0.84 -0.06 0.00 0.01 0.00 0.00 42.46 41.43 3kdm s ILE 204 CO -0.10 0.32 0.47 0.00 0.00 0.00 0.00 174.94 175.62 3kdm s ASN 206 N -1.16 4.88 -0.09 0.00 -0.87 0.35 -0.58 114.94 117.47 3kdm s ASN 206 Ca 0.27 -1.02 -0.00 0.00 -1.57 0.00 0.00 52.86 50.54 3kdm s ASN 206 Cb -0.17 -1.77 -0.03 0.00 -0.02 0.00 0.00 41.25 39.26 3kdm s ASN 206 CO 0.16 -0.22 -0.08 -0.69 -2.57 0.00 0.00 177.10 173.69 3kdm s VAL 207 N 1.36 3.57 -0.07 1.60 1.01 0.23 -1.38 120.40 126.72 3kdm s VAL 207 Ca -0.01 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 3kdm s VAL 207 Cb -0.18 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.75 3kdm s VAL 207 CO -0.00 0.56 0.04 0.21 0.00 0.00 0.00 175.10 175.91 3kdm s ASN 208 N -0.37 1.53 -0.71 3.32 3.84 -0.41 -0.57 114.94 121.59 3kdm s ASN 208 Ca 0.05 -0.11 0.02 0.00 0.21 0.00 0.00 52.86 53.03 3kdm s ASN 208 Cb -0.12 -0.28 0.17 0.00 -0.55 0.00 0.00 41.25 40.47 3kdm s ASN 208 CO 0.02 -0.25 0.52 -2.28 -2.79 0.00 0.00 177.10 172.32 3kdm s HIS 209 N 2.08 3.56 0.31 0.43 5.65 0.75 -1.71 115.29 126.37 3kdm s HIS 209 Ca 0.04 -3.14 0.03 0.00 0.25 0.00 0.00 55.06 52.25 3kdm s HIS 209 Cb -0.13 -2.95 0.62 0.00 -1.18 0.00 0.00 32.58 28.95 3kdm s HIS 209 CO -0.05 -0.68 1.88 0.87 -0.65 0.00 0.00 174.74 176.11 3kdm h LYS 210 N 6.01 0.89 -0.40 2.88 1.57 -1.80 -1.15 116.57 124.58 3kdm h LYS 210 Ca 0.08 -0.05 0.12 0.00 -1.87 0.00 0.00 60.65 58.92 3kdm h LYS 210 Cb 0.83 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 3kdm h LYS 210 CO 0.75 0.59 0.36 -1.35 -0.57 0.00 0.00 179.45 179.23 3kdm h PRO 211 N 0.92 0.00 -0.18 3.15 0.11 -1.93 -2.08 132.00 131.98 3kdm h PRO 211 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 3kdm h PRO 211 Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.54 3kdm h PRO 211 CO -0.20 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.46 3kdm n SER 212 N -3.97 2.61 -4.10 -2.05 3.41 -0.45 -4.96 113.62 104.10 3kdm n SER 212 Ca 0.07 -2.15 -0.32 0.00 -0.26 0.00 0.00 58.87 56.20 3kdm n SER 212 Cb 0.55 -0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 64.30 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 -0.09 -2.59 -4.44 4.04 3.02 -0.78 -4.81 115.26 109.61 3kdm n ASN 213 Ca 0.08 -0.98 -0.40 0.00 -0.03 0.00 0.00 54.58 53.25 3kdm n ASN 213 Cb 0.41 -3.01 -0.11 0.00 -0.61 0.00 0.00 39.78 36.46 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 -3.50 4.80 -0.09 3.41 2.01 -1.10 -5.01 115.64 116.17 3kdm s THR 214 Ca 0.50 