#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bkc s THR 3 N 0.00 0.74 -0.06 2.52 -4.23 -0.49 -4.98 115.64 109.14 3bkc s THR 3 Ca 0.00 -0.90 0.04 0.00 -1.18 0.00 0.00 61.69 59.65 3bkc s THR 3 Cb 0.00 -0.72 0.00 0.00 1.34 0.00 0.00 72.50 73.12 3bkc s THR 3 CO 0.00 -0.15 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.00 3bkc s LEU 4 N -1.16 1.88 -0.11 4.79 1.43 -1.26 -1.52 118.68 122.73 3bkc s LEU 4 Ca -0.03 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3bkc s LEU 4 Cb -0.08 -1.02 0.03 0.00 0.03 0.00 0.00 46.19 45.16 3bkc s LEU 4 CO 0.01 0.13 -0.01 -0.75 0.23 0.00 0.00 176.35 175.95 3bkc s LYS 5 N 0.22 0.89 0.13 1.70 2.20 -0.38 -4.24 119.74 120.26 3bkc s LYS 5 Ca -0.09 -0.14 -0.23 0.00 -0.36 0.00 0.00 55.97 55.15 3bkc s LYS 5 Cb -0.14 -1.43 -0.07 0.00 -1.51 0.00 0.00 37.83 34.68 3bkc s LYS 5 CO 0.04 -0.38 0.71 -1.21 -0.36 0.00 0.00 175.35 174.15 3bkc s GLU 6 N 1.86 4.45 0.09 4.03 8.01 -1.26 -1.47 118.70 134.40 3bkc s GLU 6 Ca 0.03 1.02 0.04 0.00 0.01 0.00 0.00 54.97 56.07 3bkc s GLU 6 Cb -0.14 -3.26 -0.03 0.00 -4.31 0.00 0.00 34.13 26.39 3bkc s GLU 6 CO -0.07 0.57 -0.12 -1.54 0.01 0.00 0.00 175.26 174.12 3bkc s SER 7 N -1.06 1.53 0.14 -0.19 1.04 0.52 -4.65 113.70 111.04 3bkc s SER 7 Ca 0.34 -0.73 -0.10 0.00 0.48 0.00 0.00 55.95 55.94 3bkc s SER 7 Cb -0.22 -0.02 0.04 0.00 0.10 0.00 0.00 66.02 65.92 3bkc s SER 7 CO 0.24 -0.19 0.47 0.61 0.98 0.00 0.00 173.24 175.35 3bkc n GLY 8 N 0.85 1.18 0.20 7.32 0.00 -1.26 -1.72 105.19 111.75 3bkc n GLY 8 Ca -0.18 -1.08 0.13 0.00 0.00 0.00 0.00 46.02 44.89 3bkc n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bkc h PRO 9 N 0.00 0.00 0.00 1.61 0.13 -1.90 -3.48 132.00 128.36 3bkc h PRO 9 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 3bkc h PRO 9 Cb 0.62 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.75 3bkc h PRO 9 CO 0.20 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.38 3bkc n GLY 10 N 0.93 1.44 3.03 1.56 0.00 -1.26 -4.83 105.19 106.07 3bkc n GLY 10 Ca 0.04 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 3bkc n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bkc s LEU 11 N 0.00 1.93 0.07 0.99 1.43 -1.26 -0.76 118.68 121.09 3bkc s LEU 11 Ca 0.00 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 3bkc s LEU 11 Cb 0.00 -0.54 -0.03 0.00 0.03 0.00 0.00 46.19 45.64 3bkc s LEU 11 CO 0.00 0.10 -0.07 -0.76 0.23 0.00 0.00 176.35 175.86 3bkc s LEU 12 N -0.08 2.40 0.46 1.79 1.43 -0.68 -4.96 118.68 119.04 3bkc s LEU 12 Ca 0.01 -0.81 -0.15 0.00 -1.03 0.00 0.00 54.13 52.15 3bkc s LEU 12 Cb -0.06 -0.07 -0.08 0.00 0.03 0.00 0.00 46.19 46.01 3bkc s LEU 12 CO -0.00 -0.37 0.90 -0.54 0.23 0.00 0.00 176.35 176.57 3bkc s LYS 13 N -2.88 3.93 0.50 1.70 1.02 -1.25 -1.21 119.74 121.55 3bkc s LYS 13 Ca 0.02 0.81 -0.23 0.00 0.02 0.00 0.00 55.97 56.60 3bkc s LYS 13 Cb -0.01 -2.24 -0.07 0.00 -0.52 0.00 0.00 37.83 34.99 3bkc s LYS 13 CO -0.03 -0.15 1.21 -2.30 -0.92 0.00 0.00 175.35 173.17 3bkc n PRO 14 N -1.31 1.58 0.00 -1.68 -0.02 -1.26 -2.33 135.00 129.99 3bkc n PRO 14 Ca 0.05 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3bkc n PRO 14 Cb 0.54 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3bkc n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3bkc n SER 15 N -0.39 0.00 -4.72 2.55 3.41 0.33 -4.92 113.62 109.88 3bkc n SER 15 Ca 0.10 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.40 3bkc n SER 15 Cb 0.43 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.51 3bkc n SER 15 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3bkc s GLN 16 N -0.21 1.40 -0.16 4.33 -0.21 -0.98 -3.85 119.66 119.97 3bkc s GLN 16 Ca 0.00 0.99 -0.15 0.00 0.02 0.00 0.00 55.36 56.22 3bkc s GLN 16 Cb 0.00 -1.81 -0.04 0.00 1.00 0.00 0.00 33.01 32.15 3bkc s GLN 16 CO 0.00 -2.19 0.35 0.99 -2.12 0.00 0.00 175.29 172.32 3bkc s THR 17 N -2.87 5.26 -0.20 -0.19 2.01 -1.26 -1.91 115.64 116.47 3bkc s THR 17 Ca 0.63 0.65 -0.25 0.00 0.31 0.00 0.00 61.69 63.03 3bkc s THR 17 Cb -0.19 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 3bkc s THR 17 CO 0.57 0.35 0.86 -0.22 -0.69 0.00 0.00 174.62 175.49 3bkc s LEU 18 N 0.67 4.13 -0.27 4.42 2.96 0.23 -4.96 118.68 125.87 3bkc s LEU 18 Ca 0.19 1.15 -0.02 0.00 -0.22 0.00 0.00 54.13 55.22 3bkc s LEU 18 Cb -0.14 -3.26 0.03 0.00 0.50 0.00 0.00 46.19 43.33 3bkc s LEU 18 CO 0.06 -0.48 -0.03 -0.44 -1.32 0.00 0.00 176.35 174.14 3bkc s SER 19 N 1.24 4.55 0.00 3.68 0.01 -1.26 -0.90 113.70 121.01 3bkc s SER 19 Ca 0.38 -0.96 0.01 0.00 1.31 0.00 0.00 55.95 56.68 3bkc s SER 19 Cb -0.16 -1.70 -0.04 0.00 0.21 0.00 0.00 66.02 64.34 3bkc s SER 19 CO 0.10 -0.17 0.04 -0.76 0.41 0.00 0.00 173.24 172.86 3bkc s LEU 20 N 1.32 3.71 -0.04 2.44 1.43 0.51 -4.44 118.68 123.61 3bkc s LEU 20 Ca -0.01 0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.21 3bkc s LEU 20 Cb -0.17 -2.16 -0.01 0.00 0.03 0.00 0.00 46.19 43.88 3bkc s LEU 20 CO -0.03 0.27 -0.21 -0.89 0.23 0.00 0.00 176.35 175.72 3bkc s THR 21 N -1.16 1.71 -0.24 5.49 2.01 -0.70 -1.21 115.64 121.55 3bkc s THR 21 Ca 0.22 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.30 3bkc s THR 21 Cb -0.12 -1.45 0.01 0.00 0.01 0.00 0.00 72.50 70.96 3bkc s THR 21 CO 0.13 0.48 -0.05 0.00 -0.69 0.00 0.00 174.62 174.49 3bkc s SER 23 N 1.39 6.02 0.03 0.00 0.01 -0.54 -1.24 113.70 119.37 3bkc s SER 23 Ca 0.03 0.08 0.01 0.00 1.31 0.00 0.00 55.95 57.38 3bkc s SER 23 Cb -0.15 -2.09 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 3bkc s SER 23 CO -0.04 0.05 0.09 -0.36 0.41 0.00 0.00 173.24 173.39 3bkc s PHE 24 N 1.12 3.26 0.22 2.43 0.40 -0.60 -1.24 117.98 123.57 3bkc s PHE 24 Ca 0.07 0.15 -0.12 0.00 -0.60 0.00 0.00 56.93 56.43 3bkc s PHE 24 Cb -0.14 -1.69 -0.00 0.00 0.51 0.00 0.00 43.02 41.70 3bkc s PHE 24 CO 0.05 0.54 0.44 -1.54 0.70 0.00 0.00 175.22 175.41 3bkc s SER 25 N -2.05 -0.08 0.00 1.36 1.04 -0.58 -4.88 113.70 108.51 3bkc s SER 25 Ca 0.26 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.82 3bkc s SER 25 Cb -0.12 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.55 3bkc s SER 25 CO 0.18 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.94 3bkc n GLY 26 N -0.34 0.74 3.62 7.32 0.00 -1.26 -1.40 105.19 113.87 3bkc n GLY 26 Ca -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 3bkc n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3bkc s PHE 27 N -3.14 -0.22 -0.24 1.61 -0.71 -1.26 -4.45 117.98 109.57 3bkc s PHE 27 Ca 0.00 0.02 -0.07 0.00 -1.04 0.00 0.00 56.93 55.84 3bkc s PHE 27 Cb 0.00 0.58 -0.03 0.00 -1.21 0.00 0.00 43.02 42.36 3bkc s PHE 27 CO 0.00 -0.62 0.07 0.45 -1.34 0.00 0.00 175.22 173.78 3bkc s SER 28 N -2.70 5.24 0.23 1.98 0.15 -1.26 -4.99 113.70 112.35 3bkc s SER 28 Ca 0.09 -0.15 -0.06 0.00 0.70 0.00 0.00 55.95 56.53 3bkc s SER 28 Cb -0.01 -1.94 0.40 0.00 -1.71 0.00 0.00 66.02 62.77 3bkc s SER 28 CO -0.04 -0.00 1.73 0.40 1.20 0.00 0.00 173.24 176.53 3bkc h ILE 29 N 5.43 0.66 -0.19 6.45 2.04 -1.94 -0.06 117.51 129.91 3bkc h ILE 29 Ca -0.38 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 3bkc h ILE 29 Cb 1.18 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3bkc h ILE 29 CO 0.59 0.07 0.01 -0.09 0.00 0.00 0.00 178.15 178.73 3bkc h ARG 30 N 0.40 0.34 -0.05 2.37 2.43 -1.95 -2.42 114.38 115.49 3bkc h ARG 30 Ca 0.38 -0.10 -0.25 0.00 -0.81 0.00 0.00 59.98 59.19 3bkc h ARG 30 Cb 0.57 -0.03 0.02 0.00 -0.42 0.00 0.00 29.97 30.10 3bkc h ARG 30 CO -0.39 0.53 -0.95 1.15 -1.51 0.00 0.00 179.97 178.79 3bkc h THR 31 N 0.10 1.28 0.00 0.20 2.02 -1.94 -3.31 112.91 111.26 3bkc h THR 31 Ca 0.06 -2.15 -0.15 0.00 0.77 0.00 0.00 66.41 64.93 3bkc h THR 31 Cb 0.38 2.24 -0.02 0.00 -1.74 0.00 0.00 68.15 69.01 3bkc h THR 31 CO 0.01 0.67 -0.71 0.77 0.37 0.00 0.00 175.52 176.63 3bkc h SER 32 N 0.45 0.00 -2.63 4.18 4.64 -1.06 -3.47 113.55 115.66 3bkc h SER 32 Ca -0.10 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.81 3bkc h SER 32 Cb 1.60 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.65 3bkc h SER 32 CO 0.19 0.71 -0.50 0.29 -0.87 0.00 0.00 176.83 176.66 3bkc n LYS 33 N -3.38 -1.58 -2.37 4.77 5.02 -0.91 -4.99 118.16 114.71 3bkc n LYS 33 Ca 0.01 1.01 -0.36 0.00 -2.02 0.00 0.00 58.31 56.94 3bkc n LYS 33 Cb 0.78 -5.59 -0.02 0.00 -0.02 0.00 0.00 35.03 30.18 3bkc n LYS 33 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3bkc s VAL 34 N -2.97 3.38 0.64 -0.18 -7.23 -1.26 -4.46 120.40 108.32 3bkc s VAL 34 Ca 0.00 0.97 -0.10 0.00 -1.81 0.00 0.00 61.98 61.05 3bkc s VAL 34 Cb 0.00 -3.46 -0.01 0.00 0.56 0.00 0.00 36.38 33.47 3bkc s VAL 34 CO 0.00 -0.07 1.01 -0.83 -0.31 0.00 0.00 175.10 174.89 3bkc s GLY 35 N -1.59 1.62 -0.02 2.32 0.00 -1.25 -4.08 107.32 104.33 3bkc s GLY 35 Ca 0.65 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.00 3bkc s GLY 35 CO 0.29 -0.07 0.01 0.14 0.00 0.00 0.00 173.10 173.48 3bkc s VAL 35 N -3.18 0.02 0.23 1.40 1.01 -0.74 -0.28 120.40 118.87 3bkc s VAL 35 Ca 0.55 0.12 0.11 0.00 0.00 0.00 0.00 61.98 62.76 3bkc s VAL 35 Cb -0.11 -0.10 -0.05 0.00 0.00 0.00 0.00 36.38 36.12 3bkc s VAL 35 CO 0.50 0.07 -0.17 -0.44 0.00 0.00 0.00 175.10 175.06 3bkc s SER 35 N 0.72 3.76 -0.09 3.32 0.01 -0.23 -0.91 113.70 120.27 3bkc s SER 35 Ca -0.06 -0.85 -0.00 0.00 1.31 0.00 0.00 55.95 56.34 3bkc s SER 35 Cb -0.09 -0.42 -0.03 0.00 0.21 0.00 0.00 66.02 65.69 3bkc s SER 35 CO -0.02 0.08 -0.06 0.26 0.41 0.00 0.00 173.24 173.90 3bkc s TRP 36 N -2.05 2.96 -0.00 2.43 0.52 0.01 -1.12 118.94 121.68 3bkc s TRP 36 Ca 0.26 -0.10 0.01 0.00 0.02 0.00 0.00 56.10 56.29 3bkc s TRP 36 Cb -0.07 -1.78 -0.00 0.00 -1.15 0.00 0.00 33.47 30.47 3bkc s TRP 36 CO 0.14 0.21 -0.03 0.42 0.02 0.00 0.00 176.95 177.70 3bkc s ILE 37 N -0.44 0.26 0.25 2.03 1.01 -0.18 -1.18 121.20 122.95 3bkc s ILE 37 Ca 0.07 -0.12 0.06 0.00 0.00 0.00 0.00 60.65 60.65 3bkc s ILE 37 Cb -0.12 -0.23 -0.05 0.00 0.01 0.00 0.00 42.46 42.06 3bkc s ILE 37 CO 0.02 0.08 -0.06 0.00 0.00 0.00 0.00 174.94 174.98 3bkc s ARG 38 N 0.01 1.45 -0.27 2.79 1.70 -0.10 -0.28 118.95 124.24 3bkc s ARG 38 Ca 0.00 -1.71 -0.04 0.00 -0.47 0.00 0.00 55.73 53.51 3bkc s ARG 38 Cb -0.02 -1.01 0.09 0.00 -0.57 0.00 0.00 34.95 33.44 3bkc s ARG 38 CO -0.00 0.04 0.11 -1.14 -1.08 0.00 0.00 175.30 173.23 3bkc s GLN 39 N -3.74 0.27 0.53 3.89 0.74 0.33 -0.98 119.66 120.70 3bkc s GLN 39 Ca 0.27 -0.53 -0.21 0.00 0.05 0.00 0.00 55.36 54.94 3bkc s GLN 39 Cb 0.03 -1.44 -0.07 0.00 1.10 0.00 0.00 33.01 32.63 3bkc s GLN 39 CO 0.10 -0.94 1.00 -2.30 -0.55 0.00 0.00 175.29 172.60 3bkc n PRO 40 N 5.19 1.14 -1.69 1.67 -0.02 -1.26 -1.42 135.00 138.61 3bkc n PRO 40 Ca -0.06 0.42 -0.44 0.00 -2.02 0.00 0.00 63.50 61.41 3bkc n PRO 40 Cb 0.43 -2.14 -0.02 0.00 -0.02 0.00 0.00 33.50 31.75 3bkc n PRO 40 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3bkc n SER 41 N -0.22 2.96 -2.27 2.55 7.64 -1.26 -0.82 113.62 122.20 3bkc n SER 41 Ca 0.11 1.15 -0.14 0.00 1.01 0.00 0.00 58.87 61.00 3bkc n SER 41 Cb 0.44 -1.46 -0.02 0.00 -1.01 0.00 0.00 64.21 62.16 3bkc n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bkc n GLY 42 N 2.04 -0.21 3.45 0.23 0.00 -1.26 -4.97 105.19 104.46 3bkc n GLY 42 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 3bkc n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bkc n LYS 43 N -2.71 0.60 -0.25 1.61 4.76 -0.00 -5.17 118.16 117.00 3bkc n LYS 43 Ca -0.17 -3.54 0.00 0.00 -2.87 0.00 0.00 58.31 51.73 3bkc n LYS 43 Cb 0.60 1.78 0.00 0.00 -1.84 0.00 0.00 35.03 35.57 3bkc n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3bkc n GLY 44 N -0.89 0.65 3.87 0.72 0.00 -1.26 -4.70 105.19 103.57 3bkc n GLY 44 Ca -0.08 -1.89 -0.37 0.00 0.00 0.00 0.00 46.02 43.68 3bkc n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bkc s LEU 45 N 0.00 4.42 -0.13 0.99 1.43 -1.26 -4.17 118.68 119.96 3bkc s LEU 45 Ca 0.00 0.64 -0.00 0.00 -1.03 0.00 0.00 54.13 53.74 3bkc s LEU 45 Cb 0.00 -2.31 0.03 0.00 0.03 0.00 0.00 46.19 43.94 3bkc s LEU 45 CO 0.00 0.36 -0.08 -0.70 0.23 0.00 0.00 176.35 176.16 3bkc s GLU 46 N -1.13 1.63 0.22 1.70 2.12 -0.15 -4.99 118.70 118.10 3bkc s GLU 46 Ca 0.19 -0.33 -0.30 0.00 0.36 0.00 0.00 54.97 54.89 3bkc s GLU 46 Cb -0.14 -1.72 -0.08 0.00 0.26 0.00 0.00 34.13 32.45 3bkc s GLU 46 CO 0.08 -0.28 1.15 -0.46 -0.54 0.00 0.00 175.26 175.20 3bkc s TRP 47 N 1.67 3.50 -0.10 5.30 -0.00 -1.26 -0.92 118.94 127.12 3bkc s TRP 47 Ca 0.04 1.55 -0.10 0.00 -0.00 0.00 0.00 56.10 57.60 3bkc s TRP 47 Cb -0.13 -3.35 -0.05 0.00 -0.00 0.00 0.00 33.47 29.94 3bkc s TRP 47 CO -0.09 -0.87 -0.22 1.28 -0.00 0.00 0.00 176.95 177.06 3bkc n LEU 48 N 2.02 1.49 -3.51 5.86 4.77 -0.32 -4.62 117.00 122.69 3bkc n LEU 48 Ca 0.02 0.24 -0.13 0.00 -0.03 0.00 0.00 56.01 56.12 3bkc n LEU 48 Cb 0.45 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 3bkc n LEU 48 CO 0.55 -0.20 0.58 0.00 -1.33 0.00 0.00 177.39 176.98 3bkc s ALA 49 N -2.48 -1.79 -0.01 -1.18 0.00 -1.18 -0.18 121.76 114.94 3bkc s ALA 49 Ca -0.20 1.16 0.02 0.00 0.00 0.00 0.00 51.96 52.94 3bkc s ALA 49 Cb 0.05 0.09 -0.00 0.00 0.00 0.00 0.00 23.12 23.25 3bkc s ALA 49 CO 0.27 -0.51 -0.06 -1.58 0.00 0.00 0.00 175.76 173.89 3bkc s HIS 50 N -2.13 0.55 -0.09 0.00 2.46 -0.13 -0.81 115.29 115.14 3bkc s HIS 50 Ca -0.02 -0.11 0.03 0.00 0.47 0.00 0.00 55.06 55.43 3bkc s HIS 50 Cb -0.01 -0.38 0.01 0.00 -0.13 0.00 0.00 32.58 32.07 3bkc s HIS 50 CO -0.01 -0.03 -0.19 -1.50 -2.47 0.00 0.00 174.74 170.54 3bkc s ILE 51 N 0.02 1.69 0.57 0.89 2.07 -0.09 -1.15 121.20 125.20 3bkc s ILE 51 Ca 0.00 -0.80 -0.03 0.00 -1.41 0.00 0.00 60.65 58.42 3bkc s ILE 51 Cb -0.04 -1.49 0.02 0.00 0.13 0.00 0.00 42.46 41.09 3bkc s ILE 51 CO -0.00 0.48 0.84 -0.31 -1.91 0.00 0.00 174.94 174.04 3bkc s TYR 52 N 0.53 3.08 0.45 3.50 1.51 0.39 -1.78 117.35 125.03 3bkc s TYR 52 Ca -0.16 0.35 0.15 0.00 -1.01 0.00 0.00 57.07 56.40 3bkc s TYR 52 Cb -0.17 -2.74 1.09 0.00 -0.11 0.00 0.00 41.96 40.03 3bkc s TYR 52 CO 0.06 -0.85 2.01 0.11 -1.11 0.00 0.00 175.55 175.77 3bkc h TRP 53 N -0.07 0.34 -0.25 2.71 5.08 -1.78 0.33 115.95 122.30 3bkc h TRP 53 Ca -0.45 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.53 3bkc h TRP 53 Cb 1.28 -0.11 0.00 0.00 -3.00 0.00 0.00 29.16 27.33 3bkc h TRP 53 CO 0.42 0.17 0.00 -0.40 -1.28 0.00 0.00 178.44 177.34 3bkc n ASP 54 N -4.47 1.62 0.00 0.11 5.75 -1.26 -4.91 116.55 113.40 3bkc n ASP 54 Ca 0.08 -2.06 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 3bkc n ASP 54 Cb 0.34 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 3bkc n ASP 54 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3bkc n ASP 55 N 0.26 0.00 -4.68 -1.12 2.03 0.10 -5.03 116.55 108.11 3bkc n ASP 55 Ca 0.09 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.00 3bkc n ASP 55 Cb 0.28 -0.17 0.03 0.00 -0.72 0.00 0.00 41.12 40.54 3bkc n ASP 55 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3bkc n ASP 56 N 0.00 2.04 -4.01 1.67 8.00 -1.26 -4.76 116.55 118.23 3bkc n ASP 56 Ca 0.00 1.01 -0.15 0.00 0.71 0.00 0.00 54.79 56.36 3bkc n ASP 56 Cb 0.00 -1.47 -0.13 0.00 -0.02 0.00 0.00 41.12 39.49 3bkc n ASP 56 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3bkc s LYS 57 N -2.44 0.50 0.09 -1.24 1.02 -1.26 -0.46 119.74 115.94 3bkc