#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 -0.07 -0.19 1.57 0.11 -2.04 -0.78 132.00 130.59 3kcv h PRO 31 Ca 0.00 0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.98 3kcv h PRO 31 Cb 0.00 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 3kcv h PRO 31 CO 0.00 -0.05 -0.47 1.25 -0.21 0.00 0.00 178.00 178.52 3kcv h LEU 32 N -0.08 0.54 -0.14 2.35 5.85 -2.03 -1.23 115.31 120.57 3kcv h LEU 32 Ca 0.30 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3kcv h LEU 32 Cb 0.56 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3kcv h LEU 32 CO -0.76 0.92 0.06 0.50 -0.34 0.00 0.00 178.44 178.83 3kcv h LYS 33 N 0.40 0.14 -0.62 1.25 3.64 -1.74 -1.56 116.57 118.08 3kcv h LYS 33 Ca 0.02 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3kcv h LYS 33 Cb 0.97 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.73 3kcv h LYS 33 CO 0.09 0.09 0.40 1.15 -2.27 0.00 0.00 179.45 178.91 3kcv h THR 34 N 0.14 1.14 -0.51 1.00 2.02 -0.96 -0.73 112.91 115.00 3kcv h THR 34 Ca 0.06 -0.28 0.04 0.00 0.77 0.00 0.00 66.41 67.00 3kcv h THR 34 Cb 0.02 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 66.63 3kcv h THR 34 CO -0.04 0.15 0.28 0.15 0.37 0.00 0.00 175.52 176.42 3kcv h PHE 35 N 0.81 0.51 -0.48 3.16 3.57 -0.85 0.12 116.94 123.79 3kcv h PHE 35 Ca 0.23 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.69 3kcv h PHE 35 Cb -0.06 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 3kcv h PHE 35 CO -0.04 0.26 0.07 1.88 -2.23 0.00 0.00 178.31 178.25 3kcv h TYR 36 N 0.54 0.85 0.00 0.41 0.05 -0.79 0.21 116.97 118.24 3kcv h TYR 36 Ca 0.22 -0.12 -0.05 0.00 0.05 0.00 0.00 58.73 58.83 3kcv h TYR 36 Cb 0.10 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.60 3kcv h TYR 36 CO -0.09 0.79 -0.22 -0.07 -1.05 0.00 0.00 178.16 177.52 3kcv h LEU 37 N 0.67 0.00 -0.25 3.88 3.38 -0.99 -0.55 115.31 121.44 3kcv h LEU 37 Ca 0.14 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.91 3kcv h LEU 37 Cb 0.41 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.16 3kcv h LEU 37 CO 0.01 0.22 -0.71 0.00 0.09 0.00 0.00 178.44 178.05 3kcv h ALA 38 N 1.78 0.41 -0.47 1.53 0.00 -0.30 -1.29 119.26 120.91 3kcv h ALA 38 Ca -0.00 -0.58 0.04 0.00 0.00 0.00 0.00 54.91 54.37 3kcv h ALA 38 Cb 0.50 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3kcv h ALA 38 CO 0.03 0.70 0.24 0.82 0.00 0.00 0.00 179.25 181.03 3kcv h ILE 39 N 0.52 0.97 -0.58 0.00 2.04 -0.53 -1.28 117.51 118.65 3kcv h ILE 39 Ca -0.03 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 65.72 3kcv h ILE 39 Cb 1.33 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.81 3kcv h ILE 39 CO 0.14 0.09 0.29 0.74 0.00 0.00 0.00 178.15 179.41 3kcv h THR 40 N 0.47 0.93 -0.69 -0.27 2.02 -0.99 -1.62 112.91 112.76 3kcv h THR 40 Ca 0.20 -0.19 0.04 0.00 0.77 0.00 0.00 66.41 67.23 3kcv h THR 40 Cb 0.11 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 66.80 3kcv