#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kfa s MET 3 N 0.00 1.37 -0.13 5.55 1.75 0.95 -4.98 119.30 123.83 1kfa s MET 3 Ca 0.00 -0.33 0.02 0.00 -1.25 0.00 0.00 55.69 54.13 1kfa s MET 3 Cb 0.00 -1.72 0.01 0.00 2.84 0.00 0.00 34.83 35.96 1kfa s MET 3 CO 0.00 -0.35 -0.20 -0.51 -0.65 0.00 0.00 175.02 173.31 1kfa s LEU 4 N 1.71 1.98 -0.16 4.11 1.43 -1.26 -1.12 118.68 125.37 1kfa s LEU 4 Ca 0.03 -0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 52.58 1kfa s LEU 4 Cb -0.14 -1.32 0.05 0.00 0.03 0.00 0.00 46.19 44.80 1kfa s LEU 4 CO -0.08 0.07 -0.03 -0.69 0.23 0.00 0.00 176.35 175.85 1kfa s VAL 5 N 0.82 0.91 0.52 -1.59 1.01 -0.67 -3.25 120.40 118.16 1kfa s VAL 5 Ca -0.08 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 1kfa s VAL 5 Cb -0.16 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1kfa s VAL 5 CO -0.01 0.05 0.87 -1.61 0.00 0.00 0.00 175.10 174.40 1kfa s GLU 6 N 1.71 3.58 0.22 2.72 8.01 -1.26 -1.46 118.70 132.23 1kfa s GLU 6 Ca 0.00 0.41 -0.22 0.00 0.01 0.00 0.00 54.97 55.17 1kfa s GLU 6 Cb -0.15 -2.28 0.04 0.00 -4.31 0.00 0.00 34.13 27.43 1kfa s GLU 6 CO -0.07 -0.32 0.71 -1.54 0.01 0.00 0.00 175.26 174.05 1kfa s SER 7 N -4.06 -0.35 0.00 -0.19 1.04 -0.06 -4.75 113.70 105.33 1kfa s SER 7 Ca 0.50 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1kfa s SER 7 Cb -0.11 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1kfa s SER 7 CO 0.47 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 174.12 1kfa n GLY 8 N -0.43 0.71 3.71 7.32 0.00 -1.26 -1.34 105.19 113.90 1kfa n GLY 8 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1kfa n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kfa s GLY 9 N -1.49 2.40 0.00 -0.02 0.00 -1.26 -4.77 107.32 102.18 1kfa s GLY 9 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 44.72 45.69 1kfa s GLY 9 CO 0.00 1.40 0.00 0.61 0.00 0.00 0.00 173.10 175.11 1kfa n GLY 10 N 0.63 0.81 3.40 0.20 0.00 -0.37 -4.88 105.19 104.99 1kfa n GLY 10 Ca 0.14 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 1kfa n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kfa s LEU 11 N 0.00 3.17 0.07 0.99 2.96 -1.26 -0.24 118.68 124.37 1kfa s LEU 11 Ca 0.00 -0.26 0.07 0.00 -0.22 0.00 0.00 54.13 53.72 1kfa s LEU 11 Cb 0.00 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 1kfa s LEU 11 CO 0.00 0.02 -0.20 0.68 -1.32 0.00 0.00 176.35 175.54 1kfa s VAL 12 N 1.24 1.58 0.51 1.68 -7.23 0.46 -4.97 120.40 113.66 1kfa s VAL 12 Ca 0.03 -1.34 -0.16 0.00 -1.81 0.00 0.00 61.98 58.70 1kfa s VAL 12 Cb -0.15 -1.42 -0.08 0.00 0.56 0.00 0.00 36.38 35.30 1kfa s VAL 12 CO 0.01 0.03 0.97 -0.54 -0.31 0.00 0.00 175.10 175.26 1kfa s LYS 13 N -1.55 3.95 0.27 4.82 1.02 -1.25 -0.28 119.74 126.72 1kfa s LYS 13 Ca 0.06 0.93 -0.30 0.00 0.02 0.00 0.00 55.97 56.68 1kfa s LYS 13 Cb -0.09 -2.15 -0.13 0.00 -0.52 0.00 0.00 37.83 34.93 1kfa s LYS 13 CO 0.03 -0.25 1.25 -2.30 -0.92 0.00 0.00 175.35 173.16 1kfa n PRO 14 N -1.54 1.80 -0.16 -1.68 -0.02 -1.26 -0.61 135.00 131.52 1kfa n PRO 14 Ca 0.06 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1kfa n PRO 14 Cb 0.54 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1kfa n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kfa n GLY 15 N 1.51 1.22 3.93 -1.23 0.00 0.89 -4.94 105.19 106.57 1kfa n GLY 15 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1kfa n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kfa s GLY 16 N -1.83 1.70 0.13 -0.02 0.00 0.22 -3.99 107.32 103.53 1kfa s GLY 16 Ca 0.00 -1.03 0.09 0.00 0.00 0.00 0.00 44.72 43.78 1kfa s GLY 16 CO 0.00 -0.51 -0.21 -1.35 0.00 0.00 0.00 173.10 171.02 1kfa s SER 17 N -4.64 2.80 -0.02 1.64 1.04 -1.26 -1.74 113.70 111.53 1kfa s SER 17 Ca 0.64 -0.77 -0.07 0.00 0.48 0.00 0.00 55.95 56.24 1kfa s SER 17 Cb -0.09 -0.17 0.01 0.00 0.10 0.00 0.00 66.02 65.87 1kfa s SER 17 CO 0.47 0.06 0.15 -0.22 0.98 0.00 0.00 173.24 174.68 1kfa s LEU 18 N -2.23 1.47 -0.27 2.42 2.96 0.71 -4.98 118.68 118.75 1kfa s LEU 18 Ca 0.12 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.04 1kfa s LEU 18 Cb -0.09 0.66 0.07 0.00 0.50 0.00 0.00 46.19 47.33 1kfa s LEU 18 CO 0.06 -0.27 -0.07 -0.75 -1.32 0.00 0.00 176.35 174.00 1kfa s LYS 19 N -0.90 2.00 0.23 1.98 2.20 -1.26 0.00 119.74 124.00 1kfa s LYS 19 Ca -0.10 -1.37 -0.07 0.00 -0.36 0.00 0.00 55.97 54.07 1kfa s LYS 19 Cb -0.05 -2.88 -0.06 0.00 -1.51 0.00 0.00 37.83 33.32 1kfa s LYS 19 CO 0.01 -0.64 0.52 -0.51 -0.36 0.00 0.00 175.35 174.37 1kfa s LEU 20 N 1.12 4.15 0.14 5.43 1.02 0.24 -4.72 118.68 126.05 1kfa s LEU 20 Ca -0.05 0.80 0.07 0.00 0.02 0.00 0.00 54.13 54.97 1kfa s LEU 20 Cb -0.20 -3.58 -0.04 0.00 0.02 0.00 0.00 46.19 42.40 1kfa s LEU 20 CO -0.06 -0.09 -0.17 -0.44 0.02 0.00 0.00 176.35 175.62 1kfa s SER 21 N -2.61 2.33 -0.21 2.29 0.01 -0.45 -1.28 113.70 113.79 1kfa s SER 21 Ca 0.45 -0.81 -0.04 0.00 1.31 0.00 0.00 55.95 56.86 1kfa s SER 21 Cb -0.11 -0.11 0.07 0.00 0.21 0.00 0.00 66.02 66.08 1kfa s SER 21 CO 0.24 -0.07 0.09 0.00 0.41 0.00 0.00 173.24 173.91 1kfa s ALA 23 N 2.07 3.27 0.13 0.00 0.00 -0.54 -0.30 121.76 126.40 1kfa s ALA 23 Ca 0.04 0.39 0.10 0.00 0.00 0.00 0.00 51.96 52.49 1kfa s ALA 23 Cb -0.16 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1kfa s ALA 23 CO -0.17 -0.09 -0.20 0.00 0.00 0.00 0.00 175.76 175.31 1kfa s ALA 24 N 0.51 2.63 0.16 0.00 0.00 -0.68 -1.67 121.76 122.70 1kfa s ALA 24 Ca 0.44 -1.42 -0.23 0.00 0.00 0.00 0.00 51.96 50.76 1kfa s ALA 24 Cb -0.21 -0.56 0.07 0.00 0.00 0.00 0.00 23.12 22.42 1kfa s ALA 24 CO 0.25 0.55 0.59 -1.54 0.00 0.00 0.00 175.76 175.61 1kfa s SER 25 N -2.25 -0.55 0.00 0.00 1.04 -0.27 -4.91 113.70 106.75 1kfa s SER 25 Ca 0.18 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.59 1kfa s SER 25 Cb -0.10 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1kfa s SER 25 CO 0.10 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.96 1kfa n GLY 26 N -0.37 0.75 3.51 7.32 0.00 -1.26 -0.03 105.19 115.10 1kfa n GLY 26 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1kfa n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1kfa s PHE 27 N -2.86 -0.38 -0.89 1.61 -0.71 -1.26 -4.16 117.98 109.33 1kfa s PHE 27 Ca 0.00 0.19 -0.25 0.00 -1.04 0.00 0.00 56.93 55.84 1kfa s PHE 27 Cb 0.00 0.56 -0.06 0.00 -1.21 0.00 0.00 43.02 42.32 1kfa s PHE 27 CO 0.00 -0.69 1.99 0.99 -1.34 0.00 0.00 175.22 176.17 1kfa s THR 28 N -3.36 3.41 0.27 -4.49 2.01 -1.26 -4.81 115.64 107.41 1kfa s THR 28 Ca 0.05 -0.34 -0.00 0.00 0.31 0.00 0.00 61.69 61.70 1kfa s THR 28 Cb -0.01 -3.92 0.25 0.00 0.01 0.00 0.00 72.50 68.83 1kfa s THR 28 CO -0.09 -0.86 1.76 0.15 -0.69 0.00 0.00 174.62 174.89 1kfa h PHE 29 N 11.41 0.76 0.00 4.92 3.57 -1.96 -2.38 116.94 133.26 1kfa h PHE 29 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1kfa h PHE 29 Cb 1.00 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.54 1kfa h PHE 29 CO 1.21 0.16 0.00 0.66 -2.23 0.00 0.00 178.31 178.11 1kfa h SER 30 N 0.60 0.00 -1.27 0.41 4.64 -1.89 -3.06 113.55 112.99 1kfa h SER 30 Ca 0.47 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 61.12 1kfa h SER 30 Cb 0.70 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.47 1kfa h SER 30 CO -0.38 0.00 0.54 -1.54 -0.87 0.00 0.00 176.83 174.58 1kfa n SER 31 N -2.78 7.00 -3.74 4.97 3.41 -0.89 -4.83 113.62 116.76 1kfa n SER 31 Ca -0.00 -3.79 -0.13 0.00 -0.26 0.00 0.00 58.87 54.68 1kfa n SER 31 Cb 0.18 -0.86 -0.10 0.00 -0.26 0.00 0.00 64.21 63.17 1kfa n SER 31 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1kfa s TYR 32 N -3.84 -0.41 0.37 7.33 1.51 -1.16 -4.94 117.35 116.21 1kfa s TYR 32 Ca 0.58 0.99 -0.20 0.00 -1.01 0.00 0.00 57.07 57.43 1kfa s TYR 32 Cb 0.47 0.15 -0.10 0.00 -0.11 0.00 0.00 41.96 42.36 1kfa s TYR 32 CO -0.13 -0.23 0.87 0.00 -1.11 0.00 0.00 175.55 174.96 1kfa s ALA 33 N 0.05 3.17 0.27 3.71 0.00 -1.26 -4.49 121.76 123.20 1kfa s ALA 33 Ca -0.01 0.31 0.08 0.00 0.00 0.00 0.00 51.96 52.33 1kfa s ALA 33 Cb -0.03 -3.03 -0.05 0.00 0.00 0.00 0.00 23.12 20.01 1kfa s ALA 33 CO 0.01 0.21 -0.10 -1.64 0.00 0.00 0.00 175.76 174.24 1kfa s MET 34 N -2.85 1.53 0.19 0.00 1.00 -0.94 -1.03 119.30 117.19 1kfa s MET 34 Ca 0.57 -1.75 -0.09 0.00 0.00 0.00 0.00 55.69 54.41 1kfa s MET 34 Cb -0.11 -1.26 -0.01 0.00 0.00 0.00 0.00 34.83 33.45 1kfa s MET 34 CO 0.16 0.11 0.32 -1.12 0.00 0.00 0.00 175.02 174.50 1kfa s SER 35 N -3.43 0.01 -0.08 3.03 0.01 0.16 -1.31 113.70 112.08 1kfa s SER 35 Ca 0.28 -0.91 0.04 0.00 1.31 0.00 0.00 55.95 56.67 1kfa s SER 35 Cb 0.02 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.72 1kfa s SER 35 CO 0.11 -0.95 -0.21 0.26 0.41 0.00 0.00 173.24 172.87 1kfa s TRP 36 N -3.99 2.22 0.00 2.43 0.52 0.34 -0.17 118.94 120.29 1kfa s TRP 36 Ca 0.20 -0.85 0.03 0.00 0.02 0.00 0.00 56.10 55.50 1kfa s TRP 36 Cb 0.03 -1.50 -0.01 0.00 -1.15 0.00 0.00 33.47 30.84 1kfa s TRP 36 CO 0.03 -0.34 -0.09 0.08 0.02 0.00 0.00 176.95 176.64 1kfa s VAL 37 N 0.33 0.71 0.03 4.03 1.01 -0.52 0.03 120.40 126.02 1kfa s VAL 37 Ca -0.15 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.41 1kfa s VAL 37 Cb -0.16 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 1kfa s VAL 37 CO 0.07 0.12 -0.22 0.00 0.00 0.00 0.00 175.10 175.07 1kfa s ARG 38 N -0.42 1.99 -0.24 2.72 1.70 -0.72 -0.14 118.95 123.82 1kfa s ARG 38 Ca 0.02 -1.02 -0.07 0.00 -0.47 0.00 0.00 55.73 54.19 1kfa s ARG 38 Cb -0.04 -2.11 -0.03 0.00 -0.57 0.00 0.00 34.95 32.20 1kfa s ARG 38 CO -0.00 0.53 0.06 -1.14 -1.08 0.00 0.00 175.30 173.67 1kfa s GLN 39 N -1.28 3.62 0.77 3.89 0.74 0.18 -0.71 119.66 126.88 1kfa s GLN 39 Ca 0.13 -0.49 -0.11 0.00 0.05 0.00 0.00 55.36 54.94 1kfa s GLN 39 Cb -0.10 -3.29 0.06 0.00 1.10 0.00 0.00 33.01 30.78 1kfa s GLN 39 CO 0.03 -0.18 1.08 0.95 -0.55 0.00 0.00 175.29 176.62 1kfa s THR 40 N 1.59 3.38 0.50 -0.34 -4.23 0.53 -1.36 115.64 115.71 1kfa s THR 40 Ca 0.06 0.45 0.17 0.00 -1.18 0.00 0.00 61.69 61.19 1kfa s THR 40 Cb -0.15 -3.07 0.30 0.00 1.34 0.00 0.00 72.50 70.92 1kfa s THR 40 CO 0.03 -0.59 2.10 -0.65 -0.54 0.00 0.00 174.62 174.97 1kfa h PRO 41 N -1.06 0.08 0.00 3.99 0.11 -1.90 1.16 132.00 134.38 1kfa h PRO 41 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1kfa h PRO 41 Cb 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1kfa h PRO 41 CO 0.55 0.06 0.00 0.39 -0.21 0.00 0.00 178.00 178.79 1kfa n GLU 42 N -4.50 0.63 -1.13 1.05 4.71 -1.26 -4.84 120.64 115.30 1kfa n GLU 42 Ca 0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.12 1kfa n GLU 42 Cb 0.21 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.12 1kfa n GLU 42 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1kfa n ARG 43 N -1.00 -0.41 -3.01 3.49 5.12 0.40 -5.03 116.66 116.22 1kfa n ARG 43 Ca 0.15 0.60 -0.40 0.00 -1.93 0.00 0.00 57.85 56.27 1kfa n ARG 43 Cb 0.07 -4.27 -0.05 0.00 -1.16 0.00 0.00 32.46 27.04 1kfa n ARG 43 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1kfa s ARG 44 N -2.14 4.49 -0.16 5.56 0.52 -1.24 -4.72 118.95 121.26 1kfa s ARG 44 Ca 0.00 1.06 -0.18 0.00 -0.52 0.00 0.00 55.73 56.09 1kfa s ARG 44 Cb 0.00 -3.32 -0.04 0.00 0.52 0.00 0.00 34.95 32.11 1kfa s ARG 44 CO 0.00 0.40 0.48 -0.51 0.02 0.00 0.00 175.30 175.69 1kfa s LEU 45 N -0.45 4.21 -0.14 2.53 1.43 -1.26 -0.34 118.68 124.65 1kfa s LEU 45 Ca 0.37 0.72 -0.02 0.00 -1.03 0.00 0.00 54.13 54.17 1kfa s LEU 45 Cb -0.21 -2.67 0.04 0.00 0.03 0.00 0.00 46.19 43.38 1kfa s LEU 45 CO 0.24 -0.08 0.00 -1.61 0.23 0.00 0.00 176.35 175.13 1kfa s GLU 46 N 1.11 0.79 0.50 1.70 2.02 0.11 -4.96 118.70 119.96 1kfa s GLU 46 Ca 0.24 -0.22 -0.22 0.00 0.02 0.00 0.00 54.97 54.79 1kfa s GLU 46 Cb -0.15 -1.63 -0.08 0.00 0.10 0.00 0.00 34.13 32.37 1kfa s GLU 46 CO 0.10 -0.46 1.13 1.87 0.02 0.00 0.00 175.26 177.91 1kfa n TRP 47 N 5.06 1.52 0.00 1.61 -0.00 -1.26 -1.76 117.44 122.61 1kfa n TRP 47 Ca -0.09 0.48 0.00 0.00 -0.00 0.00 0.00 57.50 57.90 1kfa n TRP 47 Cb 0.48 -2.27 0.00 0.00 -0.00 0.00 0.00 31.31 29.53 1kfa n TRP 47 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1kfa n VAL 48 N -0.87 0.00 0.00 5.87 0.31 0.10 -4.86 118.33 118.88 1kfa n VAL 48 Ca 0.10 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1kfa n VAL 48 Cb 0.43 0.51 0.00 0.00 -0.91 0.00 0.00 33.84 33.86 1kfa n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1kfa n ALA 49 N -0.36 0.00 -3.31 3.52 0.00 -1.13 -4.54 120.51 114.69 1kfa n ALA 49 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1kfa n ALA 49 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1kfa n ALA 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1kfa s THR 50 N -2.00 -0.00 -0.00 0.00 2.01 -1.07 -0.50 115.64 114.08 1kfa s THR 50 Ca 0.00 0.01 0.08 0.00 0.31 0.00 0.00 61.69 62.09 1kfa s THR 50 Cb 0.00 -0.53 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 1kfa s THR 50 CO 0.00 0.00 -0.25 -0.51 -0.69 0.00 0.00 174.62 173.17 1kfa s ILE 51 N 0.33 2.14 0.54 1.82 2.07 -0.43 -2.35 121.20 125.31 1kfa s ILE 51 Ca -0.01 -1.17 -0.05 0.00 -1.41 0.00 0.00 60.65 58.01 1kfa s ILE 51 Cb -0.03 -1.77 -0.01 0.00 0.13 0.00 0.00 42.46 40.78 1kfa s ILE 51 CO -0.01 0.52 0.83 -0.89 -1.91 0.00 0.00 174.94 173.48 1kfa s THR 52 N -0.68 4.09 0.20 4.00 2.01 0.12 -2.21 115.64 123.18 1kfa s THR 52 Ca 0.11 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.00 1kfa s THR 52 Cb -0.10 -3.59 0.12 0.00 0.01 0.00 0.00 72.50 68.94 1kfa s THR 52 CO 0.00 -0.57 1.78 0.74 -0.69 0.00 0.00 174.62 175.88 1kfa h THR 53 N 0.02 0.90 -0.19 -0.82 2.02 -1.88 -1.05 112.91 111.91 1kfa h THR 53 Ca -0.46 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.54 1kfa h THR 53 Cb 1.24 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1kfa h THR 53 CO 0.60 0.10 0.00 0.54 0.37 0.00 0.00 175.52 177.13 1kfa n ARG 55 N -4.89 1.54 -0.14 6.66 1.74 -1.26 -4.90 116.66 115.42 1kfa n ARG 55 Ca 0.07 -0.83 0.00 0.00 -0.77 0.00 0.00 57.85 56.32 1kfa n ARG 55 Cb 0.20 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 1kfa n ARG 55 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kfa n GLY 56 N 0.96 0.61 3.75 -0.13 0.00 -0.40 -5.05 105.19 104.92 1kfa n GLY 56 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1kfa n GLY 56 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1kfa s TYR 57 N -2.34 2.29 -0.01 1.61 5.04 -1.26 -4.62 117.35 118.06 1kfa s TYR 57 Ca 0.00 1.43 0.03 0.00 -2.44 0.00 0.00 57.07 56.08 1kfa s TYR 57 Cb 0.00 -3.71 -0.01 0.00 0.35 0.00 0.00 41.96 38.59 1kfa s TYR 57 CO 0.00 -2.73 -0.09 0.99 -1.34 0.00 0.00 175.55 172.38 1kfa s THR 58 N -1.37 0.73 0.04 4.34 2.01 -1.26 0.16 115.64 120.28 1kfa s THR 58 Ca 0.74 -0.39 -0.13 0.00 0.31 0.00 0.00 61.69 62.22 1kfa s THR 58 Cb -0.38 -0.62 0.02 0.00 0.01 0.00 0.00 72.50 71.53 1kfa s THR 58 CO 0.43 0.21 0.29 0.72 -0.69 0.00 0.00 174.62 175.58 1kfa s PHE 59 N -0.18 -0.09 0.28 4.92 -0.12 -0.99 -5.05 117.98 116.76 1kfa s PHE 59 Ca 0.03 -0.03 -0.12 0.00 -0.05 0.00 0.00 56.93 56.76 1kfa s PHE 59 Cb -0.04 0.08 0.00 0.00 -0.63 0.00 0.00 43.02 42.43 1kfa s PHE 59 CO -0.00 -0.48 0.53 0.71 -0.05 0.00 0.00 175.22 175.92 1kfa s TYR 60 N -2.42 0.43 0.28 3.49 1.51 -1.26 -2.59 117.35 116.78 1kfa s TYR 60 Ca -0.06 -0.80 -0.13 0.00 -1.01 0.00 0.00 57.07 55.06 1kfa s TYR 60 Cb -0.01 0.24 -0.08 0.00 -0.11 0.00 0.00 41.96 42.00 1kfa s TYR 60 CO -0.03 -1.10 0.67 -1.25 -1.11 0.00 0.00 175.55 172.73 1kfa s PRO 61 N -3.66 3.95 0.37 -1.71 0.04 -1.26 -4.93 135.00 127.79 1kfa s PRO 61 Ca 0.22 0.54 0.13 0.00 0.04 0.00 0.00 61.00 61.94 1kfa s PRO 61 Cb -0.01 -2.54 0.96 0.00 0.04 0.00 0.00 34.50 32.94 1kfa s PRO 61 CO 0.11 0.23 1.81 -0.44 0.04 0.00 0.00 177.00 178.75 1kfa h ASP 62 N 2.46 0.56 0.00 6.66 3.32 -1.99 -0.97 116.42 126.46 1kfa h ASP 62 Ca -0.48 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1kfa h ASP 62 Cb 1.17 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1kfa h ASP 62 CO 0.67 0.19 0.07 -1.54 -1.72 0.00 0.00 179.24 176.91 1kfa n SER 63 N -4.62 0.18 0.00 6.45 3.41 -1.26 -2.24 113.62 115.54 1kfa n SER 63 Ca 0.22 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.37 1kfa n SER 63 Cb 0.68 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1kfa n SER 63 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1kfa n VAL 64 N -1.71 0.00 -1.61 -3.33 0.31 -0.39 -5.04 118.33 106.56 1kfa n VAL 64 Ca -0.00 -0.17 -0.47 0.00 -0.01 0.00 0.00 64.34 63.69 1kfa n VAL 64 Cb 0.08 0.65 -0.03 0.00 -0.91 0.00 0.00 33.84 33.63 1kfa n VAL 64 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1kfa n LYS 65 N -1.09 1.46 -0.91 5.55 5.02 -0.95 -1.42 118.16 125.81 1kfa n LYS 65 Ca 0.00 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 1kfa n LYS 65 Cb 0.00 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 32.94 1kfa n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kfa n GLY 66 N 2.03 0.84 0.00 0.72 0.00 -1.26 -4.81 105.19 102.71 1kfa n GLY 66 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1kfa n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kfa n ARG 67 N -2.26 1.15 -4.14 1.61 1.74 -0.51 -4.95 116.66 109.30 1kfa n ARG 67 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1kfa n ARG 67 Cb 0.00 -0.86 -0.08 0.00 -1.02 0.00 0.00 32.46 30.50 1kfa n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1kfa s PHE 68 N -1.72 2.96 -0.16 -1.55 0.40 -1.10 -0.35 117.98 116.46 1kfa s PHE 68 Ca 0.00 -0.06 -0.04 0.00 -0.60 0.00 0.00 56.93 56.23 1kfa s PHE 68 Cb 0.00 -1.49 0.07 0.00 0.51 0.00 0.00 43.02 42.11 1kfa s PHE 68 CO 0.00 0.49 0.16 0.99 0.70 0.00 0.00 175.22 177.56 1kfa s THR 69 N -1.45 -0.22 0.50 0.64 2.01 -0.27 -4.92 115.64 111.93 1kfa s THR 69 Ca 0.26 0.01 -0.14 0.00 0.31 0.00 0.00 61.69 62.13 1kfa s THR 69 Cb -0.11 -0.53 -0.07 0.00 0.01 0.00 0.00 72.50 71.80 1kfa s THR 69 CO 0.19 -0.13 0.93 -0.69 -0.69 0.00 0.00 174.62 174.22 1kfa s VAL 70 N 2.25 4.64 0.06 3.82 1.01 -1.26 -1.81 120.40 129.10 1kfa s VAL 70 Ca 0.04 0.97 -0.27 0.00 0.00 0.00 0.00 61.98 62.72 1kfa s VAL 70 Cb -0.15 -3.75 0.09 0.00 0.00 0.00 0.00 36.38 32.57 1kfa s VAL 70 CO -0.09 -0.72 0.77 -0.94 0.00 0.00 0.00 175.10 174.11 1kfa s SER 71 N -3.30 -0.46 0.01 3.32 1.04 -0.84 -4.97 113.70 108.50 1kfa s SER 71 Ca 0.56 0.03 0.01 0.00 0.48 0.00 0.00 55.95 57.04 1kfa s SER 71 Cb -0.10 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.48 1kfa s SER 71 CO 0.35 -0.75 -0.05 0.00 0.98 0.00 0.00 173.24 173.77 1kfa s ARG 72 N -3.26 0.38 -0.75 4.02 1.70 -1.26 0.46 118.95 120.24 1kfa s ARG 72 Ca 0.03 -0.32 0.01 0.00 -0.47 0.00 0.00 55.73 54.98 1kfa s ARG 72 Cb -0.01 -0.28 0.18 0.00 -0.57 0.00 0.00 34.95 34.27 1kfa s ARG 72 CO -0.10 0.07 0.57 0.34 -1.08 0.00 0.00 175.30 175.11 1kfa s ASP 73 N -0.54 5.29 0.28 -2.89 -1.08 0.11 -4.97 116.67 112.87 1kfa s ASP 73 Ca -0.02 -3.58 0.01 0.00 -0.52 0.00 0.00 52.55 48.43 1kfa s ASP 73 Cb -0.04 -1.77 0.60 0.00 -1.46 0.00 0.00 42.92 40.25 1kfa s ASP 73 CO -0.00 -0.18 1.76 0.78 0.52 0.00 0.00 175.17 178.05 1kfa h ASN 74 N 5.97 0.58 -0.33 -0.34 -0.26 -1.95 0.49 115.58 119.75 1kfa h ASN 74 Ca 0.11 0.10 0.02 0.00 -0.56 0.00 0.00 56.30 55.96 1kfa h ASN 74 Cb 0.82 0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 38.06 1kfa h ASN 74 CO 0.77 0.22 0.18 0.00 -1.06 0.00 0.00 177.43 177.53 1kfa h ALA 75 N 1.59 0.40 -0.04 -0.83 0.00 -1.97 -1.58 119.26 116.84 1kfa h ALA 75 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1kfa h ALA 75 Cb 0.75 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1kfa h ALA 75 CO -0.38 -0.19 0.00 0.54 0.00 0.00 0.00 179.25 179.22 1kfa n ARG 76 N -4.92 1.51 -3.67 0.00 1.74 -0.60 -4.93 116.66 105.78 1kfa n ARG 76 Ca -0.00 -0.75 -0.23 0.00 -0.77 0.00 0.00 57.85 56.10 1kfa n ARG 76 Cb 0.06 -1.46 0.05 0.00 -1.02 0.00 0.00 32.46 30.09 1kfa n ARG 76 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1kfa n ASN 77 N -0.08 -3.09 -4.11 0.55 4.13 0.16 -4.83 115.26 107.99 1kfa n ASN 77 Ca 0.19 -0.72 -0.26 0.00 1.68 0.00 0.00 54.58 55.47 1kfa n ASN 77 Cb 0.29 -4.42 -0.16 0.00 -1.54 0.00 0.00 39.78 33.94 1kfa n ASN 77 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1kfa s THR 78 N -3.46 1.41 -0.09 3.41 2.01 -0.50 -1.68 115.64 116.74 1kfa s THR 78 Ca 0.26 -0.68 -0.11 0.00 0.31 0.00 0.00 61.69 61.46 1kfa s THR 78 Cb -0.12 -1.23 -0.05 0.00 0.01 0.00 0.00 72.50 71.11 1kfa s THR 78 CO 0.78 0.41 0.27 -0.22 -0.69 0.00 0.00 174.62 175.18 1kfa s LEU 79 N 0.22 4.38 0.18 4.42 0.20 0.59 0.08 118.68 128.75 1kfa s LEU 79 Ca -0.08 0.65 0.09 0.00 0.69 0.00 0.00 54.13 55.48 1kfa s LEU 79 Cb -0.13 -2.33 -0.04 0.00 -0.43 0.00 0.00 46.19 43.26 1kfa s LEU 79 CO 0.03 0.30 -0.19 0.20 -0.29 0.00 0.00 176.35 176.40 1kfa s ASN 80 N -0.66 2.86 -0.23 3.68 0.01 0.17 0.37 114.94 121.15 1kfa s ASN 80 Ca 0.18 -0.89 -0.03 0.00 -0.71 0.00 0.00 52.86 51.40 1kfa s ASN 80 Cb -0.14 -0.18 0.10 0.00 0.41 0.00 0.00 41.25 41.44 1kfa s ASN 80 CO 0.07 -0.02 0.21 -0.22 -1.51 0.00 0.00 177.10 175.64 1kfa s LEU 81 N -2.81 -0.03 -0.22 0.60 2.96 -0.40 -1.98 118.68 116.80 1kfa s LEU 81 Ca 0.18 -0.47 -0.15 0.00 -0.22 0.00 0.00 54.13 53.47 1kfa s LEU 81 Cb -0.05 0.28 -0.04 0.00 0.50 0.00 0.00 46.19 46.87 1kfa s LEU 81 CO 0.08 -0.35 0.38 -1.58 -1.32 0.00 0.00 176.35 173.56 1kfa s GLN 82 N 2.29 4.13 -0.13 1.98 2.00 -0.75 -0.59 119.66 128.58 1kfa s GLN 82 Ca 0.07 0.14 0.03 0.00 -2.00 0.00 0.00 55.36 53.60 1kfa s GLN 82 Cb -0.15 -3.57 0.01 0.00 0.80 0.00 0.00 33.01 30.10 1kfa s GLN 82 CO -0.18 -0.10 -0.22 -1.64 -0.50 0.00 0.00 175.29 172.64 1kfa s MET 83 N 1.51 3.00 0.37 1.67 -1.94 0.10 -1.11 119.30 122.90 1kfa s MET 83 Ca 0.17 -0.85 0.08 0.00 -1.71 0.00 0.00 55.69 53.38 1kfa s MET 83 Cb -0.15 -2.40 -0.07 0.00 2.01 0.00 0.00 34.83 34.22 1kfa s MET 83 CO 0.08 0.01 -0.03 -1.12 -0.01 0.00 0.00 175.02 173.95 1kfa s SER 84 N 0.75 3.69 -1.52 3.03 0.01 0.52 -0.21 113.70 119.98 1kfa s SER 84 Ca -0.09 -1.29 -0.04 0.00 1.31 0.00 0.00 55.95 55.84 1kfa s SER 84 Cb -0.16 -0.35 0.04 0.00 0.21 0.00 0.00 66.02 65.76 1kfa s SER 84 CO -0.00 -0.35 0.38 -1.20 0.41 0.00 0.00 173.24 172.48 1kfa n SER 85 N -0.86 -0.57 -4.76 2.44 7.64 -1.16 -4.73 113.62 111.62 1kfa n SER 85 Ca -0.05 -1.09 -0.39 0.00 1.01 0.00 0.00 58.87 58.35 1kfa n SER 85 Cb 0.65 -2.56 0.02 0.00 -1.01 0.00 0.00 64.21 61.31 1kfa n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1kfa s LEU 86 N -7.14 4.04 0.02 -3.43 1.43 -0.71 -4.66 118.68 108.23 1kfa s LEU 86 Ca 0.17 2.74 0.07 0.00 -1.03 0.00 0.00 54.13 56.07 1kfa s LEU 86 Cb -0.09 -4.08 -0.02 0.00 0.03 0.00 0.00 46.19 42.03 1kfa s LEU 86 CO 0.93 -1.20 -0.19 -0.13 0.23 0.00 0.00 176.35 175.98 1kfa s ARG 87 N -2.58 1.40 0.30 1.70 0.52 -1.26 -0.08 118.95 118.96 1kfa s ARG 87 Ca 0.64 -0.82 0.11 0.00 -0.52 0.00 0.00 55.73 55.14 1kfa s ARG 87 Cb -0.40 -1.45 0.96 0.00 0.52 0.00 0.00 34.95 34.59 1kfa s ARG 87 CO 0.49 0.38 1.36 0.45 0.02 0.00 0.00 175.30 178.00 1kfa n SER 88 N 2.15 0.14 0.00 0.23 2.88 -1.26 0.14 113.62 117.89 1kfa n SER 88 Ca -0.16 1.45 0.04 0.00 -1.33 0.00 0.00 58.87 58.87 1kfa n SER 88 Cb 0.53 -0.63 0.23 0.00 -0.75 0.00 0.00 64.21 63.60 1kfa n SER 88 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1kfa n GLU 89 N -5.08 0.66 0.07 -1.46 0.00 -1.26 -2.71 120.64 110.86 1kfa n GLU 89 Ca 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 57.16 57.43 1kfa n GLU 89 Cb 0.93 -1.19 -0.05 0.00 0.00 0.00 0.00 31.44 31.13 1kfa n GLU 89 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1kfa h ASP 90 N 0.00 0.00 -1.73 -1.84 3.32 0.85 -3.47 116.42 113.55 1kfa h ASP 90 Ca 0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 1kfa h ASP 90 Cb 0.00 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.60 1kfa h ASP 90 CO 0.00 0.62 0.57 0.35 -1.72 0.00 0.00 179.24 179.06 1kfa n THR 91 N -3.06 0.06 -3.75 0.35 -2.24 -1.10 -4.90 114.28 99.64 1kfa n THR 91 Ca -0.05 -0.01 0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1kfa n THR 91 Cb 0.83 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 1kfa n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kfa s ALA 92 N 1.06 -2.47 -0.23 6.98 0.00 -0.89 -4.52 121.76 121.71 1kfa s ALA 92 Ca 0.86 0.55 -0.22 0.00 0.00 0.00 0.00 51.96 53.15 1kfa s ALA 92 Cb -0.94 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 1kfa s ALA 92 CO 0.49 -1.10 0.69 1.41 0.00 0.00 0.00 175.76 177.24 1kfa s MET 93 N -2.13 4.17 -0.22 0.00 -2.45 -0.47 -2.44 119.30 115.76 1kfa s MET 93 Ca 0.21 0.69 -0.09 0.00 -1.25 0.00 0.00 55.69 55.24 1kfa s MET 93 Cb 0.04 -3.62 -0.05 0.00 1.25 0.00 0.00 34.83 32.45 1kfa s MET 93 CO -0.04 -0.37 0.12 -0.06 1.05 0.00 0.00 175.02 175.72 1kfa s PHE 94 N 2.36 3.29 0.13 4.11 0.40 -0.25 0.52 117.98 128.53 1kfa s PHE 94 Ca 0.30 0.13 0.09 0.00 -0.60 0.00 0.00 56.93 56.85 1kfa s PHE 94 Cb -0.16 -2.20 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 1kfa s PHE 94 CO 0.09 0.07 -0.19 0.71 0.70 0.00 0.00 175.22 176.61 1kfa s TYR 95 N 0.84 2.49 -0.07 0.36 1.51 0.80 -0.96 117.35 122.33 1kfa s TYR 95 Ca 0.06 -0.28 -0.02 0.00 -1.01 0.00 0.00 57.07 55.82 1kfa s TYR 95 Cb -0.13 -1.31 -0.04 0.00 -0.11 0.00 0.00 41.96 40.38 1kfa s TYR 95 CO 0.03 0.40 0.04 0.00 -1.11 0.00 0.00 175.55 174.91 1kfa s THR 97 N -0.99 1.42 -0.06 0.00 -4.23 0.76 -1.85 115.64 110.69 1kfa s THR 97 Ca 0.16 -2.10 0.01 0.00 -1.18 0.00 0.00 61.69 58.58 1kfa s THR 97 Cb -0.12 -1.91 -0.03 0.00 1.34 0.00 0.00 72.50 71.79 1kfa s THR 97 CO 0.06 -0.66 -0.09 -0.60 -0.54 0.00 0.00 174.62 172.79 1kfa s ARG 98 N -3.63 2.70 -1.16 3.99 3.52 -0.84 -0.67 118.95 122.85 1kfa s ARG 98 Ca 0.19 -0.58 -0.16 0.00 -0.13 0.00 0.00 55.73 55.05 1kfa s ARG 98 Cb 0.01 -2.54 0.15 0.00 -1.56 0.00 0.00 34.95 31.00 1kfa s ARG 98 CO 0.03 0.65 1.42 -1.21 -0.81 0.00 0.00 175.30 175.38 1kfa s GLU 99 N -0.78 3.97 0.52 5.12 0.41 -0.20 0.11 118.70 127.85 1kfa s GLU 99 Ca 0.12 -2.31 0.31 0.00 -0.41 0.00 0.00 54.97 52.68 1kfa s GLU 99 Cb -0.11 -5.11 1.21 0.00 -1.78 0.00 0.00 34.13 28.34 1kfa s GLU 99 CO 0.01 -1.85 1.93 0.78 -0.49 0.00 0.00 175.26 175.64 1kfa h GLY 100 N 10.32 0.00 -6.32 -1.39 0.00 -1.74 -3.38 103.07 100.56 1kfa h GLY 100 Ca 0.30 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.97 1kfa h GLY 100 CO 1.25 0.00 2.51 1.04 0.00 0.00 0.00 176.54 181.34 1kfa n LEU 101 N -3.16 4.77 0.00 3.11 4.77 -1.26 -4.86 117.00 120.37 1kfa n LEU 101 Ca 0.01 -3.18 0.00 0.00 -0.03 0.00 0.00 56.01 52.81 1kfa n LEU 101 Cb 0.35 -1.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 1kfa n LEU 101 CO 0.29 0.02 0.00 -0.11 -1.33 0.00 0.00 177.39 176.26 1kfa n LEU 102 N 7.02 0.00 -2.08 2.23 7.94 -1.26 -0.15 117.00 130.70 1kfa n LEU 102 Ca 0.50 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 55.16 1kfa n LEU 102 Cb 0.39 0.00 0.10 0.00 0.53 0.00 0.00 43.42 44.44 1kfa n LEU 102 CO 1.00 0.00 1.26 0.18 -1.11 0.00 0.00 177.39 178.71 1kfa n LEU 103 N -0.30 6.66 -3.20 -1.96 4.77 -1.26 -4.79 117.00 116.92 1kfa n LEU 103 Ca 0.00 -3.57 0.00 0.00 -0.03 0.00 0.00 56.01 52.41 1kfa n LEU 103 Cb 0.00 -0.90 -0.02 0.00 -2.33 0.00 0.00 43.42 40.17 1kfa n LEU 103 CO 0.00 1.17 0.08 -0.62 -1.33 0.00 0.00 177.39 176.69 1kfa s ASP 104 N -0.97 -0.96 0.00 -1.43 2.15 0.79 -5.16 116.67 111.09 1kfa s ASP 104 Ca 0.49 0.39 0.00 0.00 0.43 0.00 0.00 52.55 53.86 1kfa s ASP 104 Cb 0.40 1.82 0.00 0.00 -0.30 0.00 0.00 42.92 44.83 1kfa s ASP 104 CO 0.04 -0.29 0.00 0.00 -0.17 0.00 0.00 175.17 174.75 1kfa n TYR 105 N 5.41 0.00 -2.10 -5.34 4.19 -1.26 -4.58 117.16 113.47 1kfa n TYR 105 Ca 0.01 0.00 -0.39 0.00 3.31 0.00 0.00 57.90 60.83 1kfa n TYR 105 Cb 0.52 0.00 -0.00 0.00 0.49 0.00 0.00 39.34 40.34 1kfa n TYR 105 CO 0.00 0.00 0.00 -0.06 0.91 0.00 0.00 176.86 177.71 1kfa s PHE 106 N -1.01 2.83 0.00 2.98 0.40 -1.26 -4.49 117.98 117.42 1kfa s PHE 106 Ca 0.00 1.45 0.00 0.00 -0.60 0.00 0.00 56.93 57.78 1kfa s PHE 106 Cb 0.00 -3.59 0.00 0.00 0.51 0.00 0.00 43.02 39.94 1kfa s PHE 106 CO 0.00 -1.93 0.00 2.41 0.70 0.00 0.00 175.22 176.40 1kfa n THR 107 N -0.07 0.00 -3.13 0.64 -1.04 -1.26 -5.01 114.28 104.40 1kfa n THR 107 Ca 0.05 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.66 1kfa n THR 107 Cb 0.45 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.89 1kfa n THR 107 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1kfa s MET 108 N -0.31 4.12 0.00 -2.82 -1.94 -1.26 -2.30 119.30 114.79 1kfa s MET 108 Ca 0.00 0.52 0.00 0.00 -1.71 0.00 0.00 55.69 54.50 1kfa s MET 108 Cb 0.00 -3.64 0.00 0.00 2.01 0.00 0.00 34.83 33.20 1kfa s MET 108 CO 0.00 -0.38 0.11 -3.47 -0.01 0.00 0.00 175.02 171.27 1kfa n ASP 109 N 5.59 0.00 -4.71 3.03 -0.08 0.30 -4.87 116.55 115.81 1kfa n ASP 109 Ca -0.01 0.11 -0.28 0.00 -1.51 0.00 0.00 54.79 53.09 1kfa n ASP 109 Cb 0.49 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.88 1kfa n ASP 109 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1kfa s TYR 110 N -0.22 3.00 0.17 -0.67 2.02 -1.26 -4.94 117.35 115.45 1kfa s TYR 110 Ca 0.00 -0.04 0.11 0.00 -0.37 0.00 0.00 57.07 56.76 1kfa s TYR 110 Cb 0.00 -1.50 -0.04 0.00 -0.40 0.00 0.00 41.96 40.02 1kfa s TYR 110 CO 0.00 0.50 -0.21 -1.58 -1.57 0.00 0.00 175.55 172.69 1kfa s TRP 111 N -1.51 2.39 0.00 2.71 0.52 -1.26 -1.99 118.94 119.80 1kfa s TRP 111 Ca 0.27 -0.33 0.00 0.00 0.02 0.00 0.00 56.10 56.07 1kfa s TRP 111 Cb -0.11 -1.21 0.00 0.00 -1.15 0.00 0.00 33.47 31.00 1kfa s TRP 111 CO 0.20 0.45 0.00 0.41 0.02 0.00 0.00 176.95 178.03 1kfa n GLY 112 N 0.43 -0.06 0.17 0.98 0.00 -0.77 -4.72 105.19 101.23 1kfa n GLY 112 Ca -0.14 -1.82 0.05 0.00 0.00 0.00 0.00 46.02 44.11 1kfa n GLY 112 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1kfa h GLN 113 N 0.00 0.00 0.00 1.61 3.07 -1.90 -3.47 115.11 114.42 1kfa h GLN 113 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1kfa h GLN 113 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1kfa h GLN 113 CO 0.00 0.38 0.00 0.41 0.09 0.00 0.00 178.83 179.71 1kfa n GLY 114 N 0.87 0.18 2.96 0.06 0.00 -1.26 -5.00 105.19 103.00 1kfa n GLY 114 Ca 0.02 -1.53 -0.22 0.00 0.00 0.00 0.00 46.02 44.28 1kfa n GLY 114 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1kfa s THR 115 N -2.48 0.84 0.08 2.61 -1.32 -0.13 -4.71 115.64 110.53 1kfa s THR 115 Ca 0.00 -0.31 -0.25 0.00 -1.21 0.00 0.00 61.69 59.91 1kfa s THR 115 Cb 0.00 -0.80 -0.06 0.00 -1.51 0.00 0.00 72.50 70.13 1kfa s THR 115 CO 0.00 0.29 0.78 -0.55 -2.21 0.00 0.00 174.62 172.93 1kfa s SER 116 N 0.73 7.27 -0.04 8.08 0.15 -1.26 -1.09 113.70 127.54 1kfa s SER 116 Ca -0.13 1.52 -0.01 0.00 0.70 0.00 0.00 55.95 58.03 1kfa s SER 116 Cb -0.15 -2.48 0.03 0.00 -1.71 0.00 0.00 66.02 61.71 1kfa s SER 116 CO 0.02 0.06 0.03 0.68 1.20 0.00 0.00 173.24 175.23 1kfa s VAL 117 N -0.34 0.09 -0.15 4.45 -7.23 -1.02 -1.24 120.40 114.96 1kfa s VAL 117 Ca 0.38 0.23 -0.01 0.00 -1.81 0.00 0.00 61.98 60.78 1kfa s VAL 117 Cb -0.21 -0.26 -0.01 0.00 0.56 0.00 0.00 36.38 36.45 1kfa s VAL 117 CO 0.24 0.18 -0.11 -0.89 -0.31 0.00 0.00 175.10 174.20 1kfa s THR 118 N 1.64 3.11 -0.28 5.32 2.01 0.66 -2.09 115.64 126.01 1kfa s THR 118 Ca -0.01 -0.63 -0.07 0.00 0.31 0.00 0.00 61.69 61.29 1kfa s THR 118 Cb -0.13 -2.32 -0.00 0.00 0.01 0.00 0.00 72.50 70.06 1kfa s THR 118 CO -0.03 0.51 0.07 -0.69 -0.69 0.00 0.00 174.62 173.79 1kfa s VAL 119 N 0.56 4.00 0.15 3.82 1.01 -1.25 -0.40 120.40 128.28 1kfa s VAL 119 Ca -0.07 -0.57 -0.25 0.00 0.00 0.00 0.00 61.98 61.09 1kfa s VAL 119 Cb -0.15 -3.01 0.06 0.00 0.00 0.00 0.00 36.38 33.28 1kfa s VAL 119 CO 0.03 0.16 0.89 -0.55 0.00 0.00 0.00 175.10 175.63 1kfa s SER 120 N 1.52 -0.24 0.10 3.32 0.15 0.61 -4.46 113.70 114.71 1kfa s SER 120 Ca 0.04 -0.35 0.22 0.00 0.70 0.00 0.00 55.95 56.56 1kfa s SER 120 Cb -0.17 0.51 -0.11 0.00 -1.71 0.00 0.00 66.02 64.55 1kfa s SER 120 CO 0.02 -0.93 0.85 -1.20 1.20 0.00 0.00 173.24 173.18 1kfa n SER 121 N -0.43 0.52 -4.67 5.45 7.64 -1.26 -3.80 113.62 117.07 1kfa n SER 121 Ca -0.07 0.12 -0.39 0.00 1.01 0.00 0.00 58.87 59.54 1kfa n SER 121 Cb 0.61 1.03 0.03 0.00 -1.01 0.00 0.00 64.21 64.87 1kfa n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kfa n ALA 127 N -2.15 0.88 -2.59 -0.43 0.00 -1.26 -4.96 120.51 109.99 1kfa n ALA 127 Ca -0.01 0.15 -0.36 0.00 0.00 0.00 0.00 53.44 53.21 1kfa n ALA 127 Cb 0.54 -2.22 -0.06 0.00 0.00 0.00 0.00 19.45 17.71 1kfa n ALA 127 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1kfa s LYS 128 N -2.52 3.78 0.24 0.00 2.36 -1.26 -5.03 119.74 117.31 1kfa s LYS 128 Ca 0.68 0.23 -0.31 0.00 -2.55 0.00 0.00 55.97 54.02 1kfa s LYS 128 Cb -0.47 -3.13 -0.13 0.00 -1.05 0.00 0.00 37.83 33.06 1kfa s LYS 128 CO 0.52 0.65 1.57 -2.37 1.55 0.00 0.00 175.35 177.28 1kfa n THR 129 N 1.46 0.61 -4.31 3.43 5.66 -1.26 -4.77 114.28 115.10 1kfa n THR 129 Ca -0.12 -0.15 -0.21 0.00 -3.05 0.00 0.00 64.05 60.52 1kfa n THR 129 Cb 0.53 -1.77 -0.16 0.00 -1.55 0.00 0.00 70.33 67.38 1kfa n THR 129 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1kfa s THR 130 N 0.39 0.72 0.74 1.09 2.01 0.32 -4.90 115.64 116.00 1kfa s THR 130 Ca 0.70 -0.26 -0.14 0.00 0.31 0.00 0.00 61.69 62.31 1kfa s THR 130 Cb -0.57 -0.69 0.04 0.00 0.01 0.00 0.00 72.50 71.29 1kfa s THR 130 CO 0.43 0.26 1.15 -2.84 -0.69 0.00 0.00 174.62 172.93 1kfa s PRO 131 N 0.68 2.21 0.41 4.92 0.02 -1.26 -1.02 135.00 140.96 1kfa s PRO 131 Ca -0.11 1.53 -0.01 0.00 0.02 0.00 0.00 61.00 62.43 1kfa s PRO 131 Cb -0.13 -1.87 -0.03 0.00 0.02 0.00 0.00 34.50 32.49 1kfa s PRO 131 CO 0.01 -1.73 0.65 -1.25 -0.33 0.00 0.00 177.00 174.35 1kfa s PRO 132 N -4.20 3.39 -0.14 5.54 0.04 -1.26 -4.23 135.00 134.13 1kfa s PRO 132 Ca 0.69 -0.22 -0.01 0.00 0.04 0.00 0.00 61.00 61.51 1kfa s PRO 132 Cb -0.24 -2.55 -0.01 0.00 0.04 0.00 0.00 34.50 31.74 1kfa s PRO 132 CO 0.47 -0.06 -0.12 -1.12 0.04 0.00 0.00 177.00 176.20 1kfa s SER 133 N -4.10 3.99 -0.35 6.66 0.01 -0.52 -4.93 113.70 114.45 1kfa s SER 133 Ca 0.44 -0.36 -0.07 0.00 1.31 0.00 0.00 55.95 57.28 1kfa s SER 133 Cb -0.10 -1.62 0.04 0.00 0.21 0.00 0.00 66.02 64.56 1kfa s SER 133 CO 0.39 0.13 0.12 -0.69 0.41 0.00 0.00 173.24 173.60 1kfa s VAL 134 N 0.56 3.82 -0.10 3.43 1.01 -1.26 -1.75 120.40 126.11 1kfa s VAL 134 Ca -0.08 -1.16 -0.02 0.00 0.00 0.00 0.00 61.98 60.72 1kfa s VAL 134 Cb -0.16 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1kfa s VAL 134 CO 0.03 -0.21 0.00 -0.31 0.00 0.00 0.00 175.10 174.62 1kfa s TYR 135 N 1.40 3.16 0.48 5.22 2.02 -0.26 -4.93 117.35 124.44 1kfa s TYR 135 Ca -0.01 0.16 -0.20 0.00 -0.37 0.00 0.00 57.07 56.65 1kfa s TYR 135 Cb -0.20 -1.81 -0.09 0.00 -0.40 0.00 0.00 41.96 39.46 1kfa s TYR 135 CO 0.03 0.43 1.01 -2.14 -1.57 0.00 0.00 175.55 173.31 1kfa s PRO 136 N -0.75 3.90 -0.34 -1.71 0.02 -1.26 -0.17 135.00 134.69 1kfa s PRO 136 Ca 0.12 1.27 0.02 0.00 0.02 0.00 0.00 61.00 62.42 1kfa s PRO 136 Cb -0.12 -2.12 0.10 0.00 0.02 0.00 0.00 34.50 32.39 1kfa s PRO 136 CO 0.02 -0.33 0.10 -0.51 -0.33 0.00 0.00 177.00 175.95 1kfa s LEU 137 N -3.49 3.43 0.14 -5.54 1.43 -0.32 -4.83 118.68 109.52 1kfa s LEU 137 Ca 0.65 -2.01 0.10 0.00 -1.03 0.00 0.00 54.13 51.85 1kfa s LEU 137 Cb -0.14 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 1kfa s LEU 137 CO 0.19 -0.38 -0.23 0.00 0.23 0.00 0.00 176.35 176.16 1kfa s ALA 138 N 1.12 2.22 0.00 4.21 0.00 -1.26 -1.06 121.76 126.99 1kfa s ALA 138 Ca 0.11 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.61 1kfa s ALA 138 Cb -0.19 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.63 1kfa s ALA 138 CO -0.15 0.42 0.00 -0.35 0.00 0.00 0.00 175.76 175.68 1kfa n PRO 139 N 0.69 0.00 -0.12 0.00 -0.04 -1.26 -4.85 135.00 129.42 1kfa n PRO 139 Ca -0.16 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.41 1kfa n PRO 139 Cb 0.54 0.00 0.20 0.00 -0.04 0.00 0.00 33.50 34.20 1kfa n PRO 139 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1kfa n SER 147 N 0.00 0.10 -4.32 3.54 3.41 -1.26 -3.91 113.62 111.18 1kfa n SER 147 Ca 0.00 0.51 -0.30 0.00 -0.26 0.00 0.00 58.87 58.82 1kfa n SER 147 Cb 0.00 -0.25 -0.15 0.00 -0.26 0.00 0.00 64.21 63.54 1kfa n SER 147 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1kfa s MET 148 N -4.39 1.93 -0.02 4.33 1.00 -1.26 0.14 119.30 121.03 1kfa s MET 148 Ca -0.03 -1.00 0.05 0.00 0.00 0.00 0.00 55.69 54.71 1kfa s MET 148 Cb 0.11 -1.98 -0.01 0.00 0.00 0.00 