s LYS 57 Ca 0.67 -0.44 0.05 0.00 0.02 0.00 0.00 55.97 56.27 3bkc s LYS 57 Cb -0.48 -0.39 -0.03 0.00 -0.52 0.00 0.00 37.83 36.41 3bkc s LYS 57 CO 0.54 0.10 -0.14 1.03 -0.92 0.00 0.00 175.35 175.95 3bkc s ARG 58 N -0.75 0.89 0.06 1.68 1.81 -0.30 -5.00 118.95 117.34 3bkc s ARG 58 Ca -0.03 -1.05 0.05 0.00 -1.72 0.00 0.00 55.73 52.98 3bkc s ARG 58 Cb -0.05 -0.87 -0.03 0.00 -0.45 0.00 0.00 34.95 33.55 3bkc s ARG 58 CO 0.00 0.19 -0.14 0.71 -0.68 0.00 0.00 175.30 175.38 3bkc s TYR 59 N -1.54 1.21 -0.12 -0.53 2.02 -1.26 -0.95 117.35 116.18 3bkc s TYR 59 Ca 0.02 -0.42 -0.29 0.00 -0.37 0.00 0.00 57.07 56.00 3bkc s TYR 59 Cb -0.08 -0.69 -0.05 0.00 -0.40 0.00 0.00 41.96 40.73 3bkc s TYR 59 CO 0.02 0.05 1.85 1.21 -1.57 0.00 0.00 175.55 177.11 3bkc s ASN 60 N -1.52 6.25 0.47 2.29 3.04 0.75 -4.91 114.94 121.32 3bkc s ASN 60 Ca -0.01 2.08 0.21 0.00 0.04 0.00 0.00 52.86 55.18 3bkc s ASN 60 Cb -0.09 -2.53 1.22 0.00 -1.54 0.00 0.00 41.25 38.31 3bkc s ASN 60 CO 0.02 -1.29 1.93 -0.65 -3.04 0.00 0.00 177.10 174.07 3bkc h PRO 61 N 11.39 0.22 0.00 0.43 0.11 -1.95 -1.36 132.00 140.84 3bkc h PRO 61 Ca -0.41 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 3bkc h PRO 61 Cb 1.20 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3bkc h PRO 61 CO 0.97 0.15 -0.18 0.66 -0.21 0.00 0.00 178.00 179.39 3bkc h SER 62 N 0.23 0.00 -0.01 -2.05 4.64 -1.98 -3.19 113.55 111.19 3bkc h SER 62 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3bkc h SER 62 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3bkc h SER 62 CO -0.08 0.18 -0.03 0.18 -0.87 0.00 0.00 176.83 176.21 3bkc n LEU 63 N -3.36 1.32 -0.26 5.97 4.77 -0.78 -4.79 117.00 119.86 3bkc n LEU 63 Ca 0.00 -0.93 0.07 0.00 -0.03 0.00 0.00 56.01 55.12 3bkc n LEU 63 Cb 0.39 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.69 3bkc n LEU 63 CO 0.32 0.28 0.93 -0.08 -1.33 0.00 0.00 177.39 177.51 3bkc h GLU 64 N 0.99 0.25 0.00 3.23 4.81 -1.26 0.41 114.58 123.01 3bkc h GLU 64 Ca 0.00 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3bkc h GLU 64 Cb 0.23 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 3bkc h GLU 64 CO 0.00 0.16 -0.02 0.66 -0.73 0.00 0.00 179.01 179.08 3bkc h SER 65 N 0.26 0.00 -0.01 1.04 4.64 -1.87 -2.02 113.55 115.59 3bkc h SER 65 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 3bkc h SER 65 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 3bkc h SER 65 CO -0.54 0.02 -0.72 0.54 -0.87 0.00 0.00 176.83 175.26 3bkc n ARG 66 N -3.53 0.75 -4.18 4.77 1.74 0.09 -4.97 116.66 111.34 3bkc n ARG 66 Ca -0.03 -0.49 -0.35 0.00 -0.77 0.00 0.00 57.85 56.21 3bkc n ARG 66 Cb 0.12 -1.46 -0.08 0.00 -1.02 0.00 0.00 32.46 30.01 3bkc n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3bkc s LEU 67 N -2.70 3.85 -0.10 0.55 1.43 -0.76 -1.71 118.68 119.24 3bkc s LEU 67 Ca 0.13 0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.45 3bkc s LEU 67 Cb 0.16 -1.91 0.03 0.00 0.03 0.00 0.00 46.19 44.50 3bkc s LEU 67 CO 0.70 0.36 -0.05 -0.89 0.23 0.00 0.00 176.35 176.70 3bkc s THR 68 N -0.74 0.80 -0.13 5.49 2.01 -0.59 -4.92 115.64 117.55 3bkc s THR 68 Ca 0.12 -0.15 -0.08 0.00 0.31 0.00 0.00 61.69 61.90 3bkc s THR 68 Cb -0.12 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 3bkc s THR 68 CO 0.03 0.33 0.14 -0.51 -0.69 0.00 0.00 174.62 173.92 3bkc s ILE 69 N 1.80 5.48 0.23 1.82 2.07 -1.26 -0.86 121.20 130.49 3bkc s ILE 69 Ca 0.05 0.22 -0.01 0.00 -1.41 0.00 0.00 60.65 59.50 3bkc s ILE 69 Cb -0.12 -3.42 0.00 0.00 0.13 0.00 0.00 42.46 39.05 3bkc s ILE 69 CO -0.07 0.59 0.32 -1.54 -1.91 0.00 0.00 174.94 172.33 3bkc n SER 70 N 2.23 -0.89 -3.82 4.50 3.41 -0.77 -5.00 113.62 113.28 3bkc n SER 70 Ca -0.19 -2.28 -0.09 0.00 -0.26 0.00 0.00 58.87 56.05 3bkc n SER 70 Cb 0.54 1.68 -0.05 0.00 -0.26 0.00 0.00 64.21 66.13 3bkc n SER 70 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3bkc s LYS 71 N -2.55 1.38 -0.37 4.33 -2.85 -1.26 0.02 119.74 118.43 3bkc s LYS 71 Ca 0.20 -0.98 0.00 0.00 -1.00 0.00 0.00 55.97 54.19 3bkc s LYS 71 Cb -0.01 0.49 0.13 0.00 -2.06 0.00 0.00 37.83 36.38 3bkc s LYS 71 CO 0.14 -0.57 0.19 0.34 0.10 0.00 0.00 175.35 175.55 3bkc s ASP 72 N -2.91 3.54 0.33 0.03 -1.08 -0.00 -4.98 116.67 111.59 3bkc s ASP 72 Ca 0.13 -2.18 0.01 0.00 -0.52 0.00 0.00 52.55 49.99 3bkc s ASP 72 Cb -0.00 -0.77 0.58 0.00 -1.46 0.00 0.00 42.92 41.26 3bkc s ASP 72 CO -0.00 -0.33 1.96 0.71 0.52 0.00 0.00 175.17 178.04 3bkc h THR 73 N 5.55 1.12 -0.13 1.71 1.35 -1.97 -0.76 112.91 119.78 3bkc h THR 73 Ca -0.03 -0.33 -0.02 0.00 -0.55 0.00 0.00 66.41 65.48 3bkc h THR 73 Cb 0.97 0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 3bkc h THR 73 CO 0.42 0.17 -0.01 0.77 -0.25 0.00 0.00 175.52 176.62 3bkc h SER 74 N 0.95 0.17 0.11 5.36 4.64 -1.94 -2.77 113.55 120.07 3bkc h SER 74 Ca 0.31 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3bkc h SER 74 Cb 0.05 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3bkc h SER 74 CO -0.09 0.22 -0.29 0.54 -0.87 0.00 0.00 176.83 176.33 3bkc n ARG 75 N -4.41 1.14 -3.33 4.77 1.74 -0.42 -4.97 116.66 111.18 3bkc n ARG 75 Ca -0.01 -0.81 -0.18 0.00 -0.77 0.00 0.00 57.85 56.09 3bkc n ARG 75 Cb 0.16 -1.48 0.07 0.00 -1.02 0.00 0.00 32.46 30.19 3bkc n ARG 75 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3bkc n ASP 76 N -0.22 -4.34 -4.12 0.55 2.03 -0.47 -4.82 116.55 105.14 3bkc n ASP 76 Ca 0.12 -0.47 -0.19 0.00 0.52 0.00 0.00 54.79 54.77 3bkc n ASP 76 Cb 0.41 -4.31 -0.13 0.00 -0.72 0.00 0.00 41.12 36.36 3bkc n ASP 76 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3bkc s MET 77 N -5.75 0.84 0.10 -0.67 -1.94 -1.02 -1.55 119.30 109.31 3bkc s MET 77 Ca 0.31 -0.73 0.10 0.00 -1.71 0.00 0.00 55.69 53.66 3bkc s MET 77 Cb -0.14 -0.82 -0.03 0.00 2.01 0.00 0.00 34.83 35.85 3bkc s MET 77 CO 0.61 0.20 -0.25 0.08 -0.01 0.00 0.00 175.02 175.65 3bkc s VAL 78 N -0.88 2.05 0.17 -6.03 1.01 -0.38 -0.82 120.40 115.52 3bkc s VAL 78 Ca -0.00 -1.57 0.08 0.00 0.00 0.00 0.00 61.98 60.49 3bkc s VAL 78 Cb -0.08 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3bkc s VAL 78 CO 0.01 0.14 -0.16 -0.36 0.00 0.00 0.00 175.10 174.73 3bkc s PHE 79 N -0.99 1.69 -0.01 5.22 0.40 0.10 -0.22 117.98 124.17 3bkc s PHE 79 Ca 0.11 -0.53 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 3bkc s PHE 79 Cb -0.10 -0.83 0.01 0.00 0.51 0.00 0.00 43.02 42.62 3bkc s PHE 79 CO 0.04 0.30 0.00 1.41 0.70 0.00 0.00 175.22 177.68 3bkc s MET 80 N -3.09 0.08 -0.02 0.44 1.75 -0.35 -1.84 119.30 116.27 3bkc s MET 80 Ca 0.17 0.06 0.08 0.00 -1.25 0.00 0.00 55.69 54.74 3bkc s MET 80 Cb -0.04 -0.20 -0.02 0.00 2.84 0.00 0.00 34.83 37.41 3bkc s MET 80 CO 0.06 -0.07 -0.26 0.21 -0.65 0.00 0.00 175.02 174.31 3bkc s LYS 81 N 0.52 2.15 -0.12 4.11 2.20 -0.04 -0.36 119.74 128.20 3bkc s LYS 81 Ca -0.05 -0.92 -0.01 0.00 -0.36 0.00 0.00 55.97 54.64 3bkc s LYS 81 Cb -0.07 -2.06 0.03 0.00 -1.51 0.00 0.00 37.83 34.22 3bkc s LYS 81 CO -0.01 0.55 -0.06 0.42 -0.36 0.00 0.00 175.35 175.88 3bkc s ILE 82 N -0.58 0.96 0.53 5.43 1.01 -0.08 -1.55 121.20 126.91 3bkc s ILE 82 Ca 0.09 -0.29 -0.11 0.00 0.00 0.00 0.00 60.65 60.35 3bkc s ILE 82 Cb -0.10 -1.02 -0.05 0.00 0.01 0.00 0.00 42.46 41.30 3bkc s ILE 82 CO -0.01 0.32 0.92 0.42 0.00 0.00 0.00 174.94 176.60 3bkc s THR 82 N 1.73 4.72 -0.93 2.92 -4.23 -0.70 -0.60 115.64 118.56 3bkc s THR 82 Ca 0.04 0.77 -0.09 0.00 -1.18 0.00 0.00 61.69 61.24 3bkc s THR 82 Cb -0.13 -3.81 0.01 0.00 1.34 0.00 0.00 72.50 69.91 3bkc s THR 82 CO -0.08 -0.87 0.62 -1.20 -0.54 0.00 0.00 174.62 172.55 3bkc n SER 82 N -2.12 -4.67 -4.78 3.99 7.64 -1.13 -4.90 113.62 107.65 3bkc n SER 82 Ca 0.04 -1.06 -0.34 0.00 1.01 0.00 0.00 58.87 58.52 3bkc n SER 82 Cb 0.54 -1.67 -0.00 0.00 -1.01 0.00 0.00 64.21 62.07 3bkc n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3bkc s VAL 82 N -3.13 3.34 0.21 0.44 -7.23 -0.80 -4.56 120.40 108.67 3bkc s VAL 82 Ca 0.13 0.80 0.04 0.00 -1.81 0.00 0.00 61.98 61.14 3bkc s VAL 82 Cb -0.07 -3.31 -0.01 0.00 0.56 0.00 0.00 36.38 33.54 3bkc s VAL 82 CO 0.92 -0.21 0.14 -0.67 -0.31 0.00 0.00 175.10 174.97 3bkc n ASP 83 N -1.38 0.00 -0.33 4.85 2.03 -1.26 -0.51 116.55 119.96 3bkc n ASP 83 Ca 0.11 -2.29 0.21 0.00 0.52 0.00 0.00 54.79 53.34 3bkc n ASP 83 Cb 0.51 0.88 0.43 0.00 -0.72 0.00 0.00 41.12 42.22 3bkc n ASP 83 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3bkc h THR 84 N 1.57 0.31 0.00 5.18 2.02 -1.97 0.69 112.91 120.72 3bkc h THR 84 Ca -0.15 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.92 3bkc h THR 84 Cb 0.71 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3bkc h THR 84 CO 0.23 0.06 0.00 0.00 0.37 0.00 0.00 175.52 176.18 3bkc n ALA 85 N -2.39 1.40 1.44 6.16 0.00 -1.26 -2.32 120.51 123.54 3bkc n ALA 85 Ca 0.29 0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.92 3bkc n ALA 85 Cb 0.90 -1.24 0.52 0.00 0.00 0.00 0.00 19.45 19.62 3bkc n ALA 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3bkc n ASP 86 N -1.85 1.14 -4.66 0.00 8.00 0.24 -4.86 116.55 114.56 3bkc n ASP 86 Ca 0.01 -1.17 -0.42 0.00 0.71 0.00 0.00 54.79 53.92 3bkc n ASP 86 Cb 0.12 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 3bkc n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3bkc s THR 87 N -2.21 3.52 -0.09 -3.53 2.01 -0.98 -4.86 115.64 109.50 3bkc s THR 87 Ca 0.33 0.64 -0.32 0.00 0.31 0.00 0.00 61.69 62.65 3bkc s THR 87 Cb 0.20 -3.41 0.13 0.00 0.01 0.00 0.00 72.50 69.43 3bkc s THR 87 CO 0.41 -0.06 1.21 0.00 -0.69 0.00 0.00 174.62 175.50 3bkc s ALA 88 N 4.06 -2.11 -0.10 7.40 0.00 -0.43 -4.21 121.76 126.36 3bkc s ALA 88 Ca 0.75 1.13 -0.22 0.00 0.00 0.00 0.00 51.96 53.62 3bkc s ALA 88 Cb -0.34 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 3bkc s ALA 88 CO 0.31 -0.81 0.65 0.99 0.00 0.00 0.00 175.76 176.90 3bkc s THR 89 N -2.50 5.07 -0.22 0.00 2.01 -0.51 -0.28 115.64 119.21 3bkc s THR 89 Ca 0.11 1.31 -0.08 0.00 0.31 0.00 0.00 61.69 63.34 3bkc s THR 89 Cb 0.01 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 3bkc s THR 89 CO -0.04 0.24 0.08 -0.31 -0.69 0.00 0.00 174.62 173.89 3bkc s TYR 90 N 0.98 3.17 -0.09 4.92 2.02 0.19 -0.51 117.35 128.03 3bkc s TYR 90 Ca 0.34 -0.14 -0.01 0.00 -0.37 0.00 0.00 57.07 56.89 3bkc s TYR 90 Cb -0.17 -2.17 -0.03 0.00 -0.40 0.00 0.00 41.96 39.19 3bkc s TYR 90 CO 0.15 -0.10 -0.03 0.71 -1.57 0.00 0.00 175.55 174.71 3bkc s TYR 91 N 1.05 3.05 -0.06 2.71 2.02 0.61 -1.44 117.35 125.28 3bkc s TYR 91 Ca 0.04 0.03 -0.18 0.00 -0.37 0.00 0.00 57.07 56.60 3bkc s TYR 91 Cb -0.14 -1.80 -0.05 0.00 -0.40 0.00 0.00 41.96 39.57 3bkc s TYR 91 CO 0.03 0.31 0.48 0.00 -1.57 0.00 0.00 175.55 174.81 3bkc s ALA 93 N -0.01 0.58 0.13 0.00 0.00 -0.28 -0.80 121.76 121.39 3bkc s ALA 93 Ca 0.26 -0.01 -0.27 0.00 0.00 0.00 0.00 51.96 51.94 3bkc s ALA 93 Cb -0.16 -0.48 -0.07 0.00 0.00 0.00 0.00 23.12 22.41 3bkc s ALA 93 CO 0.12 -0.14 0.86 0.50 0.00 0.00 0.00 175.76 177.10 3bkc s ARG 94 N 1.21 4.64 -1.06 0.00 3.52 -0.47 -1.07 118.95 125.72 3bkc s ARG 94 Ca -0.07 1.27 -0.12 0.00 -0.13 0.00 0.00 55.73 56.69 3bkc s ARG 94 Cb -0.14 -3.33 0.23 0.00 -1.56 0.00 0.00 34.95 30.16 3bkc s ARG 94 CO -0.02 0.38 1.12 0.50 -0.81 0.00 0.00 175.30 176.47 3bkc s ARG 95 N -0.51 4.02 0.89 5.12 6.06 0.62 -2.69 118.95 132.46 3bkc s ARG 95 Ca 0.41 -2.82 -0.12 0.00 -2.50 0.00 0.00 55.73 50.70 3bkc s ARG 95 Cb -0.23 -4.67 0.17 0.00 0.06 0.00 0.00 34.95 30.28 3bkc s ARG 95 CO 0.27 -1.41 1.22 0.20 -2.50 0.00 0.00 175.30 173.09 3bkc s GLY 96 N 2.00 1.77 0.17 8.12 0.00 -0.49 -3.75 107.32 115.13 3bkc s GLY 96 Ca 0.31 -1.33 -0.24 0.00 0.00 0.00 0.00 44.72 43.46 3bkc s GLY 96 CO -0.07 -0.63 0.73 -0.11 0.00 0.00 0.00 173.10 173.03 3bkc s PHE 97 N -3.67 -0.34 -0.10 1.90 -0.71 -1.26 -1.67 117.98 112.13 3bkc s PHE 97 Ca 0.71 0.06 -0.17 0.00 -1.04 0.00 0.00 56.93 56.49 3bkc s PHE 97 Cb -0.04 0.61 -0.05 0.00 -1.21 0.00 0.00 43.02 42.33 3bkc s PHE 97 CO 0.50 -0.92 0.45 -0.47 -1.34 0.00 0.00 175.22 173.45 3bkc s TYR 98 N -3.63 3.55 0.00 3.49 5.04 -1.26 -4.91 117.35 119.63 3bkc s TYR 98 Ca 0.06 0.89 0.00 0.00 -2.44 0.00 0.00 57.07 55.58 3bkc s TYR 98 Cb -0.03 -2.48 0.00 0.00 0.35 0.00 0.00 41.96 39.80 3bkc s TYR 98 CO -0.04 0.27 0.00 0.41 -1.34 0.00 0.00 175.55 174.85 3bkc n GLY 99 N 2.98 0.64 0.11 8.97 0.00 -1.26 -1.59 105.19 115.05 3bkc n GLY 99 Ca -0.09 0.72 0.04 0.00 0.00 0.00 0.00 46.02 46.69 3bkc n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bkc n ARG 100 N 0.00 3.07 -2.16 1.61 3.00 -1.26 -4.84 116.66 116.08 3bkc n ARG 100 Ca 0.00 -0.34 -0.42 0.00 -0.01 0.00 0.00 57.85 57.08 3bkc n ARG 100 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 32.46 31.52 3bkc n ARG 100 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3bkc n LYS 100 N -0.60 3.54 0.32 5.56 4.76 -0.62 -4.78 118.16 126.34 3bkc n LYS 100 Ca 0.03 -3.30 0.20 0.00 -2.87 0.00 0.00 58.31 52.36 3bkc n LYS 100 Cb 0.14 -2.97 1.07 0.00 -1.84 0.00 0.00 35.03 31.43 3bkc n LYS 100 CO 0.00 0.00 0.00 0.10 -1.37 0.00 0.00 177.40 176.13 3bkc h TYR 100 N 5.69 0.00 0.00 2.13 -0.00 -1.88 -0.41 116.97 122.50 3bkc h TYR 100 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.19 3bkc h TYR 100 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.33 3bkc h TYR 100 CO 1.33 0.01 0.00 -0.85 -0.00 0.00 0.00 178.16 178.65 3bkc n GLU 100 N -3.25 0.17 -3.38 0.10 0.28 -1.26 -4.28 120.64 109.01 3bkc n GLU 100 Ca -0.02 0.25 -0.39 0.00 -0.16 0.00 0.00 57.16 56.84 3bkc n GLU 100 Cb 0.11 -1.74 -0.03 0.00 1.43 0.00 0.00 31.44 31.21 3bkc n GLU 100 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3bkc n VAL 100 N -2.05 3.96 -4.41 3.84 0.31 -0.16 -5.01 118.33 114.80 3bkc n VAL 100 Ca 0.04 -5.40 -0.23 0.00 -0.01 0.00 0.00 64.34 58.75 3bkc n VAL 100 Cb 0.32 -2.34 -0.10 0.00 -0.91 0.00 0.00 33.84 30.80 3bkc n VAL 100 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3bkc s ASN 100 N -0.34 3.18 -0.05 4.52 2.20 -1.26 -4.19 114.94 119.00 3bkc s ASN 100 Ca 0.31 -0.97 -0.31 0.00 -0.94 0.00 0.00 52.86 50.94 3bkc s ASN 100 Cb -0.03 -0.23 0.12 0.00 -2.00 0.00 0.00 41.25 39.11 3bkc s ASN 100 CO -0.05 -0.01 1.17 -1.38 -2.94 0.00 0.00 177.10 173.89 3bkc s HIS 100 N -2.40 -0.12 -1.08 1.54 -3.43 -0.67 -4.98 115.29 104.15 3bkc s HIS 100 Ca 0.24 -0.00 -0.16 0.00 -0.80 0.00 0.00 55.06 54.34 3bkc s HIS 100 Cb -0.05 0.55 0.16 0.00 -1.43 0.00 0.00 32.58 31.81 3bkc s HIS 100 CO 0.11 -0.37 1.27 -0.06 -2.00 0.00 0.00 174.74 173.70 3bkc s PHE 100 N -2.63 3.38 0.13 0.38 0.08 -1.26 -1.40 117.98 116.67 3bkc s PHE 100 Ca 0.11 -1.84 0.11 0.00 0.12 0.00 0.00 56.93 55.43 3bkc s PHE 100 Cb 0.01 -4.27 0.13 0.00 -0.57 0.00 0.00 43.02 38.32 3bkc s PHE 100 CO -0.04 -1.40 1.47 0.38 -0.10 0.00 0.00 175.22 175.53 3bkc h ASP 101 N 7.85 0.00 -3.86 1.36 2.03 -1.83 -3.45 116.42 118.52 3bkc h ASP 101 Ca 0.24 0.00 -0.33 0.00 -0.73 0.00 0.00 57.03 56.21 3bkc h ASP 101 Cb 0.94 0.00 -0.29 0.00 -0.83 0.00 0.00 39.33 39.15 3bkc h ASP 101 CO 1.16 0.72 -0.75 -0.31 -1.03 0.00 0.00 179.24 179.03 3bkc s TYR 102 N -3.15 0.47 0.05 4.15 2.02 -1.26 -5.04 117.35 114.60 3bkc s TYR 102 Ca 0.01 -0.09 0.06 0.00 -0.37 0.00 0.00 57.07 56.68 3bkc s TYR 102 Cb 0.11 -0.32 -0.02 0.00 -0.40 0.00 0.00 41.96 