h THR 40 CO -0.14 0.10 0.42 0.00 0.37 0.00 0.00 175.52 176.27 3kcv h ALA 41 N 1.32 0.91 -0.87 6.16 0.00 -0.86 0.16 119.26 126.08 3kcv h ALA 41 Ca 0.26 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.26 3kcv h ALA 41 Cb 0.19 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 3kcv h ALA 41 CO -0.19 0.17 0.51 0.78 0.00 0.00 0.00 179.25 180.52 3kcv h GLY 42 N 0.81 1.36 1.04 0.00 0.00 -0.41 0.20 103.07 106.07 3kcv h GLY 42 Ca 0.29 -0.35 -0.13 0.00 0.00 0.00 0.00 47.33 47.13 3kcv h GLY 42 CO -0.13 0.16 -0.31 -2.08 0.00 0.00 0.00 176.54 174.17 3kcv h VAL 43 N 0.86 1.29 -0.76 4.60 2.07 -0.87 -2.29 116.25 121.15 3kcv h VAL 43 Ca 0.42 -1.48 0.03 0.00 0.82 0.00 0.00 66.70 66.49 3kcv h VAL 43 Cb 0.36 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 3kcv h VAL 43 CO -0.24 0.49 0.48 -0.26 0.02 0.00 0.00 177.57 178.05 3kcv h PHE 44 N 0.60 0.90 -0.02 1.57 -1.00 0.26 -0.24 116.94 119.01 3kcv h PHE 44 Ca 0.06 0.02 -0.17 0.00 2.81 0.00 0.00 57.97 60.70 3kcv h PHE 44 Cb 0.89 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 40.14 3kcv h PHE 44 CO 0.07 0.51 -0.74 0.97 -1.61 0.00 0.00 178.31 177.51 3kcv h ILE 45 N 0.93 1.46 -0.64 -0.55 6.09 -0.62 -1.69 117.51 122.49 3kcv h ILE 45 Ca 0.31 -2.36 -0.09 0.00 -1.37 0.00 0.00 64.86 61.35 3kcv h ILE 45 Cb 0.02 2.27 -0.02 0.00 0.47 0.00 0.00 36.82 39.56 3kcv h ILE 45 CO -0.12 0.69 0.06 0.28 -3.07 0.00 0.00 178.15 175.99 3kcv h SER 46 N 0.10 1.06 -0.81 2.19 0.02 -1.07 -1.91 113.55 113.13 3kcv h SER 46 Ca -0.02 -0.28 0.01 0.00 -0.84 0.00 0.00 61.79 60.66 3kcv h SER 46 Cb 1.30 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.52 3kcv h SER 46 CO 0.11 1.08 0.54 0.40 -1.14 0.00 0.00 176.83 177.82 3kcv h ILE 47 N 1.01 1.19 -0.04 3.27 2.04 -0.79 0.83 117.51 125.01 3kcv h ILE 47 Ca 0.19 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.70 3kcv h ILE 47 Cb 0.50 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 3kcv h ILE 47 CO 0.02 0.20 -0.07 0.00 0.00 0.00 0.00 178.15 178.29 3kcv h ALA 48 N 1.50 -0.04 -0.28 1.87 0.00 -0.76 -1.51 119.26 120.04 3kcv h ALA 48 Ca 0.30 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 3kcv h ALA 48 Cb -0.09 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3kcv h ALA 48 CO -0.07 -0.55 -0.28 0.74 0.00 0.00 0.00 179.25 179.09 3kcv h PHE 49 N -0.11 0.63 -0.00 0.00 0.04 -1.00 -2.02 116.94 114.48 3kcv h PHE 49 Ca 0.04 -0.15 -0.00 0.00 2.80 0.00 0.00 57.97 60.67 3kcv h PHE 49 Cb 0.17 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.17 3kcv h PHE 49 CO -0.16 0.78 0.00 0.28 -0.60 0.00 0.00 178.31 178.61 3kcv h VAL 50 N 0.48 1.05 -0.98 -0.55 2.07 -0.56 -0.98 116.25 116.79 3kcv h VAL 50 Ca 0.06 -0.16 0.10 0.00 0.82 0.00 0.00 66.70 67.53 3kcv h VAL 50 Cb 0.73 1.15 -0.08 0.00 -1.52 0.00 0.00 31.29 31.57 3kcv h VAL 50 CO 0.06 0.04 0.62 0.15 0.02 0.00 0.00 177.57 178.46 3kcv h PHE 51 N -0.06 1.13 -0.07 1.57 3.57 -1.13 