#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcv h PRO 31 N 0.00 0.22 -0.06 1.57 0.11 -2.04 -1.01 132.00 130.79 3kcv h PRO 31 Ca 0.00 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.96 3kcv h PRO 31 Cb 0.00 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 3kcv h PRO 31 CO 0.00 0.15 -0.57 1.25 -0.21 0.00 0.00 178.00 178.62 3kcv h LEU 32 N 0.23 0.22 0.05 2.35 5.85 -2.04 -1.11 115.31 120.85 3kcv h LEU 32 Ca 0.27 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3kcv h LEU 32 Cb 0.39 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 3kcv h LEU 32 CO -0.37 0.74 -0.03 0.50 -0.34 0.00 0.00 178.44 178.95 3kcv h LYS 33 N 0.15 -0.07 -0.48 1.25 3.64 -1.74 -1.50 116.57 117.82 3kcv h LYS 33 Ca -0.00 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.48 3kcv h LYS 33 Cb 1.05 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.80 3kcv h LYS 33 CO 0.09 -0.05 -0.03 1.15 -2.27 0.00 0.00 179.45 178.33 3kcv h THR 34 N -0.07 0.59 -0.86 1.00 2.02 -0.97 -0.46 112.91 114.16 3kcv h THR 34 Ca -0.00 -0.03 0.14 0.00 0.77 0.00 0.00 66.41 67.29 3kcv h THR 34 Cb 0.06 0.51 -0.09 0.00 -1.74 0.00 0.00 68.15 66.89 3kcv h THR 34 CO 0.00 0.01 0.47 0.15 0.37 0.00 0.00 175.52 176.52 3kcv h PHE 35 N 0.08 0.82 -0.22 3.16 3.57 -0.75 0.13 116.94 123.72 3kcv h PHE 35 Ca 0.24 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.61 3kcv h PHE 35 Cb 0.36 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.87 3kcv h PHE 35 CO -0.33 0.23 -0.48 1.88 -2.23 0.00 0.00 178.31 177.37 3kcv h TYR 36 N 0.68 0.91 0.00 0.41 0.05 -0.12 0.27 116.97 119.17 3kcv h TYR 36 Ca 0.46 -0.34 -0.05 0.00 0.05 0.00 0.00 58.73 58.86 3kcv h TYR 36 Cb 0.62 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.18 3kcv h TYR 36 CO -0.08 1.13 -0.23 -0.07 -1.05 0.00 0.00 178.16 177.86 3kcv h LEU 37 N 0.44 0.00 -0.10 3.88 3.38 -0.61 -0.56 115.31 121.75 3kcv h LEU 37 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3kcv h LEU 37 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3kcv h LEU 37 CO 0.11 0.23 -0.24 0.00 0.09 0.00 0.00 178.44 178.63 3kcv h ALA 38 N 1.77 0.16 -0.85 1.53 0.00 -0.45 -1.05 119.26 120.37 3kcv h ALA 38 Ca -0.00 -0.39 0.07 0.00 0.00 0.00 0.00 54.91 54.59 3kcv h ALA 38 Cb 0.47 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 3kcv h ALA 38 CO 0.03 0.14 0.52 0.82 0.00 0.00 0.00 179.25 180.76 3kcv h ILE 39 N -0.11 1.01 -0.37 0.00 2.04 -0.72 -1.14 117.51 118.22 3kcv h ILE 39 Ca -0.00 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 3kcv h ILE 39 Cb 0.84 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3kcv h ILE 39 CO 0.05 0.17 -0.10 0.74 0.00 0.00 0.00 178.15 179.01 3kcv h THR 40 N 0.94 1.24 -0.45 -0.27 2.02 -0.97 -0.75 112.91 114.66 3kcv h THR 40 Ca 0.38 -1.07 -0.10 0.00 0.77 0.00 0.00 66.41 66.40 3kcv h THR 40 Cb 0.21 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 3kcv h THR 40 CO -0.19 0.36 -0.11 0.00 0.37 0.00 0.00 175.52 175.95 3kcv h ALA 41 N 1.31 0.96 -0.48 6.16 0.00 -0.93 0.20 119.26 126.49 3kcv h ALA 41 Ca 0.11 -0.32 0.10 0.00 0.00 0.00 0.00 54.91 54.79 3kcv h ALA 41 Cb 0.52 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.04 3kcv h ALA 41 CO 0.03 0.61 -0.10 0.78 0.00 0.00 0.00 179.25 180.57 3kcv h GLY 42 N 0.97 0.36 0.96 0.00 0.00 0.09 0.22 103.07 105.67 3kcv h GLY 42 Ca 0.12 0.14 -0.16 0.00 0.00 0.00 0.00 47.33 47.44 3kcv h GLY 42 CO 0.04 -0.18 -0.51 -2.08 0.00 0.00 0.00 176.54 173.81 3kcv h VAL 43 N 0.01 1.33 -0.47 4.60 2.07 -1.01 -2.27 116.25 120.52 3kcv h VAL 43 Ca 0.23 -1.77 0.10 0.00 0.82 0.00 0.00 66.70 66.08 3kcv h VAL 43 Cb 0.35 2.01 -0.10 0.00 -1.52 0.00 0.00 31.29 32.04 3kcv h VAL 43 CO -0.48 0.54 -0.19 -0.26 0.02 0.00 0.00 177.57 177.21 3kcv h PHE 44 N 0.28 -0.46 0.00 1.57 -1.00 -0.17 -0.14 116.94 117.01 3kcv h PHE 44 Ca -0.02 0.05 -0.09 0.00 2.81 0.00 0.00 57.97 60.72 3kcv h PHE 44 Cb 1.13 0.28 -0.01 0.00 3.61 0.00 0.00 35.95 40.96 3kcv h PHE 44 CO 0.10 -0.28 -0.43 0.82 -1.61 0.00 0.00 178.31 176.91 3kcv h ILE 45 N -0.09 1.00 -0.30 -0.55 5.03 -0.56 -1.76 117.51 120.29 3kcv h ILE 45 Ca 0.22 -1.68 -0.13 0.00 -0.12 0.00 0.00 64.86 63.15 3kcv h ILE 45 Cb 0.43 2.00 -0.00 0.00 -3.03 0.00 0.00 36.82 36.22 3kcv h ILE 45 CO -0.53 0.43 -0.33 0.28 -0.68 0.00 0.00 178.15 177.32 3kcv h SER 46 N 0.00 0.81 -0.62 1.72 0.02 -0.94 -2.03 113.55 112.51 3kcv h SER 46 Ca -0.00 -0.48 0.06 0.00 -0.84 0.00 0.00 61.79 60.52 3kcv h SER 46 Cb 0.96 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.24 3kcv h SER 46 CO 0.06 1.13 0.41 0.40 -1.14 0.00 0.00 176.83 177.69 3kcv h ILE 47 N 0.51 1.02 0.44 3.27 2.04 -0.85 0.58 117.51 124.51 3kcv h ILE 47 Ca 0.04 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 3kcv h ILE 47 Cb 0.91 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 3kcv h ILE 47 CO 0.08 0.12 -0.50 0.00 0.00 0.00 0.00 178.15 177.84 3kcv h ALA 48 N 1.66 -1.13 -0.33 1.87 0.00 -0.91 -1.63 119.26 118.79 3kcv h ALA 48 Ca 0.27 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3kcv h ALA 48 Cb 0.24 0.76 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3kcv h ALA 48 CO -0.08 -1.17 0.06 0.74 0.00 0.00 0.00 179.25 178.79 3kcv h PHE 49 N -0.96 0.49 -0.14 0.00 0.04 -0.79 -2.08 116.94 113.50 3kcv h PHE 49 Ca -0.05 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.67 3kcv h PHE 49 Cb 0.85 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.84 3kcv h PHE 49 CO -0.28 0.45 0.04 0.28 -0.60 0.00 0.00 178.31 178.20 3kcv h VAL 50 N 0.47 1.18 -0.97 -0.55 2.07 -0.78 -0.94 116.25 116.74 3kcv h VAL 50 Ca 0.11 -0.57 0.14 0.00 0.82 0.00 0.00 66.70 67.20 3kcv h VAL 50 Cb 0.22 1.29 -0.08 0.00 -1.52 0.00 0.00 31.29 31.20 3kcv h VAL 50 CO 0.00 0.17 0.61 0.15 0.02 0.00 0.00 177.57 178.53 3kcv h PHE 51 N 0.05 1.03 -0.10 1.57 3.57 -1.02 0.33 116.94 122.36 3kcv h PHE 51 Ca 0.05 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3kcv h PHE 51 Cb 0.23 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 3kcv h PHE 51 CO 0.00 0.36 0.04 -0.92 -2.23 0.00 0.00 178.31 175.56 3kcv h TYR 52 N 0.85 0.16 -0.54 0.41 3.20 -0.97 0.26 116.97 120.34 3kcv h TYR 52 Ca 0.50 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.32 3kcv h TYR 52 Cb 0.66 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.86 3kcv h TYR 52 CO -0.00 0.27 0.17 0.82 -1.64 0.00 0.00 178.16 177.77 3kcv h ILE 53 N 0.00 1.21 -0.15 1.81 1.08 -0.19 -1.63 117.51 119.64 3kcv h ILE 53 Ca 0.03 -0.73 -0.03 0.00 -0.39 0.00 0.00 64.86 63.75 3kcv h ILE 53 Cb 0.18 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 3kcv h ILE 53 CO -0.00 0.28 -0.02 0.74 -0.69 0.00 0.00 178.15 178.45 3kcv h THR 54 N 0.78 1.28 -0.00 -0.27 2.02 -0.72 -1.55 112.91 114.45 3kcv h THR 54 Ca 0.18 -0.93 -0.04 0.00 0.77 0.00 0.00 66.41 66.38 3kcv h THR 54 Cb 0.23 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 3kcv h THR 54 CO -0.01 0.28 -0.21 0.00 0.37 0.00 0.00 175.52 175.95 3kcv h ALA 55 N 0.73 1.65 -0.51 6.16 0.00 -0.66 -3.19 119.26 123.45 3kcv h ALA 55 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3kcv h ALA 55 Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3kcv h ALA 55 CO 0.01 0.26 0.00 0.25 0.00 0.00 0.00 179.25 179.77 3kcv n THR 56 N -4.29 0.77 -2.53 0.00 -2.24 -0.64 -4.89 114.28 100.46 3kcv n THR 56 Ca -0.02 -0.88 -0.41 0.00 -2.27 0.00 0.00 64.05 60.46 3kcv n THR 56 Cb 0.27 0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 69.17 3kcv n THR 56 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3kcv s THR 57 N -1.17 3.89 -1.26 4.28 -1.32 -0.60 -3.40 115.64 116.07 3kcv s THR 57 Ca 0.39 1.64 0.00 0.00 -1.21 0.00 0.00 61.69 62.51 3kcv s THR 57 Cb 0.21 -4.05 0.00 0.00 -1.51 0.00 0.00 72.50 67.16 3kcv s THR 57 CO 0.29 0.28 0.00 0.61 -2.21 0.00 0.00 174.62 173.59 3kcv n GLY 58 N 2.03 -0.19 2.18 6.08 0.00 -1.26 -4.89 105.19 109.13 3kcv n GLY 58 Ca 0.02 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 3kcv n GLY 58 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kcv n THR 59 N -3.98 3.33 -0.02 2.61 -2.24 -1.22 -4.61 114.28 108.15 3kcv n THR 59 Ca -0.17 -2.82 -0.03 0.00 -2.27 0.00 0.00 64.05 58.76 3kcv n THR 59 Cb 0.63 -0.93 0.22 0.00 -2.10 0.00 0.00 70.33 68.15 3kcv n THR 59 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3kcv h GLY 60 N 1.70 0.63 1.79 3.38 0.00 -1.90 -3.12 103.07 105.55 3kcv h GLY 60 Ca 0.56 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3kcv h GLY 60 CO 1.30 0.41 -0.21 -0.91 0.00 0.00 0.00 176.54 177.13 3kcv h THR 61 N 0.53 0.00 -3.95 4.70 1.35 -2.02 -3.47 112.91 110.06 3kcv h THR 61 Ca 0.10 -0.93 -0.48 0.00 -0.55 0.00 0.00 66.41 64.55 3kcv h THR 