41.32 3bkc s TYR 102 CO 0.77 -0.02 -0.18 -1.58 -1.57 0.00 0.00 175.55 172.97 3bkc s TRP 103 N -0.01 1.60 0.99 2.71 0.52 -1.26 -1.37 118.94 122.12 3bkc s TRP 103 Ca 0.01 -0.37 -0.13 0.00 0.02 0.00 0.00 56.10 55.62 3bkc s TRP 103 Cb -0.03 -0.94 0.18 0.00 -1.15 0.00 0.00 33.47 31.53 3bkc s TRP 103 CO -0.00 0.08 1.12 0.20 0.02 0.00 0.00 176.95 178.37 3bkc s GLY 104 N -1.25 1.58 0.52 0.98 0.00 0.02 -4.75 107.32 104.43 3bkc s GLY 104 Ca 0.05 -0.55 0.25 0.00 0.00 0.00 0.00 44.72 44.47 3bkc s GLY 104 CO 0.02 0.09 2.09 -1.61 0.00 0.00 0.00 173.10 173.69 3bkc h GLN 105 N -1.81 0.00 0.00 2.90 4.15 -1.91 -3.46 115.11 114.98 3bkc h GLN 105 Ca -0.52 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.90 3bkc h GLN 105 Cb 1.33 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.02 3bkc h GLN 105 CO 0.56 0.11 0.00 0.41 -1.93 0.00 0.00 178.83 177.98 3bkc n GLY 106 N -0.90 0.32 3.17 2.39 0.00 -1.26 -5.03 105.19 103.89 3bkc n GLY 106 Ca -0.02 -1.66 -0.28 0.00 0.00 0.00 0.00 46.02 44.06 3bkc n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3bkc s THR 107 N -2.90 1.64 -0.02 2.61 -1.32 -0.52 -4.77 115.64 110.37 3bkc s THR 107 Ca 0.00 -0.83 -0.18 0.00 -1.21 0.00 0.00 61.69 59.48 3bkc s THR 107 Cb 0.00 -1.41 -0.05 0.00 -1.51 0.00 0.00 72.50 69.53 3bkc s THR 107 CO 0.00 0.47 0.50 -0.89 -2.21 0.00 0.00 174.62 172.48 3bkc s THR 108 N 0.05 4.98 -0.13 5.08 2.01 -1.26 -0.63 115.64 125.74 3bkc s THR 108 Ca -0.06 1.03 0.01 0.00 0.31 0.00 0.00 61.69 62.98 3bkc s THR 108 Cb -0.13 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 3bkc s THR 108 CO 0.03 0.47 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.06 3bkc s LEU 109 N -0.45 2.57 -0.16 4.42 2.96 0.62 -4.11 118.68 124.53 3bkc s LEU 109 Ca 0.27 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 3bkc s LEU 109 Cb -0.17 -1.57 0.01 0.00 0.50 0.00 0.00 46.19 44.96 3bkc s LEU 109 CO 0.14 0.15 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.25 3bkc s THR 110 N 0.42 2.30 -0.27 3.68 2.01 0.06 -1.32 115.64 122.53 3bkc s THR 110 Ca -0.11 -0.88 -0.09 0.00 0.31 0.00 0.00 61.69 60.91 3bkc s THR 110 Cb -0.16 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 3bkc s THR 110 CO 0.05 0.53 0.14 -0.69 -0.69 0.00 0.00 174.62 173.96 3bkc s VAL 111 N 1.03 4.83 -0.06 3.82 1.01 -1.26 -1.69 120.40 128.08 3bkc s VAL 111 Ca -0.02 -0.05 -0.24 0.00 0.00 0.00 0.00 61.98 61.68 3bkc s VAL 111 Cb -0.15 -3.31 0.05 0.00 0.00 0.00 0.00 36.38 32.97 3bkc s VAL 111 CO -0.05 0.25 0.54 -0.55 0.00 0.00 0.00 175.10 175.29 3bkc s SER 112 N 1.68 -0.49 0.00 3.32 0.15 -0.35 -4.71 113.70 113.30 3bkc s SER 112 Ca 0.06 0.57 0.29 0.00 0.70 0.00 0.00 55.95 57.57 3bkc s SER 112 Cb -0.16 0.56 1.33 0.00 -1.71 0.00 0.00 66.02 66.03 3bkc s SER 112 CO 0.08 -0.49 1.90 -1.54 1.20 0.00 0.00 173.24 174.39 3bkc n SER 113 N 1.32 0.91 -4.77 5.45 3.41 -1.26 -3.79 113.62 114.89 3bkc n SER 113 Ca -0.19 -1.23 -0.40 0.00 -0.26 0.00 0.00 58.87 56.79 3bkc n SER 113 Cb 0.56 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 3bkc n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bkc s ALA 114 N -2.07 3.42 0.76 7.33 0.00 -1.26 -5.05 121.76 124.90 3bkc s ALA 114 Ca 0.40 1.10 -0.12 0.00 0.00 0.00 0.00 51.96 53.34 3bkc s ALA 114 Cb 0.21 -3.41 0.05 0.00 0.00 0.00 0.00 23.12 19.97 3bkc s ALA 114 CO 0.37 -0.46 1.13 0.15 0.00 0.00 0.00 175.76 176.94 3bkc s LYS 115 N -1.75 2.38 0.13 0.00 1.02 -1.26 -4.99 119.74 115.27 3bkc s LYS 115 Ca 0.49 0.36 -0.34 0.00 0.02 0.00 0.00 55.97 56.49 3bkc s LYS 115 Cb -0.36 -1.98 -0.14 0.00 -0.52 0.00 0.00 37.83 34.83 3bkc s LYS 115 CO 0.47 -1.35 1.56 2.41 -0.92 0.00 0.00 175.35 177.51 3bkc n THR 116 N -3.20 0.04 -3.69 2.17 -1.04 -1.26 -4.70 114.28 102.60 3bkc n THR 116 Ca 0.07 -0.01 -0.19 0.00 -2.04 0.00 0.00 64.05 61.89 3bkc n THR 116 Cb 0.58 -1.44 -0.17 0.00 -1.82 0.00 0.00 70.33 67.49 3bkc n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3bkc s THR 117 N 1.08 -0.12 0.55 12.58 2.01 0.25 -4.95 115.64 127.04 3bkc s THR 117 Ca 0.81 0.38 -0.19 0.00 0.31 0.00 0.00 61.69 63.00 3bkc s THR 117 Cb -0.73 -0.17 -0.05 0.00 0.01 0.00 0.00 72.50 71.56 3bkc s THR 117 CO 0.41 0.16 1.13 0.00 -0.69 0.00 0.00 174.62 175.62 3bkc s ALA 118 N 2.01 2.68 0.63 7.40 0.00 -1.26 -0.73 121.76 132.48 3bkc s ALA 118 Ca 0.02 0.80 -0.13 0.00 0.00 0.00 0.00 51.96 52.65 3bkc s ALA 118 Cb -0.12 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 3bkc s ALA 118 CO -0.04 -0.81 1.05 -1.25 0.00 0.00 0.00 175.76 174.72 3bkc s PRO 119 N -3.36 3.26 -0.23 0.00 0.04 -1.26 -4.53 135.00 128.92 3bkc s PRO 119 Ca 0.72 1.02 -0.14 0.00 0.04 0.00 0.00 61.00 62.64 3bkc s PRO 119 Cb -0.23 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 3bkc s PRO 119 CO 0.28 -0.84 0.32 -1.12 0.04 0.00 0.00 177.00 175.68 3bkc s SER 120 N -3.39 6.30 -0.20 6.66 0.01 0.93 -4.90 113.70 119.11 3bkc s SER 120 Ca 0.60 0.34 -0.05 0.00 1.31 0.00 0.00 55.95 58.16 3bkc s SER 120 Cb -0.14 -2.19 -0.02 0.00 0.21 0.00 0.00 66.02 63.88 3bkc s SER 120 CO 0.46 -0.06 -0.01 -0.69 0.41 0.00 0.00 173.24 173.34 3bkc s VAL 121 N 1.40 3.82 -0.10 3.43 1.01 -1.26 -0.94 120.40 127.76 3bkc s VAL 121 Ca 0.15 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.79 3bkc s VAL 121 Cb -0.15 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.52 3bkc s VAL 121 CO 0.07 0.44 -0.18 -0.31 0.00 0.00 0.00 175.10 175.12 3bkc s TYR 122 N 1.00 2.11 0.21 5.22 2.02 0.55 -4.97 117.35 123.48 3bkc s TYR 122 Ca 0.01 -0.92 -0.30 0.00 -0.37 0.00 0.00 57.07 55.49 3bkc s TYR 122 Cb -0.14 -1.47 -0.08 0.00 -0.40 0.00 0.00 41.96 39.86 3bkc s TYR 122 CO 0.01 -0.43 1.07 -1.25 -1.57 0.00 0.00 175.55 173.39 3bkc s PRO 123 N 0.70 4.64 -0.36 -1.71 0.04 -1.26 -0.76 135.00 136.30 3bkc s PRO 123 Ca -0.12 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.62 3bkc s PRO 123 Cb -0.16 -3.26 0.09 0.00 0.04 0.00 0.00 34.50 31.22 3bkc s PRO 123 CO 0.03 0.18 0.10 -0.51 0.04 0.00 0.00 177.00 176.83 3bkc s LEU 124 N -0.75 4.77 0.26 -3.56 1.43 0.53 -4.94 118.68 116.42 3bkc s LEU 124 Ca 0.47 -1.94 -0.02 0.00 -1.03 0.00 0.00 54.13 51.61 3bkc s LEU 124 Cb -0.29 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 3bkc s LEU 124 CO 0.36 -0.42 0.48 0.00 0.23 0.00 0.00 176.35 177.00 3bkc s ALA 125 N 1.06 3.73 0.83 4.21 0.00 -1.26 -1.57 121.76 128.77 3bkc s ALA 125 Ca 0.06 -0.77 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 3bkc s ALA 125 Cb -0.21 -2.11 0.07 0.00 0.00 0.00 0.00 23.12 20.86 3bkc s ALA 125 CO -0.05 0.26 0.96 -2.30 0.00 0.00 0.00 175.76 174.63 3bkc n PRO 126 N -1.02 0.03 -1.67 0.00 -0.02 -1.26 -4.93 135.00 126.12 3bkc n PRO 126 Ca -0.04 0.08 -0.42 0.00 -2.02 0.00 0.00 63.50 61.10 3bkc n PRO 126 Cb 0.54 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3bkc n PRO 126 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3bkc n VAL 127 N -3.34 2.34 -0.08 -1.45 0.24 -1.26 -4.64 118.33 110.14 3bkc n VAL 127 Ca 0.12 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.34 61.88 3bkc n VAL 127 Cb 0.51 -1.43 -0.01 0.00 -1.47 0.00 0.00 33.84 31.44 3bkc n VAL 127 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3bkc n GLY 129 N 3.98 0.13 2.27 0.00 0.00 -1.26 -5.04 105.19 105.27 3bkc n GLY 129 Ca 0.04 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3bkc n GLY 129 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bkc n ASP 130 N 0.00 7.48 -2.50 1.61 8.00 -0.78 -3.90 116.55 126.46 3bkc n ASP 130 Ca 0.00 -2.71 -0.13 0.00 0.71 0.00 0.00 54.79 52.66 3bkc n ASP 130 Cb 0.00 -1.46 0.03 0.00 -0.02 0.00 0.00 41.12 39.67 3bkc n ASP 130 