0.44 116.94 122.39 3kcv h PHE 51 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3kcv h PHE 51 Cb 0.07 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.44 3kcv h PHE 51 CO -0.06 0.49 -0.01 -0.92 -2.23 0.00 0.00 178.31 175.58 3kcv h TYR 52 N 1.02 0.14 -0.28 0.41 3.20 -1.04 0.42 116.97 120.84 3kcv h TYR 52 Ca 0.47 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.34 3kcv h TYR 52 Cb 0.38 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 3kcv h TYR 52 CO -0.01 0.44 0.08 0.82 -1.64 0.00 0.00 178.16 177.84 3kcv h ILE 53 N -0.20 0.90 -0.95 1.81 1.08 -0.99 -1.56 117.51 117.60 3kcv h ILE 53 Ca 0.02 -0.07 0.06 0.00 -0.39 0.00 0.00 64.86 64.48 3kcv h ILE 53 Cb 0.39 0.69 -0.06 0.00 -3.07 0.00 0.00 36.82 34.76 3kcv h ILE 53 CO 0.01 0.04 0.62 0.74 -0.69 0.00 0.00 178.15 178.86 3kcv h THR 54 N 0.19 1.09 0.01 -0.27 2.02 -0.68 -1.48 112.91 113.80 3kcv h THR 54 Ca 0.13 -0.38 -0.23 0.00 0.77 0.00 0.00 66.41 66.69 3kcv h THR 54 Cb 0.11 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 3kcv h THR 54 CO -0.15 0.20 -0.97 0.00 0.37 0.00 0.00 175.52 174.97 3kcv h ALA 55 N 1.48 0.34 -0.01 6.16 0.00 -0.46 -3.28 119.26 123.48 3kcv h ALA 55 Ca 0.40 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3kcv h ALA 55 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kcv h ALA 55 CO -0.15 0.82 -0.25 0.25 0.00 0.00 0.00 179.25 179.92 3kcv n THR 56 N -3.73 0.00 -2.29 0.00 -2.24 -0.63 -4.87 114.28 100.51 3kcv n THR 56 Ca -0.07 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 3kcv n THR 56 Cb 0.85 0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 69.36 3kcv n THR 56 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3kcv s THR 57 N -2.54 4.00 0.00 4.28 2.01 -0.58 -3.43 115.64 119.37 3kcv s THR 57 Ca 0.24 1.27 0.00 0.00 0.31 0.00 0.00 61.69 63.51 3kcv s THR 57 Cb 0.19 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.88 3kcv s THR 57 CO 0.53 -0.07 0.00 0.61 -0.69 0.00 0.00 174.62 175.00 3kcv n GLY 58 N 3.69 0.91 2.57 4.40 0.00 -1.26 -5.02 105.19 110.48 3kcv n GLY 58 Ca 0.14 -0.37 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.30 1.32 0.18 2.61 -2.24 -1.22 -4.81 114.28 108.81 3kcv n THR 59 Ca 0.00 -2.91 0.02 0.00 -2.27 0.00 0.00 64.05 58.89 3kcv n THR 59 Cb 0.28 0.94 0.32 0.00 -2.10 0.00 0.00 70.33 69.77 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 2.37 0.00 1.84 3.38 0.00 -1.96 -3.01 103.07 105.69 3kcv h GLY 60 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 3kcv h GLY 60 CO 0.24 0.00 -0.23 0.00 0.00 0.00 0.00 176.54 176.56 3kcv h THR 61 N 0.00 0.10 -3.90 4.70 1.03 -2.01 -3.46 112.91 109.36 3kcv h THR 61 Ca -0.00 -1.15 -0.50 0.00 -0.01 0.00 0.00 66.41 64.75 3kcv h THR 61 Cb 0.76 1.97 0.02 0.00 -1.07 0.00 0.00 68.15 69.84 3kcv h THR 61 CO 0.06 0.06 0.45 -0.04 -0.01 0.00 0.00 175.52 176.04 3kcv s MET 62 N -3.20 4.30 0.20 0.00 1.00 -1.14 -4.99 119.30 115.47 3kcv s MET 