61 Cb 0.51 1.83 0.01 0.00 -1.73 0.00 0.00 68.15 68.77 3kcv h THR 61 CO 0.03 0.00 0.40 -0.04 -0.25 0.00 0.00 175.52 175.66 3kcv s MET 62 N -3.23 4.28 -0.31 4.72 1.00 -1.18 -4.97 119.30 119.60 3kcv s MET 62 Ca 0.06 1.46 -0.41 0.00 0.00 0.00 0.00 55.69 56.79 3kcv s MET 62 Cb 0.07 -2.60 -0.17 0.00 0.00 0.00 0.00 34.83 32.13 3kcv s MET 62 CO 0.69 -0.03 1.70 -2.30 0.00 0.00 0.00 175.02 175.08 3kcv n PRO 63 N 0.08 0.92 -0.37 2.03 -0.02 -1.26 -4.85 135.00 131.52 3kcv n PRO 63 Ca 0.04 0.34 -0.06 0.00 -2.02 0.00 0.00 63.50 61.80 3kcv n PRO 63 Cb 0.50 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 3kcv n PRO 63 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3kcv h PHE 64 N 6.69 -1.44 -0.59 6.00 3.57 -1.93 -1.54 116.94 127.70 3kcv h PHE 64 Ca -0.46 0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.08 3kcv h PHE 64 Cb 1.33 0.76 -0.02 0.00 2.79 0.00 0.00 35.95 40.81 3kcv h PHE 64 CO 0.74 -0.39 0.08 0.78 -2.23 0.00 0.00 178.31 177.29 3kcv h GLY 65 N -0.03 1.02 0.92 2.40 0.00 -1.95 -1.87 103.07 103.55 3kcv h GLY 65 Ca 0.25 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 3kcv h GLY 65 CO -0.93 0.61 0.09 -0.33 0.00 0.00 0.00 176.54 175.98 3kcv h MET 66 N 0.89 0.57 -0.32 4.80 2.86 -1.68 0.77 114.93 122.83 3kcv h MET 66 Ca 0.18 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3kcv h MET 66 Cb 0.41 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3kcv h MET 66 CO 0.01 0.62 0.16 0.00 1.06 0.00 0.00 176.91 178.76 3kcv h ALA 67 N 0.93 0.42 -0.18 6.32 0.00 -1.22 -1.72 119.26 123.80 3kcv h ALA 67 Ca 0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3kcv h ALA 67 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3kcv h ALA 67 CO 0.00 -0.03 -0.05 0.87 0.00 0.00 0.00 179.25 180.04 3kcv h LYS 68 N 0.39 0.35 -0.39 0.00 6.56 -1.29 -1.21 116.57 120.97 3kcv h LYS 68 Ca 0.11 -0.14 0.08 0.00 -1.06 0.00 0.00 60.65 59.65 3kcv h LYS 68 Cb 0.10 -0.02 -0.09 0.00 -0.57 0.00 0.00 32.23 31.65 3kcv h LYS 68 CO -0.02 0.62 -0.30 1.25 -2.06 0.00 0.00 179.45 178.95 3kcv h LEU 69 N 0.06 -1.00 -0.90 2.94 5.85 -0.78 0.59 115.31 122.06 3kcv h LEU 69 Ca 0.04 0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.98 3kcv h LEU 69 Cb 0.50 0.48 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 3kcv h LEU 69 CO 0.02 -0.31 0.58 0.58 -0.34 0.00 0.00 178.44 178.98 3kcv h VAL 70 N -0.23 1.16 0.00 1.05 2.07 -1.22 -0.65 116.25 118.43 3kcv h VAL 70 Ca 0.18 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 3kcv h VAL 70 Cb 0.52 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3kcv h VAL 70 CO -0.52 0.21 -0.18 1.23 0.02 0.00 0.00 177.57 178.32 3kcv h GLY 71 N 1.14 0.00 1.51 2.17 0.00 -0.15 -1.95 103.07 105.79 3kcv h GLY 71 Ca 0.35 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.40 3kcv h GLY 71 CO -0.11 0.00 -1.33 -1.33 0.00 0.00 0.00 176.54 173.77 3kcv h GLY 72 N 1.01 0.35 0.54 4.60 0.00 -0.01 -0.07 103.07 109.49 3kcv h GLY 72 Ca -0.00 -0.89 0.10 0.00 0.00 0.00 0.00 47.33 46.53 3kcv h GLY 72 CO 0.02 0.78 0.58 -2.22 0.00 0.00 0.00 176.54 175.70 3kcv h ILE 73 N 0.08 0.95 -0.13 2.60 2.04 -0.73 -2.93 117.51 119.38 3kcv h ILE 73 Ca -0.17 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 3kcv h ILE 73 Cb 2.01 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.99 3kcv h ILE 73 CO 0.21 0.17 -0.05 0.00 0.00 0.00 0.00 178.15 178.48 3kcv h PHE 75 N -0.06 0.05 0.00 0.00 3.57 -0.82 -2.21 116.94 117.47 3kcv h PHE 75 Ca 0.03 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3kcv h PHE 75 Cb 0.50 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.22 3kcv h PHE 75 CO 0.06 0.02 0.00 -1.13 -2.23 0.00 0.00 178.31 175.03 3kcv n SER 76 N -4.34 0.00 -0.21 0.41 3.41 -1.20 -1.58 113.62 110.11 3kcv n SER 76 Ca 0.15 0.49 -0.00 0.00 -0.26 0.00 0.00 58.87 59.24 3kcv n SER 76 Cb 0.79 -0.49 0.07 0.00 -0.26 0.00 0.00 64.21 64.31 3kcv n SER 76 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3kcv h LEU 77 N 0.00 -0.52 -0.43 1.04 6.46 -1.64 -0.35 115.31 119.87 3kcv h LEU 77 Ca 0.00 0.18 0.06 0.00 -0.12 0.00 0.00 57.88 58.00 3kcv h LEU 77 Cb 0.08 0.36 -0.05 0.00 -0.73 0.00 0.00 40.66 40.33 3kcv h LEU 77 CO 0.00 -0.19 0.13 1.23 -0.62 0.00 0.00 178.44 178.99 3kcv h GLY 78 N 0.02 0.55 1.40 3.75 0.00 -1.44 0.17 103.07 107.52 3kcv h GLY 78 Ca 0.30 -0.07 -0.22 0.00 0.00 0.00 0.00 47.33 47.35 3kcv h GLY 78 CO -0.62 0.00 -0.84 -2.00 0.00 0.00 0.00 176.54 173.09 3kcv h LEU 79 N 0.29 0.69 -0.41 3.11 5.85 -1.53 -1.65 115.31 121.66 3kcv h LEU 79 Ca 0.20 -0.49 -0.06 0.00 0.84 0.00 0.00 57.88 58.38 3kcv h LEU 79 Cb 0.21 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3kcv h LEU 79 CO -0.23 1.27 0.04 0.40 -0.34 0.00 0.00 178.44 179.58 3kcv h ILE 80 N 0.36 1.25 -0.75 4.05 2.04 -0.94 -1.43 117.51 122.09 3kcv h ILE 80 Ca -0.06 -0.94 0.08 0.00 1.00 0.00 0.00 64.86 64.94 3kcv h ILE 80 Cb 1.45 1.06 -0.07 0.00 -0.74 0.00 0.00 36.82 38.53 3kcv h ILE 80 CO 0.16 0.32 0.42 0.25 0.00 0.00 0.00 178.15 179.29 3kcv h LEU 81 N 0.54 0.60 0.55 1.44 5.85 -0.57 -1.06 115.31 122.67 3kcv h LEU 81 Ca 0.12 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 3kcv h LEU 81 Cb 0.42 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.38 3kcv h LEU 81 CO 0.01 0.36 -0.27 0.00 -0.34 0.00 0.00 178.44 178.21 3kcv n VAL 83 N -5.37 0.00 -0.30 0.00 0.31 -0.58 -0.89 118.33 111.50 3kcv n VAL 83 Ca -0.12 1.43 0.02 0.00 -0.01 0.00 0.00 64.34 65.66 3kcv n VAL 83 Cb 0.32 -2.29 0.09 0.00 -0.91 0.00 0.00 33.84 31.06 3kcv n VAL 83 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3kcv h VAL 84 N 0.00 0.15 -0.19 2.52 2.07 -1.26 0.62 116.25 120.15 3kcv h VAL 84 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3kcv h VAL 84 Cb 0.00 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 3kcv h VAL 84 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3kcv n GLY 86 N 1.09 0.77 3.78 0.00 0.00 0.21 -5.00 105.19 106.03 3kcv n GLY 86 Ca 0.15 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 3kcv n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcv s ALA 87 N -2.10 2.77 -0.54 4.61 0.00 -0.07 -4.95 121.76 121.48 3kcv s ALA 87 Ca 0.00 0.80 -0.08 0.00 0.00 0.00 0.00 51.96 52.68 3kcv s ALA 87 Cb 0.00 -3.34 0.14 0.00 0.00 0.00 0.00 23.12 19.91 3kcv s ALA 87 CO 0.00 -0.67 0.41 0.34 0.00 0.00 0.00 175.76 175.84 3kcv s ASP 88 N -1.74 5.73 -0.20 0.00 2.15 -0.61 -4.59 116.67 117.40 3kcv s ASP 88 Ca 0.70 -2.18 -0.21 0.00 0.43 0.00 0.00 52.55 51.28 3kcv s ASP 88 Cb -0.23 -2.00 -0.02 0.00 -0.30 0.00 0.00 42.92 40.37 3kcv s ASP 88 CO 0.27 -0.61 0.66 -0.22 -0.17 0.00 0.00 175.17 175.09 3kcv s LEU 89 N 0.95 4.14 -0.30 -1.34 2.96 -1.26 -3.91 118.68 119.91 3kcv s LEU 89 Ca 0.09 0.87 -0.32 0.00 -0.22 0.00 0.00 54.13 54.56 3kcv s LEU 89 Cb -0.23 -2.94 -0.14 0.00 0.50 0.00 0.00 46.19 43.38 3kcv s LEU 89 CO -0.02 -0.30 1.06 0.33 -1.32 0.00 0.00 176.35 176.09 3kcv n PHE 90 N 5.15 1.12 -0.19 5.38 7.35 -1.26 -0.37 117.46 134.64 3kcv n PHE 90 Ca -0.00 0.78 0.00 0.00 -0.76 0.00 0.00 57.45 57.47 3kcv n PHE 90 Cb 0.49 -1.52 0.00 0.00 0.35 0.00 0.00 39.48 38.80 3kcv n PHE 90 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 3kcv n THR 91 N 2.54 0.00 -0.27 -2.13 -1.04 -1.26 -4.74 114.28 107.38 3kcv n THR 91 Ca 0.20 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.16 3kcv n THR 91 Cb -0.03 -0.19 0.08 0.00 -1.82 0.00 0.00 70.33 68.37 3kcv n THR 91 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3kcv h SER 92 N 0.00 1.07 -0.88 8.00 4.64 -1.08 -1.42 113.55 123.88 3kcv h SER 92 Ca 0.00 -0.18 -0.52 0.00 -0.47 0.00 0.00 61.79 60.62 3kcv h SER 92 Cb 0.00 -0.28 -0.27 0.00 -0.31 0.00 0.00 62.40 61.54 3kcv h SER 92 CO 0.00 0.96 0.67 0.35 -0.87 0.00 0.00 176.83 177.94 3kcv n THR 93 N -4.27 3.16 0.11 2.95 -2.24 -1.25 -4.42 114.28 108.32 3kcv n THR 93 Ca 0.07 -2.10 0.00 0.00 -2.27 0.00 0.00 64.05 59.75 3kcv n THR 93 Cb 0.20 -0.81 0.30 0.00 -2.10 0.00 0.00 70.33 67.92 3kcv n THR 93 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3kcv h VAL 94 N 0.93 1.26 0.00 2.28 3.04 -1.59 -1.24 116.25 120.93 3kcv h VAL 94 Ca 0.55 -1.21 -0.05 0.00 -1.01 0.00 0.00 66.70 64.98 3kcv h VAL 94 Cb 1.89 1.50 -0.01 0.00 -2.01 0.00 0.00 31.29 32.66 3kcv h VAL 94 CO 1.16 0.36 -0.25 -0.07 -1.01 0.00 0.00 177.57 177.77 3kcv h LEU 95 N 0.19 0.00 0.12 3.16 3.38 -1.84 -2.16 115.31 118.16 3kcv h LEU 95 Ca 0.03 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 3kcv h LEU 95 Cb 0.63 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.40 3kcv h LEU 95 CO 0.05 0.25 -0.67 0.40 0.09 0.00 0.00 178.44 178.56 3kcv h ILE 96 N 0.00 1.57 0.00 1.22 5.03 -1.63 -0.68 117.51 123.02 3kcv h ILE 96 Ca -0.00 -2.51 0.00 0.00 -0.12 0.00 0.00 64.86 62.23 3kcv h ILE 96 Cb 0.54 3.24 0.00 0.00 -3.03 0.00 0.00 36.82 37.57 3kcv h ILE 96 CO 0.03 0.70 0.00 0.52 -0.68 0.00 0.00 178.15 178.73 3kcv n VAL 97 N -4.21 1.58 -0.11 1.67 0.31 -0.83 -0.60 118.33 116.14 3kcv n VAL 97 Ca -0.13 0.60 -0.24 0.00 -0.01 0.00 0.00 64.34 64.56 3kcv n VAL 97 Cb 0.76 -1.60 -0.08 0.00 -0.91 0.00 0.00 33.84 32.01 3kcv n VAL 97 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3kcv n VAL 98 N -1.82 1.22 1.72 2.52 0.31 -0.83 -4.55 118.33 116.91 3kcv n VAL 98 Ca -0.01 -0.30 0.15 0.00 -0.01 0.00 0.00 64.34 64.17 3kcv n VAL 98 Cb 0.02 -1.81 0.79 0.00 -0.91 0.00 0.00 33.84 31.93 3kcv n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kcv n ALA 99 N -4.00 2.66 -0.05 3.52 0.00 -0.27 -1.44 120.51 120.93 3kcv n ALA 99 Ca -0.43 -0.24 -0.18 0.00 0.00 0.00 0.00 53.44 52.58 3kcv n ALA 99 Cb 0.81 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.70 3kcv n ALA 99 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kcv h LYS 100 N 0.47 0.07 0.00 0.00 1.57 -1.07 -3.03 116.57 114.58 3kcv h LYS 100 Ca 0.00 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3kcv h LYS 100 Cb 0.19 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3kcv h LYS 100 CO 0.00 1.06 0.00 0.00 -0.57 0.00 0.00 179.45 179.94 3kcv n ALA 101 N -2.92 1.62 -3.13 3.86 0.00 -1.24 -4.90 120.51 113.80 3kcv n ALA 101 Ca -0.20 -0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.06 3kcv n ALA 101 Cb 0.65 -1.21 0.07 0.00 0.00 0.00 0.00 19.45 18.96 3kcv n ALA 101 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3kcv n SER 102 N -1.46 -2.26 0.00 0.00 7.64 -0.80 -0.90 113.62 115.85 3kcv n SER 102 Ca 0.04 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.44 3kcv n SER 102 Cb 0.14 -4.11 0.00 0.00 -1.01 0.00 0.00 64.21 59.23 3kcv n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kcv n GLY 103 N -1.14 1.07 0.00 0.23 0.00 -0.52 -4.48 105.19 100.34 3kcv n GLY 103 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3kcv n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcv n ARG 104 N -1.00 0.00 -2.28 1.61 1.74 -0.07 -4.21 116.66 112.44 3kcv n ARG 104 Ca 0.00 0.16 -0.34 0.00 -0.77 0.00 0.00 57.85 56.90 3kcv n ARG 104 Cb 0.00 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 29.90 3kcv n ARG 104 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3kcv s ILE 105 N -2.31 3.76 0.87 0.55 1.10 -1.13 -4.97 121.20 119.07 3kcv s ILE 105 Ca 0.00 -1.24 -0.12 0.00 -0.51 0.00 0.00 60.65 58.79 3kcv s ILE 105 Cb 0.00 -4.79 0.11 0.00 0.15 0.00 0.00 42.46 37.93 3kcv s ILE 105 CO 0.00 -1.41 1.11 0.28 -2.11 0.00 0.00 174.94 172.81 3kcv s THR 106 N 8.22 2.55 0.02 4.00 -1.32 -1.26 -4.83 115.64 123.03 3kcv s THR 106 Ca 0.62 0.18 -0.19 0.00 -1.21 0.00 0.00 61.69 61.10 3kcv s THR 106 Cb 0.01 -2.88 -0.10 0.00 -1.51 0.00 0.00 72.50 68.02 3kcv s THR 106 CO 0.09 -0.23 1.15 -0.50 -2.21 0.00 0.00 174.62 172.92 3kcv h TRP 107 N -1.36 -0.62 -0.62 9.09 6.55 -1.96 -0.53 115.95 126.51 3kcv h TRP 107 Ca -0.49 -0.01 0.08 0.00 0.95 0.00 0.00 58.89 59.41 3kcv h TRP 107 Cb 1.30 0.20 -0.06 0.00 -0.86 0.00 0.00 29.16 29.74 3kcv h TRP 107 CO 0.38 -0.38 0.28 0.78 -1.05 0.00 0.00 178.44 178.45 3kcv h GLY 108 N -0.74 0.88 1.34 1.49 0.00 -1.99 0.11 103.07 104.17 3kcv h GLY 108 Ca -0.07 -0.17 0.06 0.00 0.00 0.00 0.00 47.33 47.14 3kcv h GLY 108 CO 0.11 0.05 0.28 -1.61 0.00 0.00 0.00 176.54 175.37 3kcv h GLN 109 N 0.51 0.00 0.02 4.80 4.15 -1.92 -2.19 115.11 120.47 3kcv h GLN 109 Ca 0.30 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.38 3kcv h GLN 109 Cb 0.30 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.94 3kcv h GLN 109 CO -0.25 0.00 -1.85 -0.11 -1.93 0.00 0.00 178.83 174.69 3kcv n LEU 110 N -3.54 2.10 0.33 -2.39 0.00 0.12 -4.32 117.00 109.30 3kcv n LEU 110 Ca 0.02 0.32 0.21 0.00 0.00 0.00 0.00 56.01 56.56 3kcv n LEU 110 Cb 0.40 -0.94 1.12 0.00 0.00 0.00 0.00 43.42 43.99 3kcv n LEU 110 CO 0.24 0.51 1.17 0.00 0.00 0.00 0.00 177.39 179.31 3kcv h ALA 111 N -0.51 1.16 0.00 1.96 0.00 -0.64 -3.20 119.26 118.03 3kcv h ALA 111 Ca -0.48 -0.00 -0.48 0.00 0.00 0.00 0.00 54.91 53.95 3kcv h ALA 111 Cb 1.56 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.37 3kcv h ALA 111 CO -0.22 -0.04 2.77 0.36 0.00 0.00 0.00 179.25 182.12 3kcv n LYS 112 N -3.24 2.27 0.00 0.00 2.85 -0.85 -3.68 118.16 115.52 3kcv n LYS 112 Ca -0.03 -1.68 0.00 0.00 -1.05 0.00 0.00 58.31 55.55 3kcv n LYS 112 Cb 0.11 -2.62 0.00 0.00 -0.65 0.00 0.00 35.03 31.87 3kcv n LYS 112 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 3kcv n ASN 113 N 4.72 0.00 -0.27 -5.58 2.85 -1.21 -4.97 115.26 110.81 3kcv n ASN 113 Ca 0.51 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 55.02 3kcv n ASN 113 Cb 0.20 0.00 0.18 0.00 1.24 0.00 0.00 39.78 41.40 3kcv n ASN 113 CO 0.00 0.00 0.00 -0.50 -2.11 0.00 0.00 177.26 174.65 3kcv h TRP 114 N 0.00 0.64 -0.75 1.20 6.55 -1.70 0.24 115.95 122.13 3kcv h TRP 114 Ca 0.00 0.03 0.13 0.00 0.95 0.00 0.00 58.89 60.00 3kcv h TRP 114 Cb 0.00 -0.17 -0.09 0.00 -0.86 0.00 0.00 29.16 28.04 3kcv h TRP 114 CO 0.00 0.16 0.32 1.25 -1.05 0.00 0.00 178.44 179.12 3kcv h LEU 115 N 0.56 0.33 0.00 -4.49 5.85 -1.92 0.13 115.31 115.78 3kcv h LEU 115 Ca 0.41 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 59.22 3kcv h LEU 115 Cb 0.54 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.63 3kcv h LEU 115 CO -0.34 0.15 -0.00 -1.13 -0.34 0.00 0.00 178.44 176.77 3kcv h ASN 116 N 0.49 -0.00 -0.95 1.25 -1.24 -0.98 -1.87 115.58 112.27 3kcv h ASN 116 Ca 0.40 -0.38 0.00 0.00 0.71 0.00 0.00 56.30 57.04 3kcv h ASN 116 Cb 0.57 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.57 3kcv h ASN 116 CO -0.37 0.37 0.60 0.58 -1.29 0.00 0.00 177.43 177.33 3kcv h VAL 117 N -0.38 1.25 -0.00 2.57 2.07 -0.57 -1.34 116.25 119.85 3kcv h VAL 117 Ca -0.00 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 3kcv h VAL 117 Cb 0.38 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 3kcv h VAL 117 CO 0.00 0.26 0.00 0.22 0.02 0.00 0.00 177.57 178.07 3kcv h TYR 118 N 1.30 0.00 -0.22 1.57 3.20 -0.68 0.34 116.97 122.49 3kcv h TYR 118 Ca 0.35 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.16 3kcv h TYR 118 Cb -0.10 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 3kcv h TYR 118 CO 0.00 0.08 -0.13 0.35 -1.64 0.00 0.00 178.16 176.83 3kcv h PHE 119 N -0.08 0.37 0.19 -3.82 3.57 -1.16 -1.59 116.94 114.43 3kcv h PHE 119 Ca 0.00 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 3kcv h PHE 119 Cb 0.08 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.72 3kcv h PHE 119 CO -0.05 0.48 -0.09 0.78 -2.23 0.00 0.00 178.31 177.19 3kcv h GLY 120 N 0.84 -0.27 -0.17 2.40 0.00 -0.74 -0.83 103.07 104.30 3kcv h GLY 120 Ca 0.07 0.10 0.14 0.00 0.00 0.00 0.00 47.33 47.64 3kcv h GLY 120 CO 0.02 -0.10 -0.01 3.43 0.00 0.00 0.00 176.54 179.89 3kcv h ASN 121 N -0.71 -0.32 0.25 0.19 -0.26 0.12 -1.32 115.58 113.52 3kcv h ASN 121 Ca -0.03 0.17 -0.01 0.00 -0.56 0.00 0.00 56.30 55.87 3kcv h ASN 121 Cb 0.49 0.30 0.00 0.00 -1.06 0.00 0.00 38.32 38.06 3kcv h ASN 121 CO 0.04 -0.14 -0.13 0.25 -1.06 0.00 0.00 177.43 176.40 3kcv h LEU 122 N 0.11 -0.30 -0.48 1.61 5.85 -1.19 0.03 115.31 120.93 3kcv h LEU 122 Ca 0.35 0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.18 3kcv h LEU 122 Cb 0.58 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.61 3kcv h LEU 122 CO -0.58 -0.21 -0.05 0.58 -0.34 0.00 0.00 178.44 177.83 3kcv h VAL 123 N -0.34 0.57 -0.92 1.05 2.07 -0.70 0.77 116.25 118.76 3kcv h VAL 123 Ca -0.03 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.48 3kcv h VAL 123 Cb 0.27 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 3kcv h VAL 123 CO 0.05 0.01 0.61 1.23 0.02 0.00 0.00 177.57 179.49 3kcv h GLY 124 N 0.06 1.30 0.94 2.17 0.00 -0.57 -0.35 103.07 106.61 3kcv h GLY 124 Ca 0.24 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 47.00 3kcv h GLY 124 CO -0.45 0.46 -0.16 0.00 0.00 0.00 0.00 176.54 176.40 3kcv h ALA 125 N 1.43 0.45 -0.63 3.60 0.00 -0.14 -1.82 119.26 122.15 3kcv h ALA 125 Ca 0.34 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3kcv h ALA 125 Cb -0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3kcv h ALA 125 CO -0.08 0.35 0.42 -0.07 0.00 0.00 0.00 179.25 179.88 3kcv h LEU 126 N 0.43 0.72 -0.59 0.00 3.38 -0.30 0.30 115.31 119.26 3kcv h LEU 126 Ca 0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3kcv h LEU 126 Cb 0.69 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3kcv h LEU 126 CO 0.05 0.52 0.29 -0.07 0.09 0.00 