0.00 34.83 32.95 1kfa s MET 148 CO 0.26 0.53 -0.16 0.54 0.00 0.00 0.00 175.02 176.18 1kfa s VAL 149 N -0.70 1.30 -0.12 -6.03 0.11 0.26 -4.68 120.40 110.54 1kfa s VAL 149 Ca 0.11 -0.70 0.01 0.00 -2.93 0.00 0.00 61.98 58.47 1kfa s VAL 149 Cb -0.10 -1.09 -0.01 0.00 -1.53 0.00 0.00 36.38 33.64 1kfa s VAL 149 CO 0.00 0.37 -0.14 -0.89 -3.33 0.00 0.00 175.10 171.11 1kfa s THR 150 N -0.31 2.96 0.31 5.04 2.01 -1.26 -0.55 115.64 123.84 1kfa s THR 150 Ca 0.05 -0.70 0.06 0.00 0.31 0.00 0.00 61.69 61.40 1kfa s THR 150 Cb -0.07 -2.22 -0.06 0.00 0.01 0.00 0.00 72.50 70.15 1kfa s THR 150 CO -0.00 0.53 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.69 1kfa s LEU 151 N 0.24 2.44 0.00 4.42 1.02 0.34 -4.63 118.68 122.51 1kfa s LEU 151 Ca -0.10 -1.28 -0.03 0.00 0.02 0.00 0.00 54.13 52.74 1kfa s LEU 151 Cb -0.16 -0.59 0.01 0.00 0.02 0.00 0.00 46.19 45.48 1kfa s LEU 151 CO 0.06 -0.45 0.21 0.61 0.02 0.00 0.00 176.35 176.79 1kfa n GLY 152 N -0.67 2.08 3.19 -3.19 0.00 -0.23 0.02 105.19 106.39 1kfa n GLY 152 Ca -0.04 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 1kfa n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfa s LEU 154 N 0.18 3.83 -0.32 0.00 0.20 0.76 -2.38 118.68 120.95 1kfa s LEU 154 Ca -0.00 -0.90 -0.11 0.00 0.69 0.00 0.00 54.13 53.81 1kfa s LEU 154 Cb -0.02 -1.82 -0.02 0.00 -0.43 0.00 0.00 46.19 43.90 1kfa s LEU 154 CO 0.00 -0.22 0.20 -0.69 -0.29 0.00 0.00 176.35 175.36 1kfa s VAL 155 N 1.42 5.07 0.08 1.68 1.01 0.11 -1.10 120.40 128.67 1kfa s VAL 155 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 61.81 1kfa s VAL 155 Cb -0.18 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1kfa s VAL 155 CO 0.01 0.07 -0.09 -0.75 0.00 0.00 0.00 175.10 174.34 1kfa s LYS 156 N 1.70 0.76 -1.42 2.72 2.20 -0.72 -0.20 119.74 124.78 1kfa s LYS 156 Ca 0.06 -1.08 -0.08 0.00 -0.36 0.00 0.00 55.97 54.51 1kfa s LYS 156 Cb -0.17 -0.42 0.01 0.00 -1.51 0.00 0.00 37.83 35.74 1kfa s LYS 156 CO 0.09 0.06 1.02 0.41 -0.36 0.00 0.00 175.35 176.57 1kfa n GLY 157 N 0.70 -0.54 3.73 5.54 0.00 -0.04 -1.45 105.19 113.14 1kfa n GLY 157 Ca -0.17 0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1kfa n GLY 157 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1kfa s TYR 158 N -3.28 2.77 -0.28 1.61 -0.85 -1.06 -4.55 117.35 111.72 1kfa s TYR 158 Ca 0.50 -0.31 -0.21 0.00 -0.52 0.00 0.00 57.07 56.54 1kfa s TYR 158 Cb -0.22 -1.53 0.09 0.00 0.38 0.00 0.00 41.96 40.68 1kfa s TYR 158 CO 0.62 0.41 0.77 0.12 -1.52 0.00 0.00 175.55 175.95 1kfa s PHE 159 N -2.36 -0.84 0.00 -3.49 5.36 -0.19 0.14 117.98 116.59 1kfa s PHE 159 Ca 0.36 1.85 0.00 0.00 -0.96 0.00 0.00 56.93 58.18 1kfa s PHE 159 Cb -0.04 0.44 0.00 0.00 -0.34 0.00 0.00 43.02 43.07 1kfa s PHE 159 CO 0.23 -0.41 0.00 -0.35 -1.46 0.00 0.00 175.22 173.22 1kfa n PRO 160 N 3.38 3.69 -2.02 10.12 -0.04 -1.26 -0.52 135.00 148.34 1kfa n PRO 160 Ca -0.17 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.00 1kfa n PRO 160 Cb 0.57 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.07 1kfa n PRO 160 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1kfa s GLU 161 N 3.55 2.91 0.19 0.54 0.41 -1.26 -4.80 118.70 120.24 1kfa s GLU 161 Ca 0.00 0.35 0.02 0.00 -0.41 0.00 0.00 54.97 54.94 1kfa s GLU 161 Cb 0.00 -2.09 0.02 0.00 -1.78 0.00 0.00 34.13 30.28 1kfa s GLU 161 CO 0.00 -0.92 0.19 -0.35 -0.49 0.00 0.00 175.26 173.69 1kfa n PRO 162 N -2.88 1.07 -3.78 0.39 -0.04 -1.26 -4.91 135.00 123.60 1kfa n PRO 162 Ca 0.06 -1.10 -0.13 0.00 -0.04 0.00 0.00 63.50 62.30 1kfa n PRO 162 Cb 0.57 0.04 -0.12 0.00 -0.04 0.00 0.00 33.50 33.95 1kfa n PRO 162 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1kfa s VAL 163 N -0.60 -0.00 -0.11 0.52 0.11 -1.26 -4.47 120.40 114.58 1kfa s VAL 163 Ca 0.15 0.02 -0.04 0.00 -2.93 0.00 0.00 61.98 59.18 1kfa s VAL 163 Cb -0.01 -0.37 -0.03 0.00 -1.53 0.00 0.00 36.38 34.44 1kfa s VAL 163 CO 0.09 0.01 0.03 0.42 -3.33 0.00 0.00 175.10 172.31 1kfa s THR 164 N 0.28 4.50 -0.10 5.04 -4.23 -0.16 -4.94 115.64 116.03 1kfa s THR 164 Ca -0.01 -0.17 0.01 0.00 -1.18 0.00 0.00 61.69 60.34 1kfa s THR 164 Cb -0.03 -2.93 0.02 0.00 1.34 0.00 0.00 72.50 70.90 1kfa s THR 164 CO -0.01 0.57 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.84 1kfa s VAL 165 N -0.59 1.23 0.15 2.29 1.01 -1.26 -0.76 120.40 122.47 1kfa s VAL 165 Ca 0.10 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.66 1kfa s VAL 165 Cb -0.12 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1kfa s VAL 165 CO 0.02 0.39 -0.10 0.42 0.00 0.00 0.00 175.10 175.83 1kfa s THR 166 N 1.23 1.21 0.13 3.92 -4.23 -0.57 -4.98 115.64 112.34 1kfa s THR 166 Ca -0.03 -2.07 0.08 0.00 -1.18 0.00 0.00 61.69 58.49 1kfa s THR 166 Cb -0.14 -1.86 -0.04 0.00 1.34 0.00 0.00 72.50 71.80 1kfa s THR 166 CO -0.04 -0.74 -0.12 0.26 -0.54 0.00 0.00 174.62 173.44 1kfa s TRP 167 N -3.30 2.65 -1.14 3.99 0.52 -1.26 -0.24 118.94 120.16 1kfa s TRP 167 Ca 0.17 -0.20 -0.09 0.00 0.02 0.00 0.00 56.10 55.99 1kfa s TRP 167 Cb 0.02 -1.37 0.01 0.00 -1.15 0.00 0.00 33.47 30.99 1kfa s TRP 167 CO 0.01 0.43 0.18 0.09 0.02 0.00 0.00 176.95 177.68 1kfa n ASN 168 N 0.57 -0.56 -2.39 2.95 3.02 0.66 0.17 115.26 119.68 1kfa n ASN 168 Ca -0.13 -1.02 -0.10 0.00 -0.03 0.00 0.00 54.58 53.30 1kfa n ASN 168 Cb 0.53 -1.25 -0.01 0.00 -0.61 0.00 0.00 39.78 38.44 1kfa n ASN 168 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1kfa n SER 169 N -1.97 -3.35 0.00 6.41 7.64 -1.26 -0.97 113.62 120.12 1kfa n SER 169 Ca -0.20 0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1kfa n SER 169 Cb 0.51 -2.89 0.00 0.00 -1.01 0.00 0.00 64.21 60.82 1kfa n SER 169 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kfa n GLY 170 N -0.72 1.94 0.46 0.23 0.00 0.45 -5.00 105.19 102.55 1kfa n GLY 170 Ca -0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 1kfa n GLY 170 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1kfa h SER 171 N 0.00 -0.97 -2.84 1.61 0.02 -0.79 -3.40 113.55 107.18 1kfa h SER 171 Ca 0.00 0.03 -0.57 0.00 -0.84 0.00 0.00 61.79 60.41 1kfa h SER 171 Cb 0.00 0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 1kfa h SER 171 CO 0.00 -0.68 1.20 -0.76 -1.14 0.00 0.00 176.83 175.45 1kfa s LEU 172 N -9.99 3.51 -0.10 5.07 1.43 -1.24 -4.79 118.68 112.57 1kfa s LEU 172 Ca -0.19 1.