62 Ca 0.05 1.68 -0.33 0.00 0.00 0.00 0.00 55.69 57.10 3kcv s MET 62 Cb 0.06 -2.79 -0.13 0.00 0.00 0.00 0.00 34.83 31.96 3kcv s MET 62 CO 0.70 -0.06 1.55 -2.30 0.00 0.00 0.00 175.02 174.91 3kcv n PRO 63 N 0.39 2.22 -0.25 2.03 -0.02 -1.26 -4.83 135.00 133.27 3kcv n PRO 63 Ca 0.03 0.80 0.01 0.00 -2.02 0.00 0.00 63.50 62.32 3kcv n PRO 63 Cb 0.47 -2.54 0.14 0.00 -0.02 0.00 0.00 33.50 31.55 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 5.46 0.66 -0.31 6.00 3.57 -1.94 -1.52 116.94 128.85 3kcv h PHE 64 Ca -0.45 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.15 3kcv h PHE 64 Cb 1.25 -0.19 -0.08 0.00 2.79 0.00 0.00 35.95 39.72 3kcv h PHE 64 CO 0.61 0.24 -0.36 0.78 -2.23 0.00 0.00 178.31 177.35 3kcv h GLY 65 N 0.62 -0.40 1.85 2.40 0.00 -1.95 -1.90 103.07 103.69 3kcv h GLY 65 Ca 0.35 0.45 -0.22 0.00 0.00 0.00 0.00 47.33 47.91 3kcv h GLY 65 CO -0.26 -0.21 -0.99 -0.33 0.00 0.00 0.00 176.54 174.75 3kcv h MET 66 N -0.33 0.12 0.08 4.80 2.86 -1.67 0.92 114.93 121.72 3kcv h MET 66 Ca 0.14 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3kcv h MET 66 Cb 0.56 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.28 3kcv h MET 66 CO -0.49 1.01 -0.04 0.00 1.06 0.00 0.00 176.91 178.45 3kcv h ALA 67 N 0.92 -0.11 -0.66 6.32 0.00 -1.41 -1.57 119.26 122.74 3kcv h ALA 67 Ca -0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3kcv h ALA 67 Cb 1.69 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 3kcv h ALA 67 CO 0.15 -0.56 0.30 0.87 0.00 0.00 0.00 179.25 180.01 3kcv h LYS 68 N -0.12 0.95 0.90 0.00 6.56 -1.24 -1.33 116.57 122.28 3kcv h LYS 68 Ca -0.01 -0.13 -0.04 0.00 -1.06 0.00 0.00 60.65 59.40 3kcv h LYS 68 Cb 0.09 -0.17 0.01 0.00 -0.57 0.00 0.00 32.23 31.59 3kcv h LYS 68 CO 0.02 0.75 -0.43 1.25 -2.06 0.00 0.00 179.45 178.97 3kcv h LEU 69 N 0.94 -1.02 -1.34 2.94 5.85 -0.63 0.30 115.31 122.36 3kcv h LEU 69 Ca 0.23 0.03 0.16 0.00 0.84 0.00 0.00 57.88 59.14 3kcv h LEU 69 Cb 0.12 0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 3kcv h LEU 69 CO -0.03 -0.73 0.58 0.58 -0.34 0.00 0.00 178.44 178.50 3kcv h VAL 70 N -1.21 0.79 -0.47 1.05 2.07 -1.29 -0.51 116.25 116.67 3kcv h VAL 70 Ca -0.12 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 3kcv h VAL 70 Cb 0.93 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3kcv h VAL 70 CO 0.20 0.11 0.26 1.23 0.02 0.00 0.00 177.57 179.39 3kcv h GLY 71 N 0.61 0.69 0.92 2.17 0.00 -0.91 -1.98 103.07 104.57 3kcv h GLY 71 Ca 0.46 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 3kcv h GLY 71 CO -0.21 0.30 0.12 -1.33 0.00 0.00 0.00 176.54 175.42 3kcv h GLY 72 N 0.61 0.55 0.98 4.60 0.00 0.27 0.31 103.07 110.40 3kcv h GLY 72 Ca 0.16 -0.32 0.10 0.00 0.00 0.00 0.00 47.33 47.27 3kcv h GLY 72 CO -0.03 0.30 0.44 -2.22 0.00 0.00 0.00 176.54 175.03 3kcv h ILE 73 N 0.39 0.91 0.00 2.60 2.04 -1.13 -0.70 117.51 121.62 3kcv h ILE 73 Ca 0.11 -0.17 -0.20 0.00 1.00 