0.00 178.44 179.32 3kcv h LEU 127 N 0.86 0.77 -1.13 1.67 3.38 -0.99 -1.68 115.31 118.18 3kcv h LEU 127 Ca 0.23 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3kcv h LEU 127 Cb -0.10 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3kcv h LEU 127 CO -0.05 0.68 0.02 0.15 0.09 0.00 0.00 178.44 179.33 3kcv h PHE 128 N 0.80 0.65 -0.10 1.13 3.57 -0.94 -1.92 116.94 120.14 3kcv h PHE 128 Ca 0.20 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.67 3kcv h PHE 128 Cb 0.11 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 3kcv h PHE 128 CO -0.00 0.61 -0.20 0.28 -2.23 0.00 0.00 178.31 176.77 3kcv h VAL 129 N 0.60 0.49 -0.56 1.41 2.07 -0.09 0.01 116.25 120.19 3kcv h VAL 129 Ca 0.13 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.69 3kcv h VAL 129 Cb 0.35 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 3kcv h VAL 129 CO 0.01 0.00 0.31 0.25 0.02 0.00 0.00 177.57 178.16 3kcv h LEU 130 N -0.28 0.46 -0.73 2.57 5.85 -0.88 0.76 115.31 123.07 3kcv h LEU 130 Ca 0.09 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3kcv h LEU 130 Cb 0.41 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3kcv h LEU 130 CO -0.26 0.32 0.33 0.25 -0.34 0.00 0.00 178.44 178.74 3kcv h LEU 131 N 0.59 0.97 -0.76 2.25 5.85 -1.12 0.29 115.31 123.38 3kcv h LEU 131 Ca 0.24 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 3kcv h LEU 131 Cb 0.11 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3kcv h LEU 131 CO -0.14 0.85 -0.07 0.24 -0.34 0.00 0.00 178.44 178.97 3kcv h MET 132 N 1.02 0.87 -0.11 1.25 2.86 -0.39 -0.24 114.93 120.19 3kcv h MET 132 Ca 0.25 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 3kcv h MET 132 Cb 0.15 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 3kcv h MET 132 CO -0.03 0.91 0.01 2.35 1.06 0.00 0.00 176.91 181.21 3kcv h TRP 133 N 0.79 0.21 0.00 -0.22 2.91 -0.39 -2.97 115.95 116.29 3kcv h TRP 133 Ca 0.14 -0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.11 3kcv h TRP 133 Cb 0.57 -0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 29.16 3kcv h TRP 133 CO 0.03 0.43 -0.06 -0.07 -1.03 0.00 0.00 178.44 177.74 3kcv h LEU 134 N -0.06 0.00 -2.22 0.65 3.38 -0.79 -1.78 115.31 114.49 3kcv h LEU 134 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3kcv h LEU 134 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3kcv h LEU 134 CO 0.00 0.06 -0.06 0.77 0.09 0.00 0.00 178.44 179.31 3kcv h SER 135 N 0.00 0.00 -4.73 -0.43 4.64 -0.86 -3.48 113.55 108.69 3kcv h SER 135 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kcv h SER 135 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3kcv h SER 135 CO 0.01 0.06 -0.63 0.61 -0.87 0.00 0.00 176.83 176.01 3kcv n GLY 136 N -0.88 -2.88 0.00 -0.77 0.00 -0.67 -5.03 105.19 94.96 3kcv n GLY 136 Ca -0.02 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.58 3kcv n GLY 136 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kcv n GLU 137 N 0.20 0.77 0.21 1.61 4.07 -1.26 -4.73 120.64 121.52 3kcv n GLU 137 Ca 0.04 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.24 3kcv n GLU 137 Cb 0.15 -0.54 0.56 0.00 -0.06 0.00 0.00 31.44 31.55 3kcv n GLU 137 CO 0.00 0.00 0.00 0.10 -0.06 0.00 0.00 177.13 177.17 3kcv h TYR 138 N 0.00 0.00 -0.19 4.31 -0.00 -1.91 0.16 116.97 119.34 3kcv h TYR 138 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3kcv h TYR 138 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.79 3kcv h TYR 138 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 178.16 176.83 3kcv n MET 139 N -2.35 2.08 -2.01 0.10 2.81 -1.26 -1.10 117.12 115.39 3kcv n MET 139 Ca -0.01 -1.61 -0.39 0.00 -1.81 0.00 0.00 57.70 53.87 3kcv n MET 139 Cb 0.26 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 3kcv n MET 139 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3kcv s THR 140 N -1.77 2.52 -1.45 2.03 2.01 0.57 -1.93 115.64 117.63 3kcv s THR 140 Ca 0.34 0.46 -0.08 0.00 0.31 0.00 0.00 61.69 62.73 3kcv s THR 140 Cb 0.20 -3.27 0.01 0.00 0.01 0.00 0.00 72.50 69.46 3kcv s THR 140 CO 0.30 0.06 0.94 0.00 -0.69 0.00 0.00 174.62 175.23 3kcv n ALA 141 N -0.02 -1.17 -3.60 7.40 0.00 -1.26 -1.88 120.51 119.98 3kcv n ALA 141 Ca 0.04 0.35 -0.21 0.00 0.00 0.00 0.00 53.44 53.62 3kcv n ALA 141 Cb 0.44 -4.83 0.06 0.00 0.00 0.00 0.00 19.45 15.12 3kcv n ALA 141 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3kcv n ASN 142 N -2.81 -3.02 0.00 0.00 4.05 -0.89 -2.48 115.26 110.11 3kcv n ASN 142 Ca -0.04 -0.68 0.00 0.00 0.45 0.00 0.00 54.58 54.32 3kcv n ASN 142 Cb 0.58 -4.67 0.00 0.00 1.23 0.00 0.00 39.78 36.92 3kcv n ASN 142 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3kcv n GLY 143 N -1.50 1.76 0.27 8.20 0.00 -0.81 -4.22 105.19 108.89 3kcv n GLY 143 Ca -0.19 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 3kcv n GLY 143 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kcv h GLN 144 N 2.84 0.74 0.05 1.61 1.08 -1.39 0.54 115.11 120.58 3kcv h GLN 144 Ca 0.00 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 3kcv h GLN 144 Cb 0.00 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 3kcv h GLN 144 CO 0.00 0.83 -0.05 2.35 -0.95 0.00 0.00 178.83 181.01 3kcv h TRP 145 N 0.67 -0.13 -0.11 2.96 7.01 -1.59 0.87 115.95 125.63 3kcv h TRP 145 Ca 0.11 0.00 -0.12 0.00 2.11 0.00 0.00 58.89 61.00 3kcv h TRP 145 Cb 0.59 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.68 3kcv h TRP 145 CO 0.03 -0.08 -0.45 0.78 -2.79 0.00 0.00 178.44 175.93 3kcv h GLY 146 N -0.12 0.27 1.38 2.65 0.00 -0.82 -1.50 103.07 104.94 3kcv h GLY 146 Ca 0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 46.95 3kcv h GLY 146 CO -0.01 0.25 -0.20 -2.00 0.00 0.00 0.00 176.54 174.57 3kcv h LEU 147 N 0.21 0.72 -0.03 3.11 5.85 -0.79 -1.23 115.31 123.14 3kcv h LEU 147 Ca 0.01 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.52 3kcv h LEU 147 Cb 0.88 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 3kcv h LEU 147 CO 0.07 0.91 -0.19 -1.13 -0.34 0.00 0.00 178.44 177.76 3kcv h ASN 148 N 0.63 -0.58 -0.33 1.25 -0.73 0.17 -0.16 115.58 115.84 3kcv h ASN 148 Ca 0.09 0.09 0.07 0.00 1.87 0.00 0.00 56.30 58.42 3kcv h ASN 148 Cb 0.69 0.25 -0.06 0.00 0.27 0.00 0.00 38.32 39.46 3kcv h ASN 148 CO 0.05 -0.26 -0.09 0.58 -0.37 0.00 0.00 177.43 177.35 3kcv h VAL 149 N -0.30 0.66 -0.17 2.57 2.07 -1.15 -1.14 116.25 118.79 3kcv h VAL 149 Ca 0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.64 3kcv h VAL 149 Cb 0.39 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 3kcv h VAL 149 CO -0.20 0.00 -0.22 -0.07 0.02 0.00 0.00 177.57 177.10 3kcv h LEU 150 N -0.01 -0.68 -0.60 2.57 3.38 -0.66 0.79 115.31 120.11 3kcv h LEU 150 Ca 0.16 0.12 -0.14 0.00 0.09 0.00 0.00 57.88 58.11 3kcv h LEU 150 Cb 0.25 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3kcv h LEU 150 CO -0.34 -0.26 -0.40 1.56 0.09 0.00 0.00 178.44 179.08 3kcv h GLN 151 N -0.25 0.66 -0.39 1.13 4.20 -0.83 -0.23 115.11 119.40 3kcv h GLN 151 Ca 0.11 -0.34 -0.11 0.00 0.06 0.00 0.00 58.65 58.38 3kcv h GLN 151 Cb 0.42 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 3kcv h GLN 151 CO -0.32 0.95 -0.19 1.15 -0.67 0.00 0.00 178.83 179.74 3kcv h THR 152 N 0.54 1.27 0.35 -0.54 2.02 -0.91 -1.70 112.91 113.93 3kcv h THR 152 Ca 0.05 -1.28 -0.01 0.00 0.77 0.00 0.00 66.41 65.93 3kcv h THR 152 Cb 0.93 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 3kcv h THR 152 CO 0.08 0.43 -0.23 0.00 0.37 0.00 0.00 175.52 176.18 3kcv h ALA 153 N 1.12 -0.55 0.00 6.16 0.00 -0.54 -2.86 119.26 122.59 3kcv h ALA 153 Ca 0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kcv h ALA 153 Cb 0.69 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3kcv h ALA 153 CO 0.05 -0.82 -0.02 0.22 0.00 0.00 0.00 179.25 178.68 3kcv h ASP 154 N -0.55 0.00 0.51 0.00 3.58 -0.80 -2.34 116.42 116.81 3kcv h ASP 154 Ca -0.03 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.12 3kcv h ASP 154 Cb 0.47 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.51 3kcv h ASP 154 CO 0.03 0.02 -1.42 -0.74 -2.88 0.00 0.00 179.24 174.25 3kcv h HIS 155 N 0.00 0.49 0.00 0.28 2.76 -1.10 -3.33 115.15 114.25 3kcv h HIS 155 Ca -0.00 -0.36 -0.07 0.00 -2.20 0.00 0.00 60.37 57.74 3kcv h HIS 155 Cb 0.06 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 3kcv h HIS 155 CO 0.00 1.35 -0.36 0.87 -1.30 0.00 0.00 177.93 178.49 3kcv h LYS 156 N 0.07 0.00 0.00 5.26 1.57 -1.23 -2.58 116.57 119.67 3kcv h LYS 156 Ca -0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 3kcv h LYS 156 Cb 2.