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3bkc n THR 131 N 2.70 1.77 -4.16 -3.53 -2.24 -1.26 -4.82 114.28 102.74 3bkc n THR 131 Ca 0.63 -3.63 -0.22 0.00 -2.27 0.00 0.00 64.05 58.56 3bkc n THR 131 Cb 0.45 0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 3bkc n THR 131 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3bkc s THR 132 N -4.18 3.88 0.00 4.28 -4.23 -1.25 -5.03 115.64 109.10 3bkc s THR 132 Ca 0.37 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 3bkc s THR 132 Cb 0.38 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 71.08 3bkc s THR 132 CO -0.02 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 3bkc n GLY 133 N -1.09 -0.80 0.13 3.99 0.00 -1.26 -4.74 105.19 101.43 3bkc n GLY 133 Ca -0.06 -1.69 0.12 0.00 0.00 0.00 0.00 46.02 44.39 3bkc n GLY 133 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3bkc h SER 134 N 0.00 0.00 -3.46 1.61 4.64 -1.97 -3.43 113.55 110.94 3bkc h SER 134 Ca 0.00 -0.06 -0.46 0.00 -0.47 0.00 0.00 61.79 60.80 3bkc h SER 134 Cb 0.00 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 61.93 3bkc h SER 134 CO 0.00 0.03 -0.75 -0.94 -0.87 0.00 0.00 176.83 174.30 3bkc s SER 135 N -5.07 2.49 -0.01 4.97 1.04 -1.26 0.51 113.70 116.38 3bkc s SER 135 Ca 0.06 -0.94 0.03 0.00 0.48 0.00 0.00 55.95 55.58 3bkc s SER 135 Cb 0.10 -0.13 -0.01 0.00 0.10 0.00 0.00 66.02 66.09 3bkc s SER 135 CO 0.69 -0.13 -0.09 0.54 0.98 0.00 0.00 173.24 175.23 3bkc s VAL 136 N -2.58 0.71 -0.12 5.02 0.11 0.24 -4.64 120.40 119.14 3bkc s VAL 136 Ca 0.18 -0.38 0.01 0.00 -2.93 0.00 0.00 61.98 58.86 3bkc s VAL 136 Cb -0.03 -0.60 -0.01 0.00 -1.53 0.00 0.00 36.38 34.21 3bkc s VAL 136 CO 0.06 0.20 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.97 3bkc s THR 137 N -0.18 2.64 0.31 5.04 2.01 -1.26 -1.09 115.64 123.11 3bkc s THR 137 Ca 0.03 -0.81 0.10 0.00 0.31 0.00 0.00 61.69 61.32 3bkc s THR 137 Cb -0.04 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 3bkc s THR 137 CO -0.00 0.54 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.64 3bkc s LEU 138 N 0.40 2.88 0.30 4.42 1.43 -0.27 -4.51 118.68 123.32 3bkc s LEU 138 Ca -0.13 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 51.99 3bkc s LEU 138 Cb -0.17 -1.29 -0.02 0.00 0.03 0.00 0.00 46.19 44.74 3bkc s LEU 138 CO 0.06 -0.13 0.33 -0.83 0.23 0.00 0.00 176.35 176.02 3bkc s GLY 139 N -3.64 1.67 -0.12 -3.19 0.00 -0.61 -1.10 107.32 100.32 3bkc s GLY 139 Ca 0.33 -1.68 -0.05 0.00 0.00 0.00 0.00 44.72 43.31 3bkc s GLY 139 CO 0.18 -1.21 0.26 0.00 0.00 0.00 0.00 173.10 172.33 3bkc s LEU 141 N 1.72 3.06 -0.41 0.00 2.96 0.06 -1.70 118.68 124.37 3bkc s LEU 141 Ca -0.05 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.65 3bkc s LEU 141 Cb -0.11 -1.74 0.11 0.00 0.50 0.00 0.00 46.19 44.95 3bkc s LEU 141 CO -0.09 0.12 0.14 -0.69 -1.32 0.00 0.00 176.35 174.51 3bkc s VAL 142 N 0.64 2.57 -0.04 1.68 1.01 0.38 -0.33 120.40 126.32 3bkc s VAL 142 Ca -0.03 -2.56 0.07 0.00 0.00 0.00 0.00 61.98 59.45 3bkc s VAL 142 Cb -0.15 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 3bkc s VAL 142 CO 0.02 -0.67 -0.25 -0.75 0.00 0.00 0.00 175.10 173.45 3bkc s LYS 143 N 0.61 2.32 0.00 2.72 2.20 -0.11 -1.06 119.74 126.42 3bkc s LYS 143 Ca 0.12 -0.90 0.00 0.00 -0.36 0.00 0.00 55.97 54.83 3bkc s LYS 143 Cb -0.21 -2.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.99 3bkc s LYS 143 CO -0.05 0.49 0.00 0.41 -0.36 0.00 0.00 175.35 175.84 3bkc n GLY 144 N 2.63 0.82 3.75 5.54 0.00 -0.16 -0.05 105.19 117.73 3bkc n GLY 144 Ca -0.17 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 44.92 3bkc n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bkc s TYR 145 N -2.70 2.95 -0.23 1.61 1.13 -0.84 -4.59 117.35 114.68 3bkc s TYR 145 Ca 0.00 -0.15 -0.19 0.00 -1.41 0.00 0.00 57.07 55.32 3bkc s TYR 145 Cb 0.00 -1.33 0.06 0.00 -1.10 0.00 0.00 41.96 39.60 3bkc s TYR 145 CO 0.00 0.56 0.59 0.12 -2.51 0.00 0.00 175.55 174.31 3bkc s PHE 146 N -2.18 -0.71 0.00 -3.49 5.36 0.09 0.01 117.98 117.05 3bkc s PHE 146 Ca 0.32 1.66 0.00 0.00 -0.96 0.00 0.00 56.93 57.95 3bkc s PHE 146 Cb -0.07 0.29 0.00 0.00 -0.34 0.00 0.00 43.02 42.90 3bkc s PHE 146 CO 0.23 -0.35 0.00 -0.35 -1.46 0.00 0.00 175.22 173.29 3bkc n PRO 147 N 3.14 1.05 -2.15 10.12 -0.04 -1.26 -0.58 135.00 145.28 3bkc n PRO 147 Ca -0.16 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.97 3bkc n PRO 147 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 3bkc n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3bkc s GLU 148 N -1.36 3.41 0.50 0.54 0.41 -1.26 -4.75 118.70 116.19 3bkc s GLU 148 Ca 0.00 1.25 0.08 0.00 -0.41 0.00 0.00 54.97 55.89 3bkc s GLU 148 Cb 0.00 -2.04 0.04 0.00 -1.78 0.00 0.00 34.13 30.34 3bkc s GLU 148 CO 0.00 -0.74 0.55 -1.25 -0.49 0.00 0.00 175.26 173.33 3bkc s PRO 149 N -3.87 2.43 0.22 0.39 0.04 -1.26 -4.96 135.00 127.99 3bkc s PRO 149 Ca 0.65 -1.65 0.11 0.00 0.04 0.00 0.00 61.00 60.14 3bkc s PRO 149 Cb -0.16 -2.45 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 3bkc s PRO 149 CO 0.33 -0.54 -0.15 0.14 0.04 0.00 0.00 177.00 176.82 3bkc s VAL 150 N -2.60 2.79 -0.18 -0.36 -7.23 -1.26 -4.33 120.40 107.24 3bkc s VAL 150 Ca 0.50 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.63 3bkc s VAL 150 Cb -0.05 -2.41 -0.02 0.00 0.56 0.00 0.00 36.38 34.46 3bkc s VAL 150 CO 0.31 -0.22 -0.03 0.42 -0.31 0.00 0.00 175.10 175.26 3bkc s THR 151 N -1.99 3.82 -0.08 5.32 -4.23 -0.23 -4.96 115.64 113.29 3bkc s THR 151 Ca 0.26 -0.37 0.04 0.00 -1.18 0.00 0.00 61.69 60.44 3bkc s THR 151 Cb -0.07 -2.69 -0.00 0.00 1.34 0.00 0.00 72.50 71.07 3bkc s THR 151 CO 0.14 0.47 -0.23 -0.22 -0.54 0.00 0.00 174.62 174.24 3bkc s LEU 152 N 0.68 2.02 0.24 4.79 0.20 -1.26 -1.06 118.68 124.30 3bkc s LEU 152 Ca -0.02 -0.50 0.02 0.00 0.69 0.00 0.00 54.13 54.32 3bkc s LEU 152 Cb -0.14 -1.30 -0.05 0.00 -0.43 0.00 0.00 46.19 44.26 3bkc s LEU 152 CO 0.02 0.17 0.05 0.42 -0.29 0.00 0.00 176.35 176.72 3bkc s THR 153 N 0.22 0.70 -0.09 3.68 -4.23 -0.35 -4.99 115.64 110.56 3bkc s THR 153 Ca -0.13 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.41 3bkc s THR 153 Cb -0.16 -2.47 -0.01 0.00 1.34 0.00 0.00 72.50 71.21 3bkc s THR 153 CO 0.06 -0.17 -0.21 0.26 -0.54 0.00 0.00 174.62 174.02 3bkc s TRP 154 N -3.65 2.59 -1.40 3.99 0.52 -1.26 -0.65 118.94 119.08 3bkc s TRP 154 Ca 0.33 -0.84 -0.01 0.00 0.02 0.00 0.00 56.10 55.61 3bkc s TRP 154 Cb 0.07 -1.71 0.00 0.00 -1.15 0.00 0.00 33.47 30.69 3bkc s TRP 154 CO 0.10 -0.29 0.46 0.09 0.02 0.00 0.00 176.95 177.33 3bkc n ASN 155 N 3.31 -0.50 -2.10 2.95 3.02 -0.43 -0.83 115.26 120.68 3bkc n ASN 155 Ca -0.18 -0.98 -0.12 0.00 -0.03 0.00 0.00 54.58 53.27 3bkc n ASN 155 Cb 0.53 -3.18 -0.02 0.00 -0.61 0.00 0.00 39.78 36.50 3bkc n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3bkc n SER 156 N -2.99 -3.52 0.00 6.41 7.64 -1.26 -0.74 113.62 119.16 3bkc n SER 156 Ca -0.30 0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.82 3bkc n SER 156 Cb 0.68 -3.10 0.00 0.00 -1.01 0.00 0.00 64.21 60.78 3bkc n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bkc n GLY 157 N -0.61 0.53 0.21 0.23 0.00 -0.01 -4.95 105.19 100.60 3bkc n GLY 157 Ca -0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.91 3bkc n GLY 157 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3bkc h SER 158 N 0.00 0.12 -3.05 1.61 4.64 -0.88 -3.36 113.55 112.62 3bkc h SER 158 Ca 0.00 -0.03 -0.74 0.00 -0.47 0.00 0.00 61.79 60.55 3bkc h SER 158 Cb 0.00 -0.03 -0.22 0.00 -0.31 0.00 0.00 62.40 61.84 3bkc h SER 158 CO 0.00 0.38 -0.12 -0.22 -0.87 0.00 0.00 176.83 176.00 