0.00 0.00 64.86 65.60 3kcv h ILE 73 Cb 0.22 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 3kcv h ILE 73 CO -0.01 0.09 -0.96 0.00 0.00 0.00 0.00 178.15 177.27 3kcv h PHE 75 N 0.00 0.00 0.00 0.00 3.57 0.55 -2.83 116.94 118.23 3kcv h PHE 75 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3kcv h PHE 75 Cb 1.72 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.46 3kcv h PHE 75 CO 0.00 0.18 0.00 -1.13 -2.23 0.00 0.00 178.31 175.13 3kcv n SER 76 N -3.95 0.51 -0.20 0.41 3.41 -0.84 -1.48 113.62 111.47 3kcv n SER 76 Ca -0.02 0.65 0.16 0.00 -0.26 0.00 0.00 58.87 59.40 3kcv n SER 76 Cb 0.26 -0.75 0.48 0.00 -0.26 0.00 0.00 64.21 63.94 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 0.45 -0.35 1.04 6.46 -1.70 -0.34 115.31 120.86 3kcv h LEU 77 Ca 0.00 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.84 3kcv h LEU 77 Cb 0.26 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.09 3kcv h LEU 77 CO 0.00 0.22 0.09 1.23 -0.62 0.00 0.00 178.44 179.36 3kcv h GLY 78 N 0.47 0.43 1.02 3.75 0.00 -1.49 0.16 103.07 107.41 3kcv h GLY 78 Ca 0.41 -0.04 -0.25 0.00 0.00 0.00 0.00 47.33 47.45 3kcv h GLY 78 CO -0.15 -0.00 -1.05 1.41 0.00 0.00 0.00 176.54 176.75 3kcv h LEU 79 N 0.22 0.72 -0.41 3.11 -0.00 -1.52 -1.68 115.31 115.77 3kcv h LEU 79 Ca 0.16 -0.85 0.08 0.00 -0.00 0.00 0.00 57.88 57.28 3kcv h LEU 79 Cb 0.17 -0.23 -0.08 0.00 -0.00 0.00 0.00 40.66 40.52 3kcv h LEU 79 CO -0.20 1.50 -0.13 0.40 -0.00 0.00 0.00 178.44 180.02 3kcv h ILE 80 N 0.05 0.54 0.06 1.22 2.04 -1.05 -1.49 117.51 118.87 3kcv h ILE 80 Ca -0.16 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.71 3kcv h ILE 80 Cb 1.76 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 3kcv h ILE 80 CO 0.20 0.00 -0.32 0.25 0.00 0.00 0.00 178.15 178.28 3kcv h LEU 81 N -0.04 -0.96 -0.64 1.44 5.85 -0.73 -1.08 115.31 119.16 3kcv h LEU 81 Ca 0.20 0.10 0.10 0.00 0.84 0.00 0.00 57.88 59.12 3kcv h LEU 81 Cb 0.34 0.35 -0.12 0.00 0.37 0.00 0.00 40.66 41.61 3kcv h LEU 81 CO -0.44 -0.33 -0.39 0.00 -0.34 0.00 0.00 178.44 176.95 3kcv h VAL 83 N -0.17 0.00 -1.27 0.00 2.07 -1.30 0.14 116.25 115.72 3kcv h VAL 83 Ca 0.22 -0.01 0.37 0.00 0.82 0.00 0.00 66.70 68.10 3kcv h VAL 83 Cb 0.56 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 3kcv h VAL 83 CO -0.72 0.00 1.08 0.58 0.02 0.00 0.00 177.57 178.53 3kcv h VAL 84 N -0.05 0.16 -0.01 2.57 2.07 -1.20 0.56 116.25 120.34 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 0.03 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 3kcv h VAL 84 CO 0.01 0.00 -0.51 0.00 0.02 0.00 0.00 177.57 177.09 3kcv n GLY 86 N 1.35 -3.15 2.81 0.00 0.00 0.20 -5.03 105.19 101.37 3kcv n GLY 86 Ca 0.08 0.77 -0.16 0.00 0.00 0.00 0.00 46.02 46.71 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 -0.91 -0.05 -0.04 4.61 0.00 -0.08 -4.98 121.76 120.30 3kcv s ALA 87 Ca -0.10 0.46 -0.30 0.00 0.00 0.00 0.00 51.96 52.02 3kcv s ALA 