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.32 3kcv h LYS 156 CO 0.18 0.36 0.00 1.33 -0.57 0.00 0.00 179.45 180.75 3kcv n VAL 157 N -4.05 0.01 -2.59 0.50 0.24 -1.21 -4.24 118.33 106.99 3kcv n VAL 157 Ca -0.02 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.96 3kcv n VAL 157 Cb 0.40 -0.55 -0.00 0.00 -1.47 0.00 0.00 33.84 32.22 3kcv n VAL 157 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3kcv n HIS 158 N -1.04 3.42 -4.26 6.34 8.25 -0.97 -4.84 115.22 122.12 3kcv n HIS 158 Ca 0.21 -3.17 -0.19 0.00 -0.26 0.00 0.00 57.72 54.31 3kcv n HIS 158 Cb 0.12 -0.68 -0.11 0.00 1.12 0.00 0.00 29.99 30.43 3kcv n HIS 158 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3kcv s HIS 159 N -3.80 1.52 0.77 4.41 3.76 -1.26 -5.08 115.29 115.61 3kcv s HIS 159 Ca 0.47 -0.52 -0.11 0.00 -0.15 0.00 0.00 55.06 54.75 3kcv s HIS 159 Cb 0.31 -0.79 0.05 0.00 1.11 0.00 0.00 32.58 33.26 3kcv s HIS 159 CO -0.19 0.19 1.08 0.95 -0.85 0.00 0.00 174.74 175.91 3kcv s THR 160 N -1.97 3.43 0.23 1.30 -4.23 -1.26 -4.85 115.64 108.28 3kcv s THR 160 Ca 0.10 0.46 -0.08 0.00 -1.18 0.00 0.00 61.69 60.99 3kcv s THR 160 Cb -0.06 -3.13 0.19 0.00 1.34 0.00 0.00 72.50 70.84 3kcv s THR 160 CO 0.04 -0.61 1.87 0.15 -0.54 0.00 0.00 174.62 175.53 3kcv h PHE 161 N -1.02 0.98 0.23 3.99 3.57 -1.96 -0.65 116.94 122.08 3kcv h PHE 161 Ca -0.45 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.06 3kcv h PHE 161 Cb 1.24 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.66 3kcv h PHE 161 CO 0.54 0.56 -0.11 0.82 -2.23 0.00 0.00 178.31 177.89 3kcv h ILE 162 N 1.02 0.79 -0.53 1.41 1.08 -1.99 -1.42 117.51 117.87 3kcv h ILE 162 Ca 0.32 -0.10 0.04 0.00 -0.39 0.00 0.00 64.86 64.74 3kcv h ILE 162 Cb 0.01 0.85 -0.04 0.00 -3.07 0.00 0.00 36.82 34.57 3kcv h ILE 162 CO -0.11 0.02 0.29 -0.33 -0.69 0.00 0.00 178.15 177.33 3kcv h GLU 163 N -0.35 0.54 -0.67 2.37 5.08 -1.91 -0.58 114.58 119.06 3kcv h GLU 163 Ca -0.03 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3kcv h GLU 163 Cb 0.27 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3kcv h GLU 163 CO 0.05 0.36 0.25 0.00 -1.00 0.00 0.00 179.01 178.67 3kcv h ALA 164 N 1.27 1.18 -0.16 3.43 0.00 -0.88 0.60 119.26 124.70 3kcv h ALA 164 Ca 0.23 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3kcv h ALA 164 Cb 0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3kcv h ALA 164 CO -0.14 0.59 -0.14 0.28 0.00 0.00 0.00 179.25 179.83 3kcv h VAL 165 N 0.97 1.34 -0.80 0.00 2.07 -1.09 -1.33 116.25 117.40 3kcv h VAL 165 Ca 0.22 -1.28 0.03 0.00 0.82 0.00 0.00 66.70 66.49 3kcv h VAL 165 Cb 0.22 1.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 3kcv h VAL 165 CO -0.02 0.38 0.51 0.00 0.02 0.00 0.00 177.57 178.46 3kcv h LEU 167 N 0.99 0.00 -0.40 0.00 3.38 -0.90 -1.37 115.31 117.01 3kcv h LEU 167 Ca 0.32 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.11 3kcv h LEU 167 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kcv h LEU 167 CO -0.12 0.62 -0.57 1.23 0.09 0.00 0.00 178.44 179.69 3kcv h GLY 168 N 2.30 0.77 0.71 0.83 0.00 -0.58 -1.03 103.07 106.07 3kcv h GLY 168 Ca -0.01 -0.91 0.01 0.00 0.00 0.00 0.00 47.33 46.42 3kcv h GLY 168 CO 0.08 0.82 -0.18 -2.22 0.00 0.00 0.00 176.54 175.04 3kcv h ILE 169 N 0.53 0.60 -0.99 2.60 2.04 -0.32 -2.38 117.51 119.60 3kcv h ILE 169 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 3kcv h ILE 169 Cb 1.15 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 3kcv h ILE 169 CO 0.12 0.00 0.65 -0.07 0.00 0.00 0.00 178.15 178.85 3kcv h LEU 170 N -0.35 1.10 0.63 1.44 3.38 -1.07 -1.32 115.31 119.12 3kcv h LEU 170 Ca 0.02 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3kcv h LEU 170 Cb 0.36 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.86 3kcv h LEU 170 CO -0.09 0.76 -0.30 0.00 0.09 0.00 0.00 178.44 178.90 3kcv h ALA 171 N 1.41 -0.84 0.00 1.53 0.00 -1.14 -2.63 119.26 117.58 3kcv h ALA 171 Ca 0.38 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3kcv h ALA 171 Cb -0.04 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3kcv h ALA 171 CO -0.11 -0.82 -0.14 -0.97 0.00 0.00 0.00 179.25 177.21 3kcv h ASN 172 N -1.14 0.00 0.18 0.00 -1.24 -1.43 -1.79 115.58 110.15 3kcv h ASN 172 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.93 3kcv h ASN 172 Cb 0.68 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.72 3kcv h ASN 172 CO 0.14 0.14 -0.17 0.25 -1.29 0.00 0.00 177.43 176.50 3kcv h LEU 173 N 0.00 -0.45 -0.58 0.34 7.12 -1.19 -1.49 115.31 119.07 3kcv h LEU 173 Ca -0.00 0.04 -0.14 0.00 0.13 0.00 0.00 57.88 57.91 3kcv h LEU 173 Cb 0.38 0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.66 3kcv h LEU 173 CO 0.02 -0.26 -0.33 0.24 -0.13 0.00 0.00 178.44 177.98 3kcv h MET 174 N -0.38 0.78 -0.76 1.25 2.86 -1.04 -1.53 114.93 116.11 3kcv h MET 174 Ca -0.00 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.26 3kcv h MET 174 Cb 0.35 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 3kcv h MET 174 CO -0.04 0.99 0.44 0.28 1.06 0.00 0.00 176.91 179.65 3kcv h VAL 175 N 0.65 1.22 -0.33 -2.22 2.07 -1.28 0.21 116.25 116.56 3kcv h VAL 175 Ca 0.07 -0.51 -0.07 0.00 0.82 0.00 0.00 66.70 67.01 3kcv h VAL 175 Cb 0.87 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3kcv h VAL 175 CO 0.08 0.24 -0.05 0.00 0.02 0.00 0.00 177.57 177.85 3kcv h LEU 177 N 0.41 1.05 0.49 0.00 3.38 -0.94 0.15 115.31 119.85 3kcv h LEU 177 Ca 0.09 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3kcv h LEU 177 Cb 0.54 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3kcv h LEU 177 CO 0.03 0.75 -0.24 0.00 0.09 0.00 0.00 178.44 179.07 3kcv h ALA 178 N 1.43 -0.66 -0.90 1.53 0.00 -0.72 -0.60 119.26 119.33 3kcv h ALA 178 Ca 0.34 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3kcv h ALA 178 Cb -0.12 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3kcv h ALA 178 CO -0.08 -0.78 0.59 0.28 0.00 0.00 0.00 179.25 179.26 3kcv h VAL 179 N -0.84 1.18 -0.23 0.00 2.07 -1.17 -1.02 116.25 116.24 3kcv h VAL 179 Ca -0.07 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3kcv h VAL 179 Cb 0.58 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3kcv h VAL 179 CO 0.11 0.21 0.09 -0.25 0.02 0.00 0.00 177.57 177.75 3kcv h TRP 180 N 1.17 0.36 0.00 1.57 2.91 -0.60 -1.21 115.95 120.15 3kcv h TRP 180 Ca 0.35 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.34 3kcv h TRP 180 Cb -0.05 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 28.50 3kcv h TRP 180 CO -0.00 0.39 0.00 0.52 -1.03 0.00 0.00 178.44 178.32 3kcv h MET 181 N 0.22 0.00 -0.14 2.65 2.86 -0.93 -2.52 114.93 117.07 3kcv h MET 181 Ca 0.08 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.63 3kcv h MET 181 Cb 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 3kcv h MET 181 CO -0.01 0.00 -0.30 1.03 1.06 0.00 0.00 176.91 178.70 3kcv h SER 182 N 0.00 0.28 0.87 1.22 0.87 0.04 -2.97 113.55 113.85 3kcv h SER 182 Ca 0.00 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 3kcv h SER 182 Cb 0.37 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.25 3kcv h SER 182 CO 0.00 0.57 -0.10 1.88 -0.53 0.00 0.00 176.83 178.66 3kcv h TYR 183 N 0.24 0.00 -0.02 2.24 0.05 -1.05 -2.22 116.97 116.21 3kcv h TYR 183 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3kcv h TYR 183 Cb 0.66 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.40 3kcv h TYR 183 CO 0.01 0.10 0.00 0.43 -1.05 0.00 0.00 178.16 177.65 3kcv n SER 184 N -3.26 0.52 -4.69 3.88 7.64 -1.12 -4.90 113.62 111.67 3kcv n SER 184 Ca -0.00 -1.26 -0.40 0.00 1.01 0.00 0.00 58.87 58.22 3kcv n SER 184 Cb 0.33 -0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.47 3kcv n SER 184 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3kcv s GLY 185 N -1.88 2.38 -0.02 0.23 0.00 -0.84 -5.01 107.32 102.19 3kcv s GLY 185 Ca 0.40 0.02 -0.02 0.00 0.00 0.00 0.00 44.72 45.12 3kcv s GLY 185 CO 0.32 1.31 0.28 3.21 0.00 0.00 0.00 173.10 178.23 3kcv h ARG 186 N 7.04 -0.08 -7.44 2.90 2.47 -1.90 -3.45 114.38 113.92 3kcv h ARG 186 Ca -0.36 0.01 -0.50 0.00 -1.26 0.00 0.00 59.98 57.87 3kcv h ARG 186 Cb 1.17 0.02 0.07 0.00 -1.65 0.00 0.00 29.97 29.58 3kcv h ARG 186 CO 0.78 -0.05 0.41 -1.54 0.56 0.00 0.00 179.97 180.12 3kcv s SER 187 N -3.35 5.66 0.24 7.04 1.04 -1.26 -4.95 113.70 118.13 3kcv s SER 187 Ca -0.01 1.20 -0.06 0.00 0.48 0.00 0.00 55.95 57.55 3kcv s SER 187 Cb 0.00 -2.07 0.27 0.00 0.10 0.00 0.00 66.02 64.33 3kcv s SER 187 CO 0.04 -1.21 1.90 0.25 0.98 0.00 0.00 173.24 175.21 3kcv h LEU 188 N -0.55 1.05 -1.10 2.42 5.85 -1.99 -2.06 115.31 118.92 3kcv h LEU 188 Ca -0.45 -0.02 0.18 0.00 0.84 0.00 0.00 57.88 58.43 3kcv h LEU 188 Cb 1.24 -0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.92 3kcv h LEU 188 CO 0.63 0.74 0.61 -0.03 -0.34 0.00 