3bkc s LEU 159 N -8.49 5.86 0.00 5.97 2.96 -1.02 -4.81 118.68 119.15 3bkc s LEU 159 Ca -0.04 -1.62 0.00 0.00 -0.22 0.00 0.00 54.13 52.25 3bkc s LEU 159 Cb 0.15 -2.24 0.00 0.00 0.50 0.00 0.00 46.19 44.59 3bkc s LEU 159 CO 0.73 -0.92 0.00 -1.54 -1.32 0.00 0.00 176.35 173.30 3bkc n SER 160 N 5.60 3.48 -4.80 3.68 3.41 -1.26 -4.20 113.62 119.54 3bkc n SER 160 Ca -0.12 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.14 3bkc n SER 160 Cb 0.41 0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 64.74 3bkc n SER 160 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3bkc s SER 161 N -2.12 7.10 -0.24 4.04 0.01 -1.26 -3.77 113.70 117.46 3bkc s SER 161 Ca 0.00 1.78 0.00 0.00 1.31 0.00 0.00 55.95 59.04 3bkc s SER 161 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 3bkc s SER 161 CO 0.00 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.02 3bkc n GLY 162 N -0.03 0.56 3.78 3.44 0.00 -1.26 -4.77 105.19 106.91 3bkc n GLY 162 Ca 0.05 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 3bkc n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bkc s VAL 163 N -1.97 5.29 -0.17 1.61 1.01 -1.25 -1.79 120.40 123.13 3bkc s VAL 163 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.52 3bkc s VAL 163 Cb 0.00 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.81 3bkc s VAL 163 CO 0.00 0.48 -0.11 -1.00 0.00 0.00 0.00 175.10 174.46 3bkc s HIS 164 N -0.16 2.22 -0.23 5.22 3.76 -0.01 -4.99 115.29 121.09 3bkc s HIS 164 Ca 0.17 -1.36 -0.04 0.00 -0.15 0.00 0.00 55.06 53.68 3bkc s HIS 164 Cb -0.14 -1.58 -0.00 0.00 1.11 0.00 0.00 32.58 31.97 3bkc s HIS 164 CO 0.06 -0.69 -0.03 0.99 -0.85 0.00 0.00 174.74 174.21 3bkc s THR 165 N 1.46 3.39 0.08 1.30 2.01 -1.26 -0.14 115.64 122.48 3bkc s THR 165 Ca 0.02 -0.58 -0.14 0.00 0.31 0.00 0.00 61.69 61.30 3bkc s THR 165 Cb -0.15 -2.59 -0.06 0.00 0.01 0.00 0.00 72.50 69.71 3bkc s THR 165 CO -0.09 0.35 0.47 -0.36 -0.69 0.00 0.00 174.62 174.30 3bkc s PHE 166 N 1.46 3.65 0.33 4.92 0.40 -0.12 -5.00 117.98 123.63 3bkc s PHE 166 Ca 0.05 0.99 -0.28 0.00 -0.60 0.00 0.00 56.93 57.09 3bkc s PHE 166 Cb -0.15 -2.30 -0.13 0.00 0.51 0.00 0.00 43.02 40.95 3bkc s PHE 166 CO -0.03 0.53 1.15 -2.30 0.70 0.00 0.00 175.22 175.27 3bkc n PRO 167 N 1.18 1.73 -1.95 0.24 -0.02 -1.26 -4.34 135.00 130.58 3bkc n PRO 167 Ca -0.09 0.61 -0.38 0.00 -2.02 0.00 0.00 63.50 61.62 3bkc n PRO 167 Cb 0.52 -2.10 0.03 0.00 -0.02 0.00 0.00 33.50 31.93 3bkc n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bkc s ALA 168 N -1.10 2.79 -0.06 3.55 0.00 -1.26 -4.84 121.76 120.84 3bkc s ALA 168 Ca 0.58 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.75 3bkc s ALA 168 Cb -0.62 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.00 3bkc s ALA 168 CO 0.61 -1.16 -0.19 0.08 0.00 0.00 0.00 175.76 175.10 3bkc s VAL 169 N -1.42 1.59 -0.11 0.00 1.01 -0.75 -4.97 120.40 115.76 3bkc s VAL 169 Ca 0.71 -0.79 -0.23 0.00 0.00 0.00 0.00 61.98 61.67 3bkc s VAL 169 Cb -0.35 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 3bkc s VAL 169 CO 0.41 0.45 0.70 -0.22 0.00 0.00 0.00 175.10 176.45 3bkc s LEU 170 N 0.15 4.26 -0.13 3.92 2.96 -1.26 -1.79 118.68 126.78 3bkc s LEU 170 Ca -0.08 1.12 -0.07 0.00 -0.22 0.00 0.00 54.13 54.88 3bkc s LEU 170 Cb -0.14 -3.06 0.05 0.00 0.50 0.00 0.00 46.19 43.54 3bkc s LEU 170 CO 0.04 -0.19 0.32 -1.58 -1.32 0.00 0.00 176.35 173.62 3bkc s GLN 171 N 1.21 0.28 -1.47 1.98 0.74 -0.17 -4.88 119.66 117.36 3bkc s GLN 171 Ca 0.36 0.65 -0.09 0.00 0.05 0.00 0.00 55.36 56.33 3bkc s GLN 171 Cb -0.17 -0.07 0.06 0.00 1.10 0.00 0.00 33.01 33.93 3bkc s GLN 171 CO 0.16 -0.17 0.88 0.43 -0.55 0.00 0.00 175.29 176.04 3bkc n SER 172 N 4.30 -3.59 0.00 6.67 7.64 -1.26 -2.17 113.62 125.21 3bkc n SER 172 Ca -0.24 -0.80 0.00 0.00 1.01 0.00 0.00 58.87 58.84 3bkc n SER 172 Cb 0.54 -3.89 0.00 0.00 -1.01 0.00 0.00 64.21 59.85 3bkc n SER 172 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3bkc n ASP 173 N -2.90 0.00 -4.40 6.43 9.92 -1.26 -4.98 116.55 119.36 3bkc n ASP 173 Ca -0.07 0.00 -0.21 0.00 -0.53 0.00 0.00 54.79 53.98 3bkc n ASP 173 Cb 0.57 -0.19 -0.10 0.00 -0.64 0.00 0.00 41.12 40.76 3bkc n ASP 173 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3bkc s LEU 174 N 0.00 2.57 0.06 0.64 1.43 -0.92 -4.52 118.68 117.94 3bkc s LEU 174 Ca 0.00 -1.03 -0.11 0.00 -1.03 0.00 0.00 54.13 51.96 3bkc s LEU 174 Cb 0.00 -0.85 -0.06 0.00 0.03 0.00 0.00 46.19 45.32 3bkc s LEU 174 CO 0.00 -0.10 0.39 -0.31 0.23 0.00 0.00 176.35 176.56 3bkc s TYR 175 N -2.79 3.61 -0.02 0.29 1.51 0.10 -0.99 117.35 119.06 3bkc s TYR 175 Ca 0.26 0.81 0.04 0.00 -1.01 0.00 0.00 57.07 57.17 3bkc s TYR 175 Cb -0.02 -2.17 -0.01 0.00 -0.11 0.00 0.00 41.96 39.65 3bkc s TYR 175 CO 0.10 0.55 -0.14 0.99 -1.11 0.00 0.00 175.55 175.95 3bkc s THR 176 N -1.32 1.10 0.08 -0.71 2.01 -0.74 -0.99 115.64 115.08 3bkc s THR 176 Ca 0.30 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 61.75 3bkc s THR 176 Cb -0.14 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 3bkc s THR 176 CO 0.17 0.32 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.13 3bkc s LEU 177 N -0.12 2.45 0.05 4.42 0.20 -0.22 -1.80 118.68 123.66 3bkc s LEU 177 Ca 0.01 -0.90 -0.05 0.00 0.69 0.00 0.00 54.13 53.88 3bkc s LEU 177 Cb -0.08 -0.08 -0.02 0.00 -0.43 0.00 0.00 46.19 45.59 3bkc s LEU 177 CO 0.00 -0.41 0.08 -0.94 -0.29 0.00 0.00 176.35 174.79 3bkc s SER 178 N -2.70 0.26 -0.03 3.68 1.04 -1.26 -0.47 113.70 114.22 3bkc s SER 178 Ca 0.07 -0.71 -0.08 0.00 0.48 0.00 0.00 55.95 55.71 3bkc s SER 178 Cb 0.02 0.24 0.01 0.00 0.10 0.00 0.00 66.02 66.39 3bkc s SER 178 CO -0.04 -0.59 0.17 -0.55 0.98 0.00 0.00 173.24 173.21 3bkc s SER 179 N -2.55 -0.08 0.11 7.02 0.15 -0.69 -0.94 113.70 116.73 3bkc s SER 179 Ca 0.01 0.06 0.10 0.00 0.70 0.00 0.00 55.95 56.82 3bkc s SER 179 Cb 0.03 0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 64.59 3bkc s SER 179 CO -0.08 -0.25 -0.24 -0.94 1.20 0.00 0.00 173.24 172.93 3bkc s SER 180 N -0.76 3.46 -0.02 5.45 1.04 0.81 -1.53 113.70 122.15 3bkc s SER 180 Ca -0.08 -0.67 0.03 0.00 0.48 0.00 0.00 55.95 55.70 3bkc s SER 180 Cb -0.05 -0.32 -0.00 0.00 0.10 0.00 0.00 66.02 65.75 3bkc s SER 180 CO 0.01 0.19 -0.09 0.54 0.98 0.00 0.00 173.24 174.87 3bkc s VAL 181 N -1.05 0.74 -0.14 5.02 0.11 -0.26 -0.83 120.40 124.00 3bkc s VAL 181 Ca 0.15 -0.36 0.03 0.00 -2.93 0.00 0.00 61.98 58.86 3bkc s VAL 181 Cb -0.10 -0.65 0.01 0.00 -1.53 0.00 0.00 36.38 34.11 3bkc s VAL 181 CO 0.07 0.23 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.95 3bkc s THR 182 N 0.04 2.07 0.34 5.04 2.01 -0.74 -1.12 115.64 123.28 3bkc s THR 182 Ca -0.00 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.05 3bkc s THR 182 Cb -0.06 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 3bkc s THR 182 CO 0.00 0.55 0.11 0.68 -0.69 0.00 0.00 174.62 175.27 3bkc s VAL 183 N 0.76 0.71 0.50 3.82 -7.23 -0.25 -4.69 120.40 114.02 3bkc s VAL 183 Ca -0.08 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 57.88 3bkc s VAL 183 Cb -0.16 -2.56 -0.07 0.00 0.56 0.00 0.00 36.38 34.15 3bkc s VAL 183 CO -0.01 0.00 1.09 0.42 -0.31 0.00 0.00 175.10 176.29 3bkc s THR 184 N -3.40 3.45 0.59 5.32 -4.23 -1.26 -0.59 115.64 115.52 3bkc s THR 184 Ca 0.32 0.93 0.29 0.00 -1.18 0.00 0.00 61.69 62.05 3bkc s THR 184 Cb 0.06 -3.39 0.36 0.00 1.34 0.00 0.00 72.50 70.86 3bkc s THR 184 CO 0.15 -0.17 2.08 -1.28 -0.54 0.00 0.00 174.62 174.86 3bkc h SER 185 N 1.51 0.00 0.21 3.99 0.87 -0.20 0.32 113.55 120.26 3bkc h SER 185 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 3bkc h