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 61.96 3kdm s THR 214 Cb -0.27 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 3kdm s THR 214 CO 0.90 -0.10 -0.17 -0.75 -0.69 0.00 0.00 174.62 173.81 3kdm s LYS 215 N 1.62 2.89 -0.13 4.92 2.20 -1.26 -0.18 119.74 129.81 3kdm s LYS 215 Ca 0.04 -0.76 -0.08 0.00 -0.36 0.00 0.00 55.97 54.81 3kdm s LYS 215 Cb -0.18 -2.41 0.05 0.00 -1.51 0.00 0.00 37.83 33.77 3kdm s LYS 215 CO 0.08 0.37 0.32 0.08 -0.36 0.00 0.00 175.35 175.83 3kdm s VAL 216 N -0.09 -0.02 -0.20 4.02 1.01 0.26 -5.00 120.40 120.37 3kdm s VAL 216 Ca -0.03 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 3kdm s VAL 216 Cb -0.14 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.77 3kdm s VAL 216 CO 0.04 0.04 -0.10 -1.81 0.00 0.00 0.00 175.10 173.26 3kdm s ASP 217 N 0.97 3.88 -0.04 3.32 1.01 -1.26 0.75 116.67 125.31 3kdm s ASP 217 Ca -0.07 -0.48 0.07 0.00 0.71 0.00 0.00 52.55 52.78 3kdm s ASP 217 Cb -0.07 -1.64 -0.02 0.00 1.01 0.00 0.00 42.92 42.20 3kdm s ASP 217 CO -0.07 -0.01 -0.24 -0.54 0.21 0.00 0.00 175.17 174.52 3kdm s LYS 218 N 1.37 2.39 -0.09 8.23 -0.14 0.26 -4.94 119.74 126.82 3kdm s LYS 218 Ca 0.05 -0.89 -0.21 0.00 -1.36 0.00 0.00 55.97 53.55 3kdm s LYS 218 Cb -0.14 -2.14 -0.04 0.00 -1.68 0.00 0.00 37.83 33.83 3kdm s LYS 218 CO -0.06 0.47 0.60 0.21 -0.76 0.00 0.00 175.35 175.81 3kdm s LYS 219 N -0.38 4.40 -0.35 1.68 2.20 -1.26 -0.23 119.74 125.79 3kdm s LYS 219 Ca 0.03 0.69 -0.10 0.00 -0.36 0.00 0.00 55.97 56.23 3kdm s LYS 219 Cb -0.12 -3.44 0.02 0.00 -1.51 0.00 0.00 37.83 32.78 3kdm s LYS 219 CO 0.02 0.11 0.18 0.00 -0.36 0.00 0.00 175.35 175.29 3kdm s ALA 220 N 0.72 3.25 0.07 3.13 0.00 0.75 -4.75 121.76 124.93 3kdm s ALA 220 Ca 0.32 -1.62 -0.06 0.00 0.00 0.00 0.00 51.96 50.60 3kdm s ALA 220 Cb -0.17 -2.49 -0.01 0.00 0.00 0.00 0.00 23.12 20.45 3kdm s ALA 220 CO 0.15 -1.23 0.11 -1.83 0.00 0.00 0.00 175.76 172.95 3kdm s GLU 221 N 1.55 0.75 0.98 0.00 -1.05 -1.26 -4.41 118.70 115.26 3kdm s GLU 221 Ca 0.02 -1.03 -0.24 0.00 -0.15 0.00 0.00 54.97 53.57 3kdm s GLU 221 Cb -0.19 0.29 -0.18 0.00 -0.44 0.00 0.00 34.13 33.61 3kdm s GLU 221 CO 0.06 -0.21 -1.32 -2.30 0.95 0.00 0.00 175.26 172.44 3kdm n PRO 222 N 0.06 0.00 0.00 -4.83 -0.02 -1.26 -4.07 135.00 124.87 3kdm n PRO 222 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 3kdm n PRO 222 Cb 0.62 -0.98 0.00 0.00 -0.02 0.00 0.00 33.50 33.11 3kdm n PRO 222 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65