0.00 178.44 180.05 3kcv h MET 189 N 1.23 0.73 -0.04 1.25 4.05 -1.99 -1.01 114.93 119.14 3kcv h MET 189 Ca 0.36 -0.04 -0.21 0.00 -0.28 0.00 0.00 59.70 59.53 3kcv h MET 189 Cb -0.06 -0.16 0.01 0.00 -0.80 0.00 0.00 31.60 30.59 3kcv h MET 189 CO -0.10 0.48 -0.78 -0.44 0.23 0.00 0.00 176.91 176.30 3kcv h ASP 190 N 0.75 0.76 -0.62 1.39 5.19 -1.77 -1.72 116.42 120.40 3kcv h ASP 190 Ca 0.54 -0.71 0.05 0.00 -0.62 0.00 0.00 57.03 56.29 3kcv h ASP 190 Cb 0.86 -0.23 -0.04 0.00 0.18 0.00 0.00 39.33 40.10 3kcv h ASP 190 CO -0.32 1.37 0.41 0.11 -3.12 0.00 0.00 179.24 177.69 3kcv h LYS 191 N 0.23 0.63 0.00 3.56 1.57 -0.66 -2.98 116.57 118.92 3kcv h LYS 191 Ca -0.09 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.51 3kcv h LYS 191 Cb 1.45 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 3kcv h LYS 191 CO 0.16 0.42 -1.20 0.00 -0.57 0.00 0.00 179.45 178.26 3kcv n ALA 192 N -2.47 0.77 0.31 3.86 0.00 -0.50 -4.25 120.51 118.24 3kcv n ALA 192 Ca 0.08 -0.66 0.21 0.00 0.00 0.00 0.00 53.44 53.07 3kcv n ALA 192 Cb 0.20 -0.10 1.10 0.00 0.00 0.00 0.00 19.45 20.65 3kcv n ALA 192 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3kcv h PHE 193 N -1.00 0.00 -0.06 0.00 0.04 -1.41 -1.96 116.94 112.55 3kcv h PHE 193 Ca -0.22 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.38 3kcv h PHE 193 Cb 1.03 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.19 3kcv h PHE 193 CO -0.16 0.00 -0.60 0.97 -0.60 0.00 0.00 178.31 177.92 3kcv h ILE 194 N 0.00 1.38 0.00 -0.55 6.09 -1.73 -3.16 117.51 119.54 3kcv h ILE 194 Ca 0.00 -1.96 0.00 0.00 -1.37 0.00 0.00 64.86 61.53 3kcv h ILE 194 Cb 0.02 2.35 0.00 0.00 0.47 0.00 0.00 36.82 39.66 3kcv h ILE 194 CO 0.00 0.59 0.00 0.24 -3.07 0.00 0.00 178.15 175.91 3kcv h MET 195 N 0.08 0.00 0.38 2.19 2.86 -1.54 -3.33 114.93 115.57 3kcv h MET 195 Ca -0.06 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 3kcv h MET 195 Cb 1.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.93 3kcv h MET 195 CO 0.12 0.00 -0.19 0.28 1.06 0.00 0.00 176.91 178.18 3kcv h VAL 196 N 0.00 0.60 -0.13 -2.22 2.07 -1.46 -1.75 116.25 113.36 3kcv h VAL 196 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3kcv h VAL 196 Cb 0.35 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3kcv h VAL 196 CO 0.00 0.00 0.07 -0.07 0.02 0.00 0.00 177.57 177.59 3kcv h LEU 197 N -0.52 0.17 -1.81 2.57 4.07 -1.74 0.64 115.31 118.68 3kcv h LEU 197 Ca -0.05 -0.10 -0.03 0.00 0.08 0.00 0.00 57.88 57.78 3kcv h LEU 197 Cb 0.41 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.10 3kcv h LEU 197 CO 0.07 0.22 -0.15 -0.65 -1.08 0.00 0.00 178.44 176.86 3kcv h PRO 198 N 0.10 0.00 0.08 1.13 0.11 -1.73 -0.92 132.00 130.78 3kcv h PRO 198 Ca 0.05 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.94 3kcv h PRO 198 Cb 0.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 3kcv h PRO 198 CO -0.01 0.15 -1.12 0.28 -0.21 0.00 0.00 178.00 177.10 3kcv h VAL 199 N 0.00 1.18 -0.97 3.15 2.07 -1.18 -2.95 116.25 117.54 3kcv h VAL 199 Ca -0.00 -2.38 0.22 0.00 0.82 0.00 0.00 66.70 65.36 3kcv h VAL 199 Cb 0.34 2.79 -0.08 0.00 -1.52 0.00 0.00 31.29 32.81 3kcv h VAL 199 CO 0.02 0.63 0.62 0.00 0.02 0.00 0.00 177.57 178.87 3kcv h ALA 200 N -0.09 2.07 -0.04 1.67 0.00 -0.76 -1.41 119.26 120.70 3kcv h ALA 200 Ca -0.25 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3kcv h ALA 200 Cb 1.57 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3kcv h ALA 200 CO 0.02 -0.42 -0.10 1.98 0.00 0.00 0.00 179.25 180.73 3kcv h MET 201 N 0.50 0.14 0.00 0.00 -1.53 -1.26 0.20 114.93 112.99 3kcv h MET 201 Ca 0.53 -0.10 -0.01 0.00 -3.44 0.00 0.00 59.70 56.69 3kcv h MET 201 Cb 1.20 0.02 -0.00 0.00 -0.55 0.00 0.00 31.60 32.26 3kcv h MET 201 CO -0.26 0.70 -0.03 0.27 0.14 0.00 0.00 176.91 177.74 3kcv h PHE 202 N -0.40 0.00 0.00 1.39 -5.15 -1.23 -2.35 116.94 109.20 3kcv h PHE 202 Ca -0.00 0.00 -0.17 0.00 -0.20 0.00 0.00 57.97 57.60 3kcv h PHE 202 Cb 0.71 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.85 3kcv h PHE 202 CO 0.13 0.03 -1.13 0.28 -2.00 0.00 0.00 178.31 175.61 3kcv n VAL 203 N -3.26 1.49 0.20 0.88 0.31 -0.58 -1.15 118.33 116.22 3kcv n VAL 203 Ca -0.02 0.03 0.15 0.00 -0.01 0.00 0.00 64.34 64.49 3kcv n VAL 203 Cb 0.16 -2.16 0.78 0.00 -0.91 0.00 0.00 33.84 31.72 3kcv n VAL 203 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kcv h ALA 204 N -0.74 1.90 0.00 3.52 0.00 -0.62 -0.40 119.26 122.91 3kcv h ALA 204 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3kcv h ALA 204 Cb 1.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3kcv h ALA 204 CO -0.15 -0.23 -0.13 0.43 0.00 0.00 0.00 179.25 179.17 3kcv n SER 205 N -4.07 0.21 -0.36 0.00 7.64 -0.89 -4.75 113.62 111.41 3kcv n SER 205 Ca 0.01 0.34 -0.03 0.00 1.01 0.00 0.00 58.87 60.20 3kcv n SER 205 Cb 0.27 -0.35 -0.00 0.00 -1.01 0.00 0.00 64.21 63.12 3kcv n SER 205 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kcv n GLY 206 N 1.47 0.25 3.81 0.23 0.00 -0.16 -5.05 105.19 105.74 3kcv n GLY 206 Ca 0.06 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 3kcv n GLY 206 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kcv s PHE 207 N -2.16 3.07 -0.37 1.61 0.08 -0.30 -5.02 117.98 114.90 3kcv s PHE 207 Ca 0.00 1.55 -0.18 0.00 0.12 0.00 0.00 56.93 58.42 3kcv s PHE 207 Cb 0.00 -3.00 0.00 0.00 -0.57 0.00 0.00 43.02 39.45 3kcv s PHE 207 CO 0.00 -0.77 0.52 -1.21 -0.10 0.00 0.00 175.22 173.66 3kcv s GLU 208 N -3.51 3.52 -0.30 0.44 0.41 -0.62 -4.82 118.70 113.82 3kcv s GLU 208 Ca 0.65 -0.25 -0.08 0.00 -0.41 0.00 0.00 54.97 54.88 3kcv s GLU 208 Cb -0.15 -3.84 0.00 0.00 -1.78 0.00 0.00 34.13 28.36 3kcv s GLU 208 CO 0.24 -0.71 0.11 -1.58 -0.49 0.00 0.00 175.26 172.83 3kcv s HIS 209 N 2.43 3.16 0.28 1.61 5.65 -1.26 -3.85 115.29 123.30 3kcv s HIS 209 Ca 0.19 -0.83 0.00 0.00 0.25 0.00 0.00 55.06 54.67 3kcv s HIS 209 Cb -0.15 -2.29 0.65 0.00 -1.18 0.00 0.00 32.58 29.60 3kcv s HIS 209 CO 0.14 -0.53 1.67 0.66 -0.65 0.00 0.00 174.74 176.02 3kcv h SER 210 N 8.28 0.06 -0.17 9.88 4.64 -1.93 0.09 113.55 134.39 3kcv h SER 210 Ca -0.32 0.18 -0.11 0.00 -0.47 0.00 0.00 61.79 61.07 3kcv h SER 210 Cb 1.13 0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 3kcv h SER 210 CO 0.61 -0.10 -0.25 0.40 -0.87 0.00 0.00 176.83 176.62 3kcv h ILE 211 N 0.26 1.27 -0.09 0.95 1.08 -1.94 -1.96 117.51 117.08 3kcv h ILE 211 Ca 0.52 -1.33 -0.18 0.00 -0.39 0.00 0.00 64.86 63.48 3kcv h ILE 211 Cb 0.99 1.30 -0.01 0.00 -3.07 0.00 0.00 36.82 36.04 3kcv h ILE 211 CO -0.60 0.43 -0.68 0.00 -0.69 0.00 0.00 178.15 176.62 3kcv h ALA 212 N 1.17 0.64 0.00 1.87 0.00 -1.38 -2.61 119.26 118.95 3kcv h ALA 212 Ca 0.08 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 3kcv h ALA 212 Cb 0.72 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3kcv h ALA 212 CO 0.06 0.75 -0.25 -0.91 0.00 0.00 0.00 179.25 178.89 3kcv h ASN 213 N 0.29 0.00 0.14 0.00 2.35 -1.13 -1.90 115.58 115.32 3kcv h ASN 213 Ca -0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3kcv h ASN 213 Cb 1.24 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.61 3kcv h ASN 213 CO 0.12 0.25 -0.03 0.24 -1.65 0.00 0.00 177.43 176.35 3kcv h MET 214 N 0.00 0.00 0.01 0.81 2.86 -0.95 -1.78 114.93 115.88 3kcv h MET 214 Ca -0.00 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.28 3kcv h MET 214 Cb 0.47 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.08 3kcv h MET 214 CO 0.03 0.03 -1.95 0.34 1.06 0.00 0.00 176.91 176.42 3kcv n PHE 215 N -3.58 0.53 -0.01 -0.22 7.35 -1.09 -4.53 117.46 115.92 3kcv n PHE 215 Ca -0.03 0.21 -0.12 0.00 -0.76 0.00 0.00 57.45 56.76 3kcv n PHE 215 Cb 0.13 -1.06 -0.07 0.00 0.35 0.00 0.00 39.48 38.83 3kcv n PHE 215 CO 0.00 0.00 0.00 1.98 -0.76 0.00 0.00 176.76 177.98 3kcv h MET 216 N -0.86 0.10 -0.26 -4.13 4.05 -1.04 -0.35 114.93 112.44 3kcv h MET 216 Ca -0.52 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 58.83 3kcv h MET 216 Cb 1.53 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 32.31 3kcv h MET 216 CO -0.28 0.27 -0.02 0.82 0.23 0.00 0.00 176.91 177.94 3kcv h ILE 217 N -0.08 1.26 -0.58 1.77 2.04 -1.60 -1.34 117.51 118.98 3kcv h ILE 217 Ca 0.02 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 3kcv h ILE 217 Cb 0.21 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 3kcv h ILE 217 CO -0.00 0.30 0.32 -0.65 0.00 0.00 0.00 178.15 178.13 3kcv h PRO 218 N 0.25 0.79 -0.63 2.37 0.11 -1.73 -0.57 132.00 132.59 3kcv h PRO 218 Ca 0.07 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 3kcv h PRO 218 Cb 0.45 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 3kcv h PRO 218 CO 0.02 