87 Cb 0.01 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 3kcv s ALA 87 CO 0.52 -0.30 1.41 0.34 0.00 0.00 0.00 175.76 177.73 3kcv s ASP 88 N 1.58 6.85 -0.09 0.00 -1.08 -1.19 -4.81 116.67 117.93 3kcv s ASP 88 Ca -0.04 2.04 0.00 0.00 -0.52 0.00 0.00 52.55 54.04 3kcv s ASP 88 Cb -0.12 -2.55 0.02 0.00 -1.46 0.00 0.00 42.92 38.81 3kcv s ASP 88 CO -0.05 -0.76 -0.08 -0.22 0.52 0.00 0.00 175.17 174.59 3kcv s LEU 89 N 2.89 1.25 -0.20 -1.34 2.96 -1.26 -3.81 118.68 119.17 3kcv s LEU 89 Ca 0.63 -0.27 -0.19 0.00 -0.22 0.00 0.00 54.13 54.09 3kcv s LEU 89 Cb -0.30 -0.77 -0.08 0.00 0.50 0.00 0.00 46.19 45.55 3kcv s LEU 89 CO 0.25 -0.08 0.73 0.33 -1.32 0.00 0.00 176.35 176.25 3kcv n PHE 90 N 4.62 0.62 -0.00 5.38 7.35 -1.26 -0.37 117.46 133.79 3kcv n PHE 90 Ca -0.16 0.40 0.00 0.00 -0.76 0.00 0.00 57.45 56.94 3kcv n PHE 90 Cb 0.50 -0.91 0.00 0.00 0.35 0.00 0.00 39.48 39.42 3kcv n PHE 90 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3kcv n THR 91 N 2.01 0.00 -0.35 -2.13 -2.24 -1.26 -4.81 114.28 105.50 3kcv n THR 91 Ca 0.16 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.05 3kcv n THR 91 Cb -0.02 -0.00 0.28 0.00 -2.10 0.00 0.00 70.33 68.49 3kcv n THR 91 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3kcv h SER 92 N 0.00 0.81 -0.74 3.42 4.64 -1.11 -1.49 113.55 119.07 3kcv h SER 92 Ca 0.00 0.08 -0.32 0.00 -0.47 0.00 0.00 61.79 61.08 3kcv h SER 92 Cb 0.00 -0.07 -0.19 0.00 -0.31 0.00 0.00 62.40 61.83 3kcv h SER 92 CO 0.00 0.35 0.35 0.35 -0.87 0.00 0.00 176.83 177.00 3kcv n THR 93 N -4.73 2.94 -0.18 2.95 -2.24 -1.26 -4.45 114.28 107.31 3kcv n THR 93 Ca 0.21 -1.99 -0.01 0.00 -2.27 0.00 0.00 64.05 59.98 3kcv n THR 93 Cb 0.48 -0.39 0.07 0.00 -2.10 0.00 0.00 70.33 68.39 3kcv n THR 93 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3kcv h VAL 94 N 1.60 0.53 0.03 2.28 2.07 -1.64 -2.11 116.25 119.01 3kcv h VAL 94 Ca 0.40 -0.03 -0.22 0.00 0.82 0.00 0.00 66.70 67.67 3kcv h VAL 94 Cb 2.38 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 3kcv h VAL 94 CO 0.80 0.01 -0.97 -0.07 0.02 0.00 0.00 177.57 177.36 3kcv h LEU 95 N 0.08 0.32 -0.24 2.57 3.38 -1.85 -2.21 115.31 117.37 3kcv h LEU 95 Ca 0.27 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3kcv h LEU 95 Cb 0.43 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 3kcv h LEU 95 CO -0.49 1.12 -0.12 0.40 0.09 0.00 0.00 178.44 179.45 3kcv h ILE 96 N 0.12 0.63 -0.84 1.22 5.03 -1.86 -0.67 117.51 121.13 3kcv h ILE 96 Ca -0.07 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.69 3kcv h ILE 96 Cb 1.64 0.63 -0.04 0.00 -3.03 0.00 0.00 36.82 36.01 3kcv h ILE 96 CO 0.15 0.00 0.55 0.58 -0.68 0.00 0.00 178.15 178.76 3kcv h VAL 97 N -0.09 1.19 -0.57 1.67 2.07 -1.21 0.85 116.25 120.15 3kcv h VAL 97 Ca 0.13 -0.38 -0.10 0.00 0.82 0.00 0.00 66.70 67.17 3kcv h VAL 97 Cb 0.28 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 3kcv h VAL 97 CO -0.30 