SER 185 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 3bkc h SER 185 CO 0.58 0.00 -0.11 -1.54 -0.53 0.00 0.00 176.83 175.24 3bkc n SER 186 N -3.79 0.77 0.06 6.23 3.41 -1.26 -3.75 113.62 115.30 3bkc n SER 186 Ca 0.02 -0.90 -0.18 0.00 -0.26 0.00 0.00 58.87 57.56 3bkc n SER 186 Cb 0.36 -0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.17 3bkc n SER 186 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3bkc h THR 187 N 1.05 1.12 -3.99 6.66 2.02 -0.70 -3.43 112.91 115.63 3bkc h THR 187 Ca 0.00 -2.75 -0.37 0.00 0.77 0.00 0.00 66.41 64.07 3bkc h THR 187 Cb 0.38 2.76 -0.28 0.00 -1.74 0.00 0.00 68.15 69.27 3bkc h THR 187 CO 0.00 0.82 -0.77 0.86 0.37 0.00 0.00 175.52 176.80 3bkc s TRP 188 N -2.61 0.70 -1.70 3.16 -0.00 -1.22 -0.71 118.94 116.55 3bkc s TRP 188 Ca -0.10 -0.15 0.06 0.00 -0.00 0.00 0.00 56.10 55.91 3bkc s TRP 188 Cb 0.07 -0.45 0.20 0.00 -0.00 0.00 0.00 33.47 33.29 3bkc s TRP 188 CO 0.85 -0.01 1.08 -0.35 -0.00 0.00 0.00 176.95 178.52 3bkc n PRO 189 N 2.80 1.65 -0.27 5.86 -0.04 -1.26 -4.81 135.00 138.93 3bkc n PRO 189 Ca -0.14 -0.80 -0.00 0.00 -0.04 0.00 0.00 63.50 62.52 3bkc n PRO 189 Cb 0.57 -1.30 0.20 0.00 -0.04 0.00 0.00 33.50 32.93 3bkc n PRO 189 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3bkc h SER 190 N 1.22 0.96 -3.33 3.54 4.64 -1.82 -3.41 113.55 115.36 3bkc h SER 190 Ca 0.00 -0.03 -0.65 0.00 -0.47 0.00 0.00 61.79 60.64 3bkc h SER 190 Cb 0.44 -0.24 -0.12 0.00 -0.31 0.00 0.00 62.40 62.17 3bkc h SER 190 CO 0.03 0.70 -0.65 -1.61 -0.87 0.00 0.00 176.83 174.43 3bkc s GLU 191 N -5.94 2.60 0.03 4.77 2.02 0.11 -5.09 118.70 117.20 3bkc s GLU 191 Ca -0.12 -0.81 -0.30 0.00 0.02 0.00 0.00 54.97 53.76 3bkc s GLU 191 Cb 0.18 -2.57 -0.05 0.00 0.10 0.00 0.00 34.13 31.79 3bkc s GLU 191 CO 0.79 0.55 1.18 0.45 0.02 0.00 0.00 175.26 178.25 3bkc s SER 192 N -2.29 7.10 -0.09 -0.19 0.15 -1.26 -4.63 113.70 112.48 3bkc s SER 192 Ca 0.26 1.94 -0.00 0.00 0.70 0.00 0.00 55.95 58.84 3bkc s SER 192 Cb -0.12 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.64 3bkc s SER 192 CO 0.19 -0.47 -0.05 -0.63 1.20 0.00 0.00 173.24 173.47 3bkc s ILE 193 N 1.32 0.80 -0.05 6.45 1.01 -1.26 -5.00 121.20 124.47 3bkc s ILE 193 Ca 0.57 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 61.09 3bkc s ILE 193 Cb -0.28 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.34 3bkc s ILE 193 CO 0.27 0.32 -0.14 -0.89 0.00 0.00 0.00 174.94 174.51 3bkc s THR 194 N 1.65 1.24 -0.10 2.92 2.01 -1.26 -0.76 115.64 121.34 3bkc s THR 194 Ca 0.02 -0.59 -0.27 0.00 0.31 0.00 0.00 61.69 61.16 3bkc s THR 194 Cb -0.13 -1.09 -0.02 0.00 0.01 0.00 0.00 72.50 71.27 3bkc s THR 194 CO -0.06 0.37 0.89 0.00 -0.69 0.00 0.00 174.62 175.12 3bkc s ASN 196 N 1.04 4.44 -0.14 0.00 -0.87 0.18 -0.41 114.94 119.18 3bkc s ASN 196 Ca 0.44 -0.44 0.01 0.00 -1.57 0.00 0.00 52.86 51.30 3bkc s ASN 196 Cb -0.18 -1.76 0.02 0.00 -0.02 0.00 0.00 41.25 39.31 3bkc s ASN 196 CO 0.18 -0.04 -0.14 -0.69 -2.57 0.00 0.00 177.10 173.83 3bkc s VAL 197 N 1.48 1.56 -0.11 1.60 1.01 -0.18 -1.21 120.40 124.55 3bkc s VAL 197 Ca 0.05 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 3bkc s VAL 197 Cb -0.15 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 3bkc s VAL 197 CO -0.02 0.46 -0.06 0.00 0.00 0.00 0.00 175.10 175.48 3bkc s ALA 198 N 1.38 2.98 -0.41 5.51 0.00 -0.22 -1.03 121.76 129.96 3bkc s ALA 198 Ca 0.02 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.16 3bkc s ALA 198 Cb -0.13 -1.38 0.12 0.00 0.00 0.00 0.00 23.12 21.73 3bkc s ALA 198 CO -0.09 0.41 0.16 -1.58 0.00 0.00 0.00 175.76 174.66 3bkc s HIS 199 N -0.26 3.03 0.22 0.00 2.46 0.78 -1.07 115.29 120.45 3bkc s HIS 199 Ca 0.04 -2.82 -0.12 0.00 0.47 0.00 0.00 55.06 52.63 3bkc s HIS 199 Cb -0.13 -2.58 0.30 0.00 -0.13 0.00 0.00 32.58 30.04 3bkc s HIS 199 CO 0.02 -0.84 1.63 -1.35 -2.47 0.00 0.00 174.74 171.73 3bkc h PRO 200 N 7.14 0.03 -0.95 2.88 0.11 -1.80 -2.37 132.00 137.05 3bkc h PRO 200 Ca -0.06 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.15 3bkc h PRO 200 Cb 0.96 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 31.99 3bkc h PRO 200 CO 0.57 0.02 0.59 0.00 -0.21 0.00 0.00 178.00 178.96 3bkc h ALA 201 N 1.66 1.38 -0.33 -0.75 0.00 -1.91 -0.43 119.26 118.89 3bkc h ALA 201 Ca 0.34 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3bkc h ALA 201 Cb 0.54 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3bkc h ALA 201 CO -0.67 0.24 0.00 -1.13 0.00 0.00 0.00 179.25 177.69 3bkc n SER 202 N -4.63 2.54 -2.80 0.00 3.41 -0.93 -4.94 113.62 106.28 3bkc n SER 202 Ca 0.16 -1.89 -0.19 0.00 -0.26 0.00 0.00 58.87 56.69 3bkc n SER 202 Cb 0.29 -0.22 0.01 0.00 -0.26 0.00 0.00 64.21 64.03 3bkc n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3bkc n SER 203 N 0.89 -4.89 -4.54 4.04 7.64 -0.17 -4.99 113.62 111.60 3bkc n SER 203 Ca 0.17 -0.11 -0.30 0.00 1.01 0.00 0.00 58.87 59.64 3bkc n SER 203 Cb 0.45 -4.05 -0.11 0.00 -1.01 0.00 0.00 64.21 59.49 3bkc n SER 203 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3bkc s THR 204 N -2.93 3.22 -0.11 0.44 -4.23 -1.05 -5.00 115.64 105.98 3bkc s THR 204 Ca 0.17 -1.19 -0.04 0.00 -1.18 0.00 0.00 61.69 59.46 3bkc s THR 204 Cb -0.08 -2.45 0.06 0.00 1.34 0.00 0.00 72.50 71.36 3bkc s THR 204 CO 0.21 0.22 0.18 -0.54 -0.54 0.00 0.00 174.62 174.15 3bkc s LYS 205 N -1.87 0.07 0.08 3.99 1.02 -1.26 -0.16 119.74 121.61 3bkc s LYS 205 Ca 0.19 0.52 0.06 0.00 0.02 0.00 0.00 55.97 56.76 3bkc s LYS 205 Cb -0.11 -0.42 -0.03 0.00 -0.52 0.00 0.00 37.83 36.75 3bkc s LYS 205 CO 0.10 -0.36 -0.17 0.14 -0.92 0.00 0.00 175.35 174.14 3bkc s VAL 206 N 2.31 1.38 -0.06 3.17 -7.23 -0.20 -5.00 120.40 114.78 3bkc s VAL 206 Ca 0.03 -1.36 0.03 0.00 -1.81 0.00 0.00 61.98 58.87 3bkc s VAL 206 Cb -0.13 -1.28 -0.03 0.00 0.56 0.00 0.00 36.38 35.51 3bkc s VAL 206 CO -0.07 -0.11 -0.12 -1.81 -0.31 0.00 0.00 175.10 172.68 3bkc s ASP 207 N -1.70 4.24 -0.19 4.85 1.01 -1.26 -1.01 116.67 122.61 3bkc s ASP 207 Ca 0.02 -0.14 -0.01 0.00 0.71 0.00 0.00 52.55 53.13 3bkc s ASP 207 Cb -0.10 -0.97 0.05 0.00 1.01 0.00 0.00 42.92 42.92 3bkc s ASP 207 CO 0.03 0.35 -0.00 -0.54 0.21 0.00 0.00 175.17 175.21 3bkc s LYS 208 N -0.74 1.03 0.21 8.23 -0.14 0.45 -4.98 119.74 123.79 3bkc s LYS 208 Ca 0.11 -0.55 -0.30 0.00 -1.36 0.00 0.00 55.97 53.88 3bkc s LYS 208 Cb -0.11 -2.14 -0.09 0.00 -1.68 0.00 0.00 37.83 33.81 3bkc s LYS 208 CO 0.01 -0.57 1.24 0.21 -0.76 0.00 0.00 175.35 175.48 3bkc s LYS 209 N 1.71 4.45 -0.29 1.68 2.20 -1.26 -0.14 119.74 128.08 3bkc s LYS 209 Ca -0.01 1.97 -0.27 0.00 -0.36 0.00 0.00 55.97 57.29 3bkc s LYS 209 Cb -0.17 -3.20 0.01 0.00 -1.51 0.00 0.00 37.83 32.96 3bkc s LYS 209 CO -0.07 -0.14 0.97 0.42 -0.36 0.00 0.00 175.35 176.17 3bkc s ILE 210 N -0.16 4.65 0.03 5.43 -1.09 0.06 -4.85 121.20 125.27 3bkc s ILE 210 Ca 0.53 1.62 0.07 0.00 -2.23 0.00 0.00 60.65 60.65 3bkc s ILE 210 Cb -0.35 -4.30 -0.03 0.00 -1.58 0.00 0.00 42.46 36.20 3bkc s ILE 210 CO 0.39 -0.33 -0.19 0.68 -1.23 0.00 0.00 174.94 174.26 3bkc s VAL 211 N 3.31 2.73 0.27 2.92 -7.23 -1.26 -4.69 120.40 116.45 3bkc s VAL 211 Ca 0.41 -1.16 -0.29 0.00 -1.81 0.00 0.00 61.98 59.13 3bkc s VAL 211 Cb -0.13 -2.13 -0.14 0.00 0.56 0.00 0.00 36.38 34.53 3bkc s VAL 211 CO 0.12 0.37 1.07 -2.65 -0.31 0.00 0.00 175.10 173.70 3bkc n PRO 212 N 1.67 1.40 0.00 4.82 -0.02 -1.26 -4.65 135.00 136.96 3bkc n PRO 212 Ca -0.16 0.49 0.15 0.00 -2.02 0.00 0.00 63.50 61.96 3bkc n PRO 212 Cb 0.52 -1.91 0.83 0.00 -0.02 0.00 0.00 33.50 32.92 3bkc n PRO 212 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02