0.57 0.05 1.98 -0.21 0.00 0.00 178.00 180.41 3kcv h MET 219 N 0.80 1.07 -0.52 1.05 4.05 -0.82 -0.63 114.93 119.93 3kcv h MET 219 Ca 0.21 -0.31 -0.04 0.00 -0.28 0.00 0.00 59.70 59.28 3kcv h MET 219 Cb 0.01 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.67 3kcv h MET 219 CO -0.04 1.01 0.19 0.78 0.23 0.00 0.00 176.91 179.09 3kcv h GLY 220 N 1.02 0.86 0.99 1.39 0.00 -0.79 -2.14 103.07 104.40 3kcv h GLY 220 Ca 0.19 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 3kcv h GLY 220 CO 0.02 0.45 -0.07 -2.22 0.00 0.00 0.00 176.54 174.73 3kcv h ILE 221 N 0.71 0.86 -0.42 2.60 2.04 -0.82 0.11 117.51 122.60 3kcv h ILE 221 Ca 0.17 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.11 3kcv h ILE 221 Cb 0.23 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.11 3kcv h ILE 221 CO -0.01 0.00 0.04 0.58 0.00 0.00 0.00 178.15 178.76 3kcv h VAL 222 N -0.18 0.73 -0.39 1.67 2.07 -1.11 0.10 116.25 119.14 3kcv h VAL 222 Ca -0.01 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3kcv h VAL 222 Cb 0.14 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3kcv h VAL 222 CO 0.02 0.03 0.21 0.40 0.02 0.00 0.00 177.57 178.25 3kcv h ILE 223 N 0.16 1.16 -0.15 4.57 2.04 -1.19 0.07 117.51 124.17 3kcv h ILE 223 Ca 0.21 -0.43 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 3kcv h ILE 223 Cb 0.28 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3kcv h ILE 223 CO -0.31 0.17 -0.33 -0.09 0.00 0.00 0.00 178.15 177.59 3kcv h ARG 224 N 0.50 0.30 0.00 2.37 2.43 -0.61 0.43 114.38 119.80 3kcv h ARG 224 Ca 0.14 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 3kcv h ARG 224 Cb 0.08 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3kcv h ARG 224 CO -0.02 0.60 -0.76 -0.44 -1.51 0.00 0.00 179.97 177.84 3kcv h ASP 225 N 0.26 0.00 0.00 -3.80 5.19 -0.49 -3.38 116.42 114.19 3kcv h ASP 225 Ca 0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 3kcv h ASP 225 Cb 0.72 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.23 3kcv h ASP 225 CO 0.05 0.18 0.00 0.49 -3.12 0.00 0.00 179.24 176.85 3kcv n PHE 226 N -2.90 0.00 -2.63 4.55 3.72 -0.01 -5.07 117.46 115.12 3kcv n PHE 226 Ca -0.01 -0.22 -0.36 0.00 -0.05 0.00 0.00 57.45 56.82 3kcv n PHE 226 Cb 0.63 -0.02 -0.05 0.00 -0.94 0.00 0.00 39.48 39.10 3kcv n PHE 226 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kcv s ALA 227 N -0.44 3.07 0.67 4.37 0.00 0.14 -4.98 121.76 124.58 3kcv s ALA 227 Ca 0.00 0.61 -0.13 0.00 0.00 0.00 0.00 51.96 52.44 3kcv s ALA 227 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.89 3kcv s ALA 227 CO 0.00 -0.11 1.08 -1.54 0.00 0.00 0.00 175.76 175.19 3kcv s SER 228 N -1.72 5.24 0.26 0.00 1.04 -1.26 -4.88 113.70 112.38 3kcv s SER 228 Ca 0.58 1.83 -0.04 0.00 0.48 0.00 0.00 55.95 58.81 3kcv s SER 228 Cb -0.19 -2.53 0.34 0.00 0.10 0.00 0.00 66.02 63.75 3kcv s SER 228 CO 0.24 -1.54 1.90 -0.65 0.98 0.00 0.00 173.24 174.17 3kcv h PRO 229 N -0.23 1.19 -1.00 4.02 0.11 -2.00 -1.24 132.00 132.86 3kcv h PRO 229 Ca -0.46 -0.07 0.10 0.00 0.11 0.00 0.00 66.00 65.68 3kcv h PRO 229 Cb 1.23 -0.27 -0.08 0.00 0.11 0.00 0.00 31.00 31.99 3kcv h PRO 229 CO 0.55 0.78 0.63 0.93 -0.21 0.00 0.00 178.00 180.69 3kcv h GLU 230 N 1.22 1.02 0.65 1.05 3.07 -1.98 -1.19 114.58 118.43 3kcv h GLU 230 Ca 0.40 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 59.17 3kcv h GLU 230 Cb 0.05 -0.23 0.01 0.00 -0.84 0.00 0.00 28.75 27.73 3kcv h GLU 230 CO -0.14 0.68 -0.31 0.35 -1.40 0.00 0.00 179.01 178.19 3kcv h PHE 231 N 1.05 -0.81 -0.97 4.33 3.57 -1.61 0.37 116.94 122.87 3kcv h PHE 231 Ca 0.47 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 62.08 3kcv h PHE 231 Cb 0.36 0.27 -0.09 0.00 2.79 0.00 0.00 35.95 39.28 3kcv h PHE 231 CO -0.01 -0.48 0.60 -1.49 -2.23 0.00 0.00 178.31 174.70 3kcv h TRP 232 N -1.18 1.08 -0.10 0.41 -0.00 -1.38 -1.12 115.95 113.65 3kcv h TRP 232 Ca -0.09 0.03 -0.13 0.00 -0.00 0.00 0.00 58.89 58.71 3kcv h TRP 232 Cb 0.69 -0.34 -0.01 0.00 -0.00 0.00 0.00 29.16 29.51 3kcv h TRP 232 CO 0.00 0.39 -0.50 1.15 -0.00 0.00 0.00 178.44 179.49 3kcv h THR 233 N 0.92 1.34 0.23 1.49 2.02 -1.15 -1.09 112.91 116.67 3kcv h THR 233 Ca 0.49 -1.73 -0.33 0.00 0.77 0.00 0.00 66.41 65.62 3kcv h THR 233 Cb 0.54 1.81 0.03 0.00 -1.74 0.00 0.00 68.15 68.79 3kcv h THR 233 CO -0.29 0.52 -1.48 0.00 0.37 0.00 0.00 175.52 174.64 3kcv h ALA 234 N 1.27 -0.08 0.00 6.16 0.00 -0.06 -3.30 119.26 123.24 3kcv h ALA 234 Ca 0.01 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.02 3kcv h ALA 234 Cb 0.95 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3kcv h ALA 234 CO 0.08 0.78 -0.16 -0.39 0.00 0.00 0.00 179.25 179.56 3kcv h VAL 235 N 0.13 0.00 -3.62 0.00 -1.51 -1.27 -3.49 116.25 106.50 3kcv h VAL 235 Ca -0.25 -0.73 0.00 0.00 -1.23 0.00 0.00 66.70 64.49 3kcv h VAL 235 Cb 2.14 1.63 0.00 0.00 -2.13 0.00 0.00 31.29 32.93 3kcv h VAL 235 CO 0.25 0.00 -0.20 0.61 -1.23 0.00 0.00 177.57 177.00 3kcv n GLY 236 N 1.22 -1.92 0.00 5.19 0.00 -0.61 -5.05 105.19 104.02 3kcv n GLY 236 Ca 0.04 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3kcv n GLY 236 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kcv n SER 237 N -0.16 0.00 -3.91 1.61 2.88 -0.51 -5.03 113.62 108.49 3kcv n SER 237 Ca 0.02 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.45 3kcv n SER 237 Cb 0.07 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.42 3kcv n SER 237 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kcv s ALA 238 N -2.00 -0.12 0.63 -1.46 0.00 -1.26 -4.39 121.76 113.15 3kcv s ALA 238 Ca 0.00 -0.27 0.26 0.00 0.00 0.00 0.00 51.96 51.95 3kcv s ALA 238 Cb 0.00 0.09 1.32 0.00 0.00 0.00 0.00 23.12 24.53 3kcv s ALA 238 CO 0.00 -0.16 1.75 -1.35 0.00 0.00 0.00 175.76 176.00 3kcv h PRO 239 N 4.70 0.00 0.00 0.00 0.11 -1.98 0.52 132.00 135.35 3kcv h PRO 239 Ca -0.30 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 3kcv h PRO 239 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kcv h PRO 239 CO 0.42 0.00 -0.00 0.93 -0.21 0.00 0.00 178.00 179.13 3kcv h GLU 240 N 0.00 0.00 0.00 1.05 3.07 -1.95 -0.80 114.58 115.95 3kcv h GLU 240 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 3kcv h GLU 240 Cb 1.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 3kcv h GLU 240 CO -0.00 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.70 3kcv n ASN 241 N -3.09 0.00 -1.88 1.42 4.13 0.17 -3.67 115.26 112.34 3kcv n ASN 241 Ca 0.00 0.30 -0.01 0.00 1.68 0.00 0.00 54.58 56.56 3kcv n ASN 241 Cb 0.28 -0.42 0.06 0.00 -1.54 0.00 0.00 39.78 38.16 3kcv n ASN 241 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3kcv n PHE 242 N -1.42 0.80 0.33 3.10 3.72 -0.31 -4.82 117.46 118.85 3kcv n PHE 242 Ca 0.07 -1.44 0.08 0.00 -0.05 0.00 0.00 57.45 56.11 3kcv n PHE 242 Cb 0.23 -0.22 0.34 0.00 -0.94 0.00 0.00 39.48 38.89 3kcv n PHE 242 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3kcv n SER 243 N -0.28 0.26 0.10 4.37 3.41 -1.21 -1.94 113.62 118.33 3kcv n SER 243 Ca 0.14 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.46 3kcv n SER 243 Cb 0.94 -0.63 0.36 0.00 -0.26 0.00 0.00 64.21 64.61 3kcv n SER 243 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3kcv n HIS 244 N -1.81 0.87 -2.70 7.33 8.25 -1.26 -4.49 115.22 121.40 3kcv n HIS 244 Ca 0.02 0.25 -0.43 0.00 -0.26 0.00 0.00 57.72 57.30 3kcv n HIS 244 Cb 0.13 -0.89 -0.01 0.00 1.12 0.00 0.00 29.99 30.35 3kcv n HIS 244 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3kcv s LEU 245 N -4.48 4.20 0.23 2.41 1.43 -0.82 -4.74 118.68 116.91 3kcv s LEU 245 Ca 0.10 -2.34 0.05 0.00 -1.03 0.00 0.00 54.13 50.91 3kcv s LEU 245 Cb 0.12 -2.51 -0.05 0.00 0.03 0.00 0.00 46.19 43.78 3kcv s LEU 245 CO 0.62 -1.12 -0.05 0.42 0.23 0.00 0.00 176.35 176.45 3kcv s THR 246 N 3.56 1.33 0.08 5.49 -4.23 -1.26 -4.80 115.64 115.81 3kcv s THR 246 Ca 0.47 -2.09 -0.22 0.00 -1.18 0.00 0.00 61.69 58.67 3kcv s THR 246 Cb 0.01 -2.26 -0.14 0.00 1.34 0.00 0.00 72.50 71.46 3kcv s THR 246 CO 0.01 -0.42 1.64 0.58 -0.54 0.00 0.00 174.62 175.88 3kcv h VAL 247 N 2.47 1.11 -0.81 2.29 2.07 -1.99 -1.15 116.25 120.25 3kcv h VAL 247 Ca -0.38 -0.32 0.13 0.00 0.82 0.00 0.00 66.70 66.94 3kcv h VAL 247 Cb 1.22 1.20 -0.09 0.00 -1.52 0.00 0.00 31.29 32.10 3kcv h VAL 247 CO 0.65 0.09 0.41 -0.03 0.02 0.00 0.00 177.57 178.71 3kcv h MET 248 N -0.01 0.61 -0.14 1.57 1.85 -1.97 -1.39 114.93 115.45 3kcv h MET 248 Ca 0.02 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.06 3kcv h MET 248 Cb 0.12 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.01 3kcv h MET 248 CO -0.00 0.40 0.02 -0.91 -0.40 0.00 0.00 176.91 176.02 3kcv h ASN 249 N 0.63 0.22 -0.62 