0.20 -0.04 0.58 0.02 0.00 0.00 177.57 178.04 3kcv h VAL 98 N 1.10 1.27 0.00 2.57 2.07 -1.08 -3.09 116.25 119.09 3kcv h VAL 98 Ca 0.31 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.58 3kcv h VAL 98 Cb -0.08 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3kcv h VAL 98 CO -0.08 0.43 -0.33 0.00 0.02 0.00 0.00 177.57 177.61 3kcv h ALA 99 N 0.96 1.04 -0.13 1.67 0.00 -0.13 -1.27 119.26 121.39 3kcv h ALA 99 Ca 0.16 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3kcv h ALA 99 Cb 0.60 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3kcv h ALA 99 CO 0.04 0.41 0.10 1.63 0.00 0.00 0.00 179.25 181.42 3kcv n LYS 100 N -3.55 1.19 0.00 0.00 5.02 0.20 -2.57 118.16 118.46 3kcv n LYS 100 Ca -0.00 -0.42 0.00 0.00 -2.02 0.00 0.00 58.31 55.87 3kcv n LYS 100 Cb 0.47 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 3kcv n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kcv n ALA 101 N 0.64 0.00 -2.08 7.82 0.00 -1.03 -4.99 120.51 120.88 3kcv n ALA 101 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.35 3kcv n ALA 101 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 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 0.00 -4.88 -3.54 0.00 7.64 -0.81 -0.93 113.62 111.11 3kcv n SER 102 Ca 0.00 0.20 -0.19 0.00 1.01 0.00 0.00 58.87 59.90 3kcv n SER 102 Cb 0.17 -4.20 0.07 0.00 -1.01 0.00 0.00 64.21 59.25 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 -0.70 -0.33 0.00 0.23 0.00 -0.55 -4.90 105.19 98.94 3kcv n GLY 103 Ca -0.19 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3kcv n GLY 103 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kcv n ARG 104 N -4.19 0.00 -2.17 1.61 1.85 -0.10 -4.88 116.66 108.78 3kcv n ARG 104 Ca -0.29 -0.14 -0.27 0.00 -1.00 0.00 0.00 57.85 56.15 3kcv n ARG 104 Cb 0.67 -0.51 0.05 0.00 -1.05 0.00 0.00 32.46 31.63 3kcv n ARG 104 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 3kcv s ILE 105 N -0.00 3.00 0.34 8.89 2.07 -1.25 -5.09 121.20 129.16 3kcv s ILE 105 Ca 0.00 0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.25 3kcv s ILE 105 Cb 0.00 -3.27 -0.04 0.00 0.13 0.00 0.00 42.46 39.29 3kcv s ILE 105 CO 0.00 -0.30 0.56 0.42 -1.91 0.00 0.00 174.94 173.71 3kcv s THR 106 N -3.22 5.08 0.03 4.00 -4.23 -1.26 -4.99 115.64 111.05 3kcv s THR 106 Ca 0.58 -0.30 -0.18 0.00 -1.18 0.00 0.00 61.69 60.61 3kcv s THR 106 Cb -0.11 -3.83 -0.26 0.00 1.34 0.00 0.00 72.50 69.65 3kcv s THR 106 CO 0.47 -0.52 1.10 -0.50 -0.54 0.00 0.00 174.62 174.63 3kcv h TRP 107 N 0.96 0.80 -0.55 3.99 6.55 -1.98 -0.62 115.95 125.10 3kcv h TRP 107 Ca -0.49 -0.47 0.10 0.00 0.95 0.00 0.00 58.89 58.98 3kcv h TRP 107 Cb 1.21 -0.08 -0.08 0.00 -0.86 0.00 0.00 29.16 29.35 3kcv h TRP 107 CO 0.53 1.30 0.12 0.78 -1.05 0.00 0.00 178.44 180.12 3kcv h GLY 108 N 0.07 0.69 2.00 1.49 0.00 -1.97 0.31 103.07 105.67 3kcv h GLY 108 Ca -0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 