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.82 1kfa s LEU 172 Cb 0.03 -3.43 -0.05 0.00 0.03 0.00 0.00 46.19 42.77 1kfa s LEU 172 CO 0.60 -1.66 -0.22 -1.20 0.23 0.00 0.00 176.35 174.10 1kfa n SER 173 N 9.91 1.55 -4.75 2.29 7.64 -1.26 -4.41 113.62 124.58 1kfa n SER 173 Ca 0.20 0.25 -0.37 0.00 1.01 0.00 0.00 58.87 59.96 1kfa n SER 173 Cb 0.48 -0.57 0.04 0.00 -1.01 0.00 0.00 64.21 63.15 1kfa n SER 173 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1kfa s SER 174 N -6.07 5.02 -1.02 6.43 1.04 -1.26 -3.11 113.70 114.73 1kfa s SER 174 Ca -0.19 2.50 0.00 0.00 0.48 0.00 0.00 55.95 58.74 1kfa s SER 174 Cb 0.04 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1kfa s SER 174 CO 0.28 -1.72 0.00 0.61 0.98 0.00 0.00 173.24 173.39 1kfa n GLY 175 N 0.66 0.31 3.56 7.32 0.00 -1.26 -4.76 105.19 111.01 1kfa n GLY 175 Ca 0.14 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 1kfa n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kfa s VAL 176 N -2.51 3.51 -0.30 1.61 1.01 -1.18 -0.73 120.40 121.82 1kfa s VAL 176 Ca 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 1kfa s VAL 176 Cb 0.00 -2.44 0.10 0.00 0.00 0.00 0.00 36.38 34.04 1kfa s VAL 176 CO 0.00 0.55 0.12 -1.00 0.00 0.00 0.00 175.10 174.77 1kfa s HIS 177 N -0.83 0.81 -0.38 5.22 3.76 0.15 -4.95 115.29 119.08 1kfa s HIS 177 Ca 0.13 -1.19 -0.13 0.00 -0.15 0.00 0.00 55.06 53.72 1kfa s HIS 177 Cb -0.11 -1.19 0.02 0.00 1.11 0.00 0.00 32.58 32.41 1kfa s HIS 177 CO 0.02 -0.85 0.24 0.99 -0.85 0.00 0.00 174.74 174.30 1kfa s THR 178 N 1.92 4.93 0.58 1.30 2.01 -1.26 0.77 115.64 125.88 1kfa s THR 178 Ca 0.09 -0.67 -0.09 0.00 0.31 0.00 0.00 61.69 61.33 1kfa s THR 178 Cb -0.17 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1kfa s THR 178 CO -0.32 -0.22 0.96 -0.36 -0.69 0.00 0.00 174.62 173.99 1kfa s PHE 179 N 1.63 3.61 0.12 4.92 0.08 -0.02 -4.99 117.98 123.33 1kfa s PHE 179 Ca 0.04 1.15 -0.31 0.00 0.12 0.00 0.00 56.93 57.93 1kfa s PHE 179 Cb -0.19 -2.60 -0.07 0.00 -0.57 0.00 0.00 43.02 39.59 1kfa s PHE 179 CO 0.08 -0.57 1.25 -2.14 -0.10 0.00 0.00 175.22 173.75 1kfa s PRO 180 N -5.05 4.42 0.48 0.24 0.02 -1.26 -4.52 135.00 129.32 1kfa s PRO 180 Ca 0.53 1.90 -0.24 0.00 0.02 0.00 0.00 61.00 63.20 1kfa s PRO 180 Cb -0.11 -3.28 -0.07 0.00 0.02 0.00 0.00 34.50 31.06 1kfa s PRO 180 CO 0.51 -0.26 1.41 0.00 -0.33 0.00 0.00 177.00 178.34 1kfa s ALA 181 N 0.71 3.12 0.12 -1.55 0.00 -1.26 -4.86 121.76 118.04 1kfa s ALA 181 Ca 0.58 1.44 0.07 0.00 0.00 0.00 0.00 51.96 54.05 1kfa s ALA 181 Cb -0.33 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.17 1kfa s ALA 181 CO 0.32 -1.25 -0.09 0.08 0.00 0.00 0.00 175.76 174.82 1kfa s VAL 182 N -1.23 3.41 -0.20 0.00 1.01 -0.12 -4.86 120.40 118.40 1kfa s VAL 182 Ca 0.64 -1.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 1kfa s VAL 182 Cb -0.43 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 1kfa s VAL 182 CO 0.54 0.07 -0.02 -0.22 0.00 0.00 0.00 175.10 175.47 1kfa s LEU 183 N -2.35 3.09 -0.00 3.92 2.96 -1.26 -1.84 118.68 123.20 1kfa s LEU 183 Ca 0.22 -0.28 0.11 0.00 -0.22 0.00 0.00 54.13 53.96 1kfa s LEU 183 Cb -0.11 -1.78 -0.13 0.00 0.50 0.00 0.00 46.19 44.67 1kfa s LEU 183 CO 0.15 0.04 0.38 1.67 -1.32 0.00 0.00 176.35 177.27 1kfa n GLN 184 N 4.41 2.47 0.00 1.98 7.27 -1.19 -5.01 117.38 127.31 1kfa n GLN 184 Ca -0.18 -0.03 0.00 0.00 0.07 0.00 0.00 57.00 56.86 1kfa n GLN 184 Cb 0.51 -1.09 0.00 0.00 2.41 0.00 0.00 30.24 32.08 1kfa n GLN 184 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1kfa n SER 185 N -1.45 0.00 -0.82 1.69 7.64 -1.26 -4.97 113.62 114.44 1kfa n SER 185 Ca 0.01 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.93 1kfa n SER 185 Cb 0.20 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.49 1kfa n SER 185 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1kfa n ASP 186 N 0.00 1.18 -3.92 6.43 8.00 -1.26 -5.04 116.55 121.95 1kfa n ASP 186 Ca 0.00 -2.67 -0.11 0.00 0.71 0.00 0.00 54.79 52.72 1kfa n ASP 186 Cb 0.00 -0.36 -0.13 0.00 -0.02 0.00 0.00 41.12 40.61 1kfa n ASP 186 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1kfa s LEU 187 N -1.30 2.08 0.50 0.64 1.43 -1.26 -4.68 118.68 116.08 1kfa s LEU 187 Ca 0.27 -0.21 0.06 0.00 -1.03 0.00 0.00 54.13 53.22 1kfa s LEU 187 Cb 0.28 0.07 0.04 0.00 0.03 0.00 0.00 46.19 46.61 1kfa s LEU 187 CO -0.08 -0.14 0.69 -0.31 0.23 0.00 0.00 176.35 176.74 1kfa s TYR 188 N -0.66 2.43 -0.28 0.29 1.51 0.37 -3.18 117.35 117.83 1kfa s TYR 188 Ca -0.07 -0.39 -0.17 0.00 -1.01 0.00 0.00 57.07 55.44 1kfa s TYR 188 Cb -0.05 -2.46 0.09 0.00 -0.11 0.00 0.00 41.96 39.44 1kfa s TYR 188 CO -0.00 -0.76 0.74 0.99 -1.11 0.00 0.00 175.55 175.41 1kfa s THR 189 N -2.55 0.00 0.05 -0.71 2.01 -0.76 -0.86 115.64 112.81 1kfa s THR 189 Ca 0.58 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 62.52 1kfa s THR 189 Cb -0.09 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.41 1kfa s THR 189 CO 0.36 0.00 0.10 -1.48 -0.69 0.00 0.00 174.62 172.91 1kfa s LEU 190 N 1.51 1.80 0.19 4.42 0.05 0.72 -0.95 118.68 126.43 1kfa s LEU 190 Ca -0.09 -0.59 0.09 0.00 0.05 0.00 0.00 54.13 53.58 1kfa s LEU 190 Cb -0.05 0.64 -0.04 0.00 -2.05 0.00 0.00 46.19 44.69 1kfa s LEU 190 CO -0.18 -0.55 -0.17 -0.94 -0.55 0.00 0.00 176.35 173.95 1kfa s SER 191 N -2.32 2.77 -0.06 1.48 1.04 -1.26 -0.72 113.70 114.63 1kfa s SER 191 Ca -0.02 -0.94 -0.03 0.00 0.48 0.00 0.00 55.95 55.45 1kfa s SER 191 Cb 0.01 -0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.00 1kfa s SER 191 CO -0.06 -0.07 0.13 -0.55 0.98 0.00 0.00 173.24 173.67 1kfa s SER 192 N -2.99 0.22 0.19 7.02 0.15 -1.00 -0.84 113.70 116.46 1kfa s SER 192 Ca 0.20 0.27 0.08 0.00 0.70 0.00 0.00 55.95 57.19 1kfa s SER 192 Cb -0.04 0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.39 1kfa s SER 192 CO 0.08 -0.18 -0.01 -0.94 1.20 0.00 0.00 173.24 173.39 1kfa s SER 193 N 1.54 4.67 -0.03 5.45 1.04 0.23 -1.83 113.70 124.77 1kfa s SER 193 Ca -0.05 -0.46 -0.01 0.00 0.48 0.00 0.00 55.95 55.91 1kfa s SER 193 Cb -0.12 -0.95 0.03 0.00 0.10 0.00 0.00 66.02 65.07 1kfa s SER 193 CO -0.05 0.07 0.06 0.54 0.98 0.00 0.00 173.24 174.84 1kfa s VAL 194 N -1.84 -0.04 -0.10 5.02 0.11 0.10 0.35 120.40 124.00 1kfa s VAL 194 Ca 0.28 0.15 0.01 0.00 -2.93 0.00 0.00 61.98 59.49 1kfa s VAL 194 Cb -0.09 -0.11 -0.02 0.00 -1.53 0.00 0.00 36.38 34.63 1kfa s VAL 194 CO 0.18 0.06 -0.11 -0.89 -3.33 0.00 0.00 175.10 171.02 1kfa s THR 195 N 0.83 3.27 0.12 5.04 2.01 0.10 -0.50 115.64 126.51 1kfa s THR 195 Ca -0.07 -0.61 -0.03 0.00 0.31 0.00 0.00 61.69 61.30 1kfa s THR 195 Cb -0.09 -2.35 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 1kfa s THR 195 CO -0.03 0.55 0.09 0.68 -0.69 0.00 0.00 174.62 175.22 1kfa s VAL 196 N -0.12 0.12 0.29 3.82 -7.23 0.29 -4.73 120.40 112.84 1kfa s VAL 196 Ca -0.00 -1.77 -0.29 0.00 -1.81 0.00 0.00 61.98 58.10 1kfa s VAL 196 Cb -0.13 -1.90 -0.10 0.00 0.56 0.00 0.00 36.38 34.80 1kfa s VAL 196 CO 0.03 -0.52 1.45 -2.84 -0.31 0.00 0.00 175.10 172.91 1kfa s PRO 197 N -4.01 4.23 0.30 4.82 0.02 -1.26 0.89 135.00 139.99 1kfa s PRO 197 Ca 0.19 2.38 0.02 0.00 0.02 0.00 0.00 61.00 63.62 1kfa s PRO 197 Cb 0.07 -3.06 0.76 0.00 0.02 0.00 0.00 34.50 32.28 1kfa s PRO 197 CO -0.01 -0.43 1.53 0.43 -0.33 0.00 0.00 177.00 178.18 1kfa n SER 198 N 1.69 -0.10 0.25 2.53 7.64 0.38 0.12 113.62 126.13 1kfa n SER 198 Ca 0.05 1.65 0.09 0.00 1.01 0.00 0.00 58.87 61.67 1kfa n SER 198 Cb 0.40 -0.61 0.64 0.00 -1.01 0.00 0.00 64.21 63.63 1kfa n SER 198 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1kfa h SER 199 N 0.00 0.00 -0.84 6.43 4.64 -1.90 -3.03 113.55 118.85 1kfa h SER 199 Ca 0.60 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 62.03 1kfa h SER 199 Cb 1.24 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.25 1kfa h SER 199 CO -0.91 0.13 0.46 -1.28 -0.87 0.00 0.00 176.83 174.36 1kfa h SER 200 N 0.00 0.62 -4.35 4.97 0.87 0.61 -3.38 113.55 112.89 1kfa h SER 200 Ca -0.00 0.06 -0.30 0.00 -1.23 0.00 0.00 61.79 60.32 1kfa h SER 200 Cb 0.29 -0.05 -0.17 0.00 -0.44 0.00 0.00 62.40 62.03 1kfa h SER 200 CO 0.02 0.32 -0.72 -0.60 -0.53 0.00 0.00 