1.39 4.21 -1.79 -0.73 115.58 118.89 3kcv h ASN 249 Ca 0.42 -0.27 0.13 0.00 1.21 0.00 0.00 56.30 57.79 3kcv h ASN 249 Cb 0.54 -0.06 -0.11 0.00 -1.12 0.00 0.00 38.32 37.57 3kcv h ASN 249 CO -0.33 0.43 -0.06 0.15 -1.29 0.00 0.00 177.43 176.34 3kcv h PHE 250 N -0.00 -0.15 0.41 1.19 3.57 -0.74 0.16 116.94 121.38 3kcv h PHE 250 Ca 0.04 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 3kcv h PHE 250 Cb 0.31 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.22 3kcv h PHE 250 CO 0.02 -0.21 -0.20 0.82 -2.23 0.00 0.00 178.31 176.52 3kcv h ILE 251 N 0.07 0.43 0.01 1.41 2.04 -1.01 0.22 117.51 120.68 3kcv h ILE 251 Ca 0.32 -0.58 -0.21 0.00 1.00 0.00 0.00 64.86 65.38 3kcv h ILE 251 Cb 0.51 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 3kcv h ILE 251 CO -0.57 0.08 -0.98 0.71 0.00 0.00 0.00 178.15 177.39 3kcv h THR 252 N -0.95 1.67 0.00 -0.27 1.35 -1.04 -1.04 112.91 112.63 3kcv h THR 252 Ca -0.06 -3.26 -0.16 0.00 -0.55 0.00 0.00 66.41 62.38 3kcv h THR 252 Cb 0.55 2.78 -0.03 0.00 -1.73 0.00 0.00 68.15 69.73 3kcv h THR 252 CO 0.09 0.93 -1.00 0.44 -0.25 0.00 0.00 175.52 175.74 3kcv h ASP 253 N 0.01 0.00 0.00 5.36 3.45 -0.80 -3.44 116.42 121.00 3kcv h ASP 253 Ca -0.02 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.44 3kcv h ASP 253 Cb 1.71 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.48 3kcv h ASP 253 CO 0.13 0.67 0.00 -3.20 -1.57 0.00 0.00 179.24 175.27 3kcv n ASN 254 N -3.13 0.34 0.06 6.45 2.85 -0.89 -4.59 115.26 116.35 3kcv n ASN 254 Ca -0.04 0.35 -0.11 0.00 -0.11 0.00 0.00 54.58 54.67 3kcv n ASN 254 Cb 0.84 0.11 -0.05 0.00 1.24 0.00 0.00 39.78 41.92 3kcv n ASN 254 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3kcv h LEU 255 N 0.00 -0.32 0.01 1.20 5.85 -0.74 0.10 115.31 121.42 3kcv h LEU 255 Ca 0.00 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3kcv h LEU 255 Cb 0.00 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3kcv h LEU 255 CO 0.00 -0.16 -0.23 0.40 -0.34 0.00 0.00 178.44 178.10 3kcv h ILE 256 N -0.21 0.46 -0.18 4.05 5.03 -1.46 -0.31 117.51 124.90 3kcv h ILE 256 Ca 0.03 0.00 -0.19 0.00 -0.12 0.00 0.00 64.86 64.58 3kcv h ILE 256 Cb 0.24 0.46 0.00 0.00 -3.03 0.00 0.00 36.82 34.50 3kcv h ILE 256 CO -0.09 0.00 -0.64 -0.65 -0.68 0.00 0.00 178.15 176.09 3kcv h PRO 257 N -0.37 0.67 -0.51 2.37 0.11 -1.80 -1.87 132.00 130.61 3kcv h PRO 257 Ca 0.06 -0.48 -0.06 0.00 0.11 0.00 0.00 66.00 65.63 3kcv h PRO 257 Cb 0.45 0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 3kcv h PRO 257 CO -0.20 1.10 0.07 0.28 -0.21 0.00 0.00 178.00 179.03 3kcv h VAL 258 N 0.49 1.23 -0.19 3.15 2.07 -0.76 -1.03 116.25 121.21 3kcv h VAL 258 Ca -0.01 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 3kcv h VAL 258 Cb 1.23 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 3kcv h VAL 258 CO 0.13 0.32 0.03 0.74 0.02 0.00 0.00 177.57 178.81 3kcv h THR 259 N 0.76 1.23 -0.36 2.57 2.02 -0.89 0.12 112.91 118.36 3kcv h THR 259 Ca 0.16 -0.74 0.07 0.00 0.77 0.00 0.00 66.41 66.67 3kcv h THR 259 Cb 0.36 1.35 -0.06 0.00 -1.74 0.00 0.00 68.15 68.06 3kcv h THR 259 CO 0.01 0.23 -0.01 0.40 0.37 0.00 0.00 175.52 176.51 3kcv h ILE 260 N 0.10 0.71 -0.74 3.11 2.04 -1.11 -0.86 117.51 120.76 3kcv h ILE 260 Ca 0.06 -0.03 0.07 0.00 1.00 0.00 0.00 64.86 65.96 3kcv h ILE 260 Cb 0.32 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 3kcv h ILE 260 CO 0.00 0.02 0.42 1.23 0.00 0.00 0.00 178.15 179.82 3kcv h GLY 261 N 0.08 1.11 0.91 5.37 0.00 -0.94 -0.66 103.07 108.94 3kcv h GLY 261 Ca 0.18 -0.29 0.03 0.00 0.00 0.00 0.00 47.33 47.24 3kcv h GLY 261 CO -0.31 0.17 0.60 3.43 0.00 0.00 0.00 176.54 180.43 3kcv h ASN 262 N 0.76 1.02 0.42 0.19 -0.26 0.29 0.90 115.58 118.90 3kcv h ASN 262 Ca 0.34 -0.01 -0.15 0.00 -0.56 0.00 0.00 56.30 55.91 3kcv h ASN 262 Cb 0.23 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.24 3kcv h ASN 262 CO -0.20 0.71 -0.64 0.40 -1.06 0.00 0.00 177.43 176.64 3kcv h ILE 263 N 1.19 1.41 -0.17 2.81 2.04 -0.80 -1.82 117.51 122.17 3kcv h ILE 263 Ca 0.36 -2.09 -0.13 0.00 1.00 0.00 0.00 64.86 64.00 3kcv h ILE 263 Cb -0.04 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 3kcv h ILE 263 CO -0.11 0.61 -0.47 0.40 0.00 0.00 0.00 178.15 178.59 3kcv h ILE 264 N 0.15 1.32 0.00 -0.67 2.04 -0.54 0.14 117.51 119.95 3kcv h ILE 264 Ca -0.01 -1.67 0.00 0.00 1.00 0.00 0.00 64.86 64.18 3kcv h ILE 264 Cb 1.16 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 3kcv h ILE 264 CO 0.10 0.51 0.00 1.23 0.00 0.00 0.00 178.15 179.99 3kcv h GLY 265 N 1.17 0.00 0.00 5.37 0.00 -0.55 -0.08 103.07 108.98 3kcv h GLY 265 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3kcv h GLY 265 CO 0.08 0.00 -0.40 0.61 0.00 0.00 0.00 176.54 176.83 3kcv n GLY 266 N 0.01 -0.69 0.15 4.60 0.00 -0.71 -4.13 105.19 104.42 3kcv n GLY 266 Ca 0.01 -0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.00 3kcv n GLY 266 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcv n GLY 267 N 1.60 -0.85 0.08 -0.02 0.00 0.47 -0.87 105.19 105.59 3kcv n GLY 267 Ca -0.06 0.18 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 3kcv n GLY 267 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kcv h LEU 268 N 0.00 -0.04 -1.10 0.99 6.46 -1.15 0.76 115.31 121.23 3kcv h LEU 268 Ca 0.00 -0.67 -0.08 0.00 -0.12 0.00 0.00 57.88 57.01 3kcv h LEU 268 Cb 0.01 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 3kcv h LEU 268 CO 0.00 0.72 -0.26 -0.07 -0.62 0.00 0.00 178.44 178.21 3kcv h LEU 269 N -0.87 0.32 -0.08 2.25 3.38 -1.65 -1.25 115.31 117.40 3kcv h LEU 269 Ca -0.00 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3kcv h LEU 269 Cb 0.71 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 3kcv h LEU 269 CO 0.01 0.58 -0.29 0.58 0.09 0.00 0.00 178.44 179.40 3kcv h VAL 270 N 0.29 0.00 -0.00 1.22 2.07 -1.03 0.24 116.25 119.03 3kcv h VAL 270 Ca 0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.58 3kcv h VAL 270 Cb 0.61 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3kcv h VAL 270 CO 0.04 0.00 -0.30 1.23 0.02 0.00 0.00 177.57 178.56 3kcv h GLY 271 N -0.31 -1.25 0.00 2.17 0.00 -0.58 0.49 103.07 103.59 3kcv h GLY 271 Ca 0.02 0.64 0.00 0.00 0.00 0.00 0.00 47.33 47.99 3kcv h GLY 271 CO -0.24 -0.36 0.00 -0.10 0.00 0.00 0.00 176.54 175.83 3kcv n LEU 272 N -4.17 0.00 -0.30 3.11 7.94 -0.50 -2.15 117.00 120.94 3kcv n LEU 272 Ca -0.04 0.89 0.05 0.00 -1.11 0.00 0.00 56.01 55.80 3kcv n LEU 272 Cb 0.22 -0.39 0.13 0.00 0.53 0.00 0.00 43.42 43.91 3kcv n LEU 272 CO 0.07 -0.39 0.72 0.74 -1.11 0.00 0.00 177.39 177.42 3kcv h THR 273 N 0.00 0.17 -0.14 1.96 2.02 -0.53 -0.70 112.91 115.69 3kcv h THR 273 Ca 0.00 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.19 3kcv h THR 273 Cb 0.00 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.54 3kcv h THR 273 CO 0.00 0.00 -0.09 0.22 0.37 0.00 0.00 175.52 176.02 3kcv h TYR 274 N 0.02 -0.29 0.00 3.16 3.20 -0.55 -0.83 116.97 121.67 3kcv h TYR 274 Ca 0.43 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.23 3kcv h TYR 274 Cb 0.70 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.10 3kcv h TYR 274 CO -0.61 -0.06 -0.39 -1.49 -1.64 0.00 0.00 178.16 173.97 3kcv h TRP 275 N -0.01 0.00 0.22 -3.82 6.55 -0.65 -0.64 115.95 117.59 3kcv h TRP 275 Ca 0.02 0.00 0.01 0.00 0.95 0.00 0.00 58.89 59.87 3kcv h TRP 275 Cb 0.07 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 28.33 3kcv h TRP 275 CO -0.89 0.39 -0.50 0.28 -1.05 0.00 0.00 178.44 176.67 3kcv h VAL 276 N 0.00 0.04 -0.04 1.49 2.07 -0.48 0.84 116.25 120.17 3kcv h VAL 276 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3kcv h VAL 276 Cb 0.70 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3kcv h VAL 276 CO 0.05 0.00 0.00 -0.38 0.02 0.00 0.00 177.57 177.26 3kcv n ILE 277 N -5.50 0.05 -0.01 4.57 5.41 -0.39 -3.46 119.36 120.03 3kcv n ILE 277 Ca -0.09 -0.07 0.02 0.00 1.00 0.00 0.00 62.75 63.60 3kcv n ILE 277 Cb 0.42 -0.11 -0.13 0.00 -0.71 0.00 0.00 39.64 39.12 3kcv n ILE 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kcv n TYR 278 N -0.51 0.38 0.00 1.39 9.36 -0.23 -4.81 117.16 122.75 3kcv n TYR 278 Ca 0.11 0.12 0.00 0.00 3.32 0.00 0.00 57.90 61.45 3kcv n TYR 278 Cb 0.10 -0.86 0.00 0.00 -0.63 0.00 0.00 39.34 37.94 3kcv n TYR 278 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3kcv n LEU 279 N -2.63 0.00 -0.38 2.98 4.77 0.12 -5.02 117.00 116.85 3kcv n LEU 279 Ca -0.14 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 55.99 3kcv n LEU 279 Cb 0.82 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 42.53 3kcv n LEU 279 CO 0.44 0.00 0.92 0.54 -1.33 0.00 0.00 177.39 177.96