176.83 175.32 1kfa s ARG 201 N -6.01 0.88 0.00 2.24 3.52 -1.15 0.36 118.95 118.80 1kfa s ARG 201 Ca -0.12 -1.23 0.00 0.00 -0.13 0.00 0.00 55.73 54.24 1kfa s ARG 201 Cb 0.20 -0.48 0.00 0.00 -1.56 0.00 0.00 34.95 33.11 1kfa s ARG 201 CO 0.78 0.06 0.80 -0.35 -0.81 0.00 0.00 175.30 175.78 1kfa n PRO 202 N 0.33 0.89 0.02 5.12 -0.04 -1.26 -4.87 135.00 135.18 1kfa n PRO 202 Ca -0.14 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.17 1kfa n PRO 202 Cb 0.59 -1.09 -0.09 0.00 -0.04 0.00 0.00 33.50 32.86 1kfa n PRO 202 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1kfa h SER 203 N 0.02 -1.58 -3.05 3.54 0.02 -1.74 -3.40 113.55 107.37 1kfa h SER 203 Ca 0.00 0.18 -0.65 0.00 -0.84 0.00 0.00 61.79 60.48 1kfa h SER 203 Cb 0.09 0.61 -0.09 0.00 0.14 0.00 0.00 62.40 63.16 1kfa h SER 203 CO 0.00 -0.47 -0.56 -1.61 -1.14 0.00 0.00 176.83 173.05 1kfa s GLU 204 N -5.52 3.13 0.37 3.45 0.41 0.16 -5.08 118.70 115.60 1kfa s GLU 204 Ca -0.14 -0.48 -0.25 0.00 -0.41 0.00 0.00 54.97 53.68 1kfa s GLU 204 Cb 0.06 -2.89 -0.09 0.00 -1.78 0.00 0.00 34.13 29.43 1kfa s GLU 204 CO 0.57 0.64 1.05 0.95 -0.49 0.00 0.00 175.26 177.97 1kfa s THR 205 N -1.25 3.73 -0.11 3.63 -4.23 -1.26 -4.37 115.64 111.78 1kfa s THR 205 Ca 0.25 1.42 0.00 0.00 -1.18 0.00 0.00 61.69 62.18 1kfa s THR 205 Cb -0.12 -3.78 0.02 0.00 1.34 0.00 0.00 72.50 69.96 1kfa s THR 205 CO 0.16 0.10 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.55 1kfa s VAL 206 N -1.55 1.13 0.03 2.29 1.01 -1.26 -4.98 120.40 117.06 1kfa s VAL 206 Ca 0.54 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 62.18 1kfa s VAL 206 Cb -0.24 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 1kfa s VAL 206 CO 0.30 0.38 -0.12 -0.89 0.00 0.00 0.00 175.10 174.77 1kfa s THR 207 N 1.42 0.93 -0.12 3.92 2.01 -1.26 -1.10 115.64 121.43 1kfa s THR 207 Ca 0.00 -0.87 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 1kfa s THR 207 Cb -0.13 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 1kfa s THR 207 CO -0.06 -0.01 -0.05 0.00 -0.69 0.00 0.00 174.62 173.81 1kfa s ASN 209 N -0.09 4.27 -0.11 0.00 -0.87 0.66 -1.55 114.94 117.27 1kfa s ASN 209 Ca 0.02 -0.33 0.03 0.00 -1.57 0.00 0.00 52.86 51.01 1kfa s ASN 209 Cb -0.13 -1.70 0.00 0.00 -0.02 0.00 0.00 41.25 39.40 1kfa s ASN 209 CO 0.03 0.07 -0.22 0.54 -2.57 0.00 0.00 177.10 174.95 1kfa s VAL 210 N 0.94 1.94 -0.10 1.60 0.11 0.09 -1.51 120.40 123.46 1kfa s VAL 210 Ca -0.01 -0.94 0.03 0.00 -2.93 0.00 0.00 61.98 58.13 1kfa s VAL 210 Cb -0.15 -1.70 -0.01 0.00 -1.53 0.00 0.00 36.38 33.00 1kfa s VAL 210 CO 0.00 0.53 -0.21 0.00 -3.33 0.00 0.00 175.10 172.10 1kfa s ALA 211 N 0.52 2.32 -0.49 1.54 0.00 0.06 -0.49 121.76 125.22 1kfa s ALA 211 Ca -0.15 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 50.88 1kfa s ALA 211 Cb -0.17 -0.91 0.14 0.00 0.00 0.00 0.00 23.12 22.18 1kfa s ALA 211 CO 0.05 0.31 0.29 -1.58 0.00 0.00 0.00 175.76 174.84 1kfa s HIS 212 N 0.22 2.33 0.26 0.00 2.46 0.98 -0.99 115.29 120.56 1kfa s HIS 212 Ca -0.13 -2.68 -0.01 0.00 0.47 0.00 0.00 55.06 52.71 1kfa s HIS 212 Cb -0.16 -2.07 0.56 0.00 -0.13 0.00 0.00 32.58 30.78 1kfa s HIS 212 CO 0.07 -0.74 1.71 -1.35 -2.47 0.00 0.00 174.74 171.96 1kfa h PRO 213 N 6.37 0.39 -0.14 2.88 0.11 -1.81 -0.75 132.00 139.05 1kfa h PRO 213 Ca 0.03 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.15 1kfa h PRO 213 Cb 0.89 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 31.85 1kfa h PRO 213 CO 0.54 0.26 -0.54 0.00 -0.21 0.00 0.00 178.00 178.05 1kfa h ALA 214 N 1.62 -0.87 -0.04 -0.75 0.00 -1.91 -0.32 119.26 116.99 1kfa h ALA 214 Ca 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1kfa h ALA 214 Cb 0.80 1.00 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1kfa h ALA 214 CO -0.47 -1.08 0.00 -1.13 0.00 0.00 0.00 179.25 176.56 1kfa n SER 215 N -5.43 0.59 -3.44 0.00 3.41 -1.08 -4.91 113.62 102.74 1kfa n SER 215 Ca -0.06 -1.40 -0.17 0.00 -0.26 0.00 0.00 58.87 56.98 1kfa n SER 215 Cb 0.38 -0.02 0.09 0.00 -0.26 0.00 0.00 64.21 64.39 1kfa n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1kfa n SER 216 N -0.45 -2.09 -3.98 4.04 7.64 -0.13 -4.98 113.62 113.66 1kfa n SER 216 Ca 0.17 -0.63 -0.23 0.00 1.01 0.00 0.00 58.87 59.19 1kfa n SER 216 Cb 0.17 -5.09 -0.17 0.00 -1.01 0.00 0.00 64.21 58.12 1kfa n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1kfa s THR 217 N -3.37 0.96 -0.03 0.44 2.01 -0.39 -5.00 115.64 110.25 1kfa s THR 217 Ca 0.01 -0.37 0.05 0.00 0.31 0.00 0.00 61.69 61.69 1kfa s THR 217 Cb -0.01 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 1kfa s THR 217 CO 0.73 0.32 -0.18 -0.54 -0.69 0.00 0.00 174.62 174.27 1kfa s LYS 218 N 0.77 2.36 -0.10 4.92 1.02 -1.26 -0.01 119.74 127.43 1kfa s LYS 218 Ca -0.13 -0.78 -0.04 0.00 0.02 0.00 0.00 55.97 55.04 1kfa s LYS 218 Cb -0.15 -2.27 0.05 0.00 -0.52 0.00 0.00 37.83 34.94 1kfa s LYS 218 CO 0.02 0.60 0.20 0.08 -0.92 0.00 0.00 175.35 175.33 1kfa s VAL 219 N -0.73 -0.32 -0.13 3.17 1.01 0.36 -5.00 120.40 118.77 1kfa s VAL 219 Ca 0.11 0.31 -0.07 0.00 0.00 0.00 0.00 61.98 62.34 1kfa s VAL 219 Cb -0.10 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 1kfa s VAL 219 CO 0.01 0.12 0.11 -1.81 0.00 0.00 0.00 175.10 173.53 1kfa s ASP 220 N 2.34 6.13 -0.15 3.32 1.01 -1.26 -0.73 116.67 127.32 1kfa s ASP 220 Ca 0.03 0.36 -0.03 0.00 0.71 0.00 0.00 52.55 53.61 1kfa s ASP 220 Cb -0.12 -1.97 0.05 0.00 1.01 0.00 0.00 42.92 41.88 1kfa s ASP 220 CO -0.07 0.35 0.04 -0.54 0.21 0.00 0.00 175.17 175.16 1kfa s LYS 221 N -0.70 0.49 -0.01 8.23 -0.14 -0.59 -5.01 119.74 122.02 1kfa s LYS 221 Ca 0.13 -0.19 -0.26 0.00 -1.36 0.00 0.00 55.97 54.29 1kfa s LYS 221 Cb -0.12 -1.70 -0.04 0.00 -1.68 0.00 0.00 37.83 34.29 1kfa s LYS 221 CO 0.03 -0.55 0.80 0.21 -0.76 0.00 0.00 175.35 175.07 1kfa s LYS 222 N 1.96 4.50 -0.37 1.68 2.20 -1.26 -1.81 119.74 126.63 1kfa s LYS 222 Ca 0.01 1.09 -0.24 0.00 -0.36 0.00 0.00 55.97 56.47 1kfa s LYS 222 Cb -0.15 -3.42 0.01 0.00 -1.51 0.00 0.00 37.83 32.76 1kfa s LYS 222 CO -0.07 0.12 0.82 0.42 -0.36 0.00 0.00 175.35 176.28 1kfa s ILE 223 N 0.51 4.69 0.25 5.43 -1.09 -0.26 -4.98 121.20 125.75 1kfa s ILE 223 Ca 0.41 0.92 0.09 0.00 -2.23 0.00 0.00 60.65 59.84 1kfa s ILE 223 Cb -0.20 -4.25 -0.04 0.00 -1.58 0.00 0.00 42.46 36.39 1kfa s ILE 223 CO 0.22 -0.48 0.03 0.68 -1.23 0.00 0.00 174.94 174.17 1kfa s VAL 224 N 3.20 3.68 0.60 2.92 -7.23 -1.26 -4.61 120.40 117.70 1kfa s VAL 224 Ca 0.33 -1.75 -0.19 0.00 -1.81 0.00 0.00 61.98 58.56 1kfa s VAL 224 Cb -0.13 -2.95 -0.03 0.00 0.56 0.00 0.00 36.38 33.82 1kfa s VAL 224 CO 0.18 -0.33 1.22 -2.84 -0.31 0.00 0.00 175.10 173.01 1kfa s PRO 225 N -3.60 2.94 0.36 4.82 0.02 -1.26 -4.78 135.00 133.49 1kfa s PRO 225 Ca 0.31 1.86 -0.11 0.00 0.02 0.00 0.00 61.00 63.08 1kfa s PRO 225 Cb -0.07 -1.93 -0.07 0.00 0.02 0.00 0.00 34.50 32.45 1kfa s PRO 225 CO 0.21 -1.24 0.71 0.00 -0.33 0.00 0.00 177.00 176.35 1kfa s ALA 226 N -1.57 3.40 -0.07 -1.55 0.00 -1.25 -5.11 121.76 115.61 1kfa s ALA 226 Ca 0.78 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.53 1kfa s ALA 226 Cb -0.31 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.18 1kfa s ALA 226 CO 0.34 0.14 0.52 -0.25 0.00 0.00 0.00 175.76 176.51