3kcv h GLY 108 CO 0.17 -0.09 -0.12 1.46 0.00 0.00 0.00 176.54 177.96 3kcv h GLN 109 N 0.25 0.00 0.00 4.80 4.20 -1.97 -2.26 115.11 120.13 3kcv h GLN 109 Ca 0.28 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.91 3kcv h GLN 109 Cb 0.40 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3kcv h GLN 109 CO -0.36 0.12 -0.86 1.25 -0.67 0.00 0.00 178.83 178.31 3kcv h LEU 110 N 0.00 0.00 -3.86 1.46 6.46 0.11 -3.41 115.31 116.08 3kcv h LEU 110 Ca -0.00 0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.56 3kcv h LEU 110 Cb 0.42 0.00 -0.35 0.00 -0.73 0.00 0.00 40.66 40.00 3kcv h LEU 110 CO 0.02 0.32 -0.94 0.00 -0.62 0.00 0.00 178.44 177.21 3kcv n ALA 111 N -2.25 2.61 -0.50 1.25 0.00 0.20 -4.99 120.51 116.83 3kcv n ALA 111 Ca -0.02 -2.23 0.00 0.00 0.00 0.00 0.00 53.44 51.18 3kcv n ALA 111 Cb 0.69 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.39 3kcv n ALA 111 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3kcv n LYS 112 N -0.06 0.00 0.00 0.00 2.85 -0.86 -4.04 118.16 116.06 3kcv n LYS 112 Ca 0.01 0.51 0.05 0.00 -1.05 0.00 0.00 58.31 57.83 3kcv n LYS 112 Cb 0.97 -1.25 0.29 0.00 -0.65 0.00 0.00 35.03 34.39 3kcv n LYS 112 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3kcv n ASN 113 N -1.63 0.00 -0.25 -5.58 5.03 -1.26 -4.30 115.26 107.26 3kcv n ASN 113 Ca 0.00 -0.49 0.04 0.00 0.87 0.00 0.00 54.58 55.00 3kcv n ASN 113 Cb 0.00 0.00 0.13 0.00 -1.02 0.00 0.00 39.78 38.89 3kcv n ASN 113 CO 0.00 0.00 0.00 -0.50 -1.83 0.00 0.00 177.26 174.93 3kcv h TRP 114 N 0.00 -0.14 -0.62 3.10 4.06 -1.99 0.15 115.95 120.52 3kcv h TRP 114 Ca 0.00 0.06 -0.08 0.00 2.06 0.00 0.00 58.89 60.93 3kcv h TRP 114 Cb 0.00 0.17 -0.03 0.00 -1.00 0.00 0.00 29.16 28.31 3kcv h TRP 114 CO 0.00 -0.25 0.08 1.25 -3.56 0.00 0.00 178.44 175.96 3kcv h LEU 115 N 0.07 0.97 -0.57 -4.49 5.85 -1.91 0.14 115.31 115.37 3kcv h LEU 115 Ca 0.39 -0.23 -0.11 0.00 0.84 0.00 0.00 57.88 58.77 3kcv h LEU 115 Cb 0.66 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3kcv h LEU 115 CO -0.67 0.98 -0.08 -1.13 -0.34 0.00 0.00 178.44 177.20 3kcv h ASN 116 N 0.95 1.05 -0.20 1.25 -1.24 -1.14 -1.79 115.58 114.46 3kcv h ASN 116 Ca 0.19 -0.34 -0.00 0.00 0.71 0.00 0.00 56.30 56.86 3kcv h ASN 116 Cb 0.44 -0.29 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 3kcv h ASN 116 CO 0.01 1.14 0.11 0.58 -1.29 0.00 0.00 177.43 177.98 3kcv h VAL 117 N 0.94 1.11 -0.36 2.57 2.07 -0.63 -1.37 116.25 120.59 3kcv h VAL 117 Ca 0.15 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 67.46 3kcv h VAL 117 Cb 0.65 0.94 -0.08 0.00 -1.52 0.00 0.00 31.29 31.28 3kcv h VAL 117 CO 0.04 0.10 -0.17 0.22 0.02 0.00 0.00 177.57 177.79 3kcv h TYR 118 N 0.22 -0.42 -0.56 1.57 3.20 -0.53 0.36 116.97 120.80 3kcv h TYR 118 Ca 0.07 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 3kcv h TYR 118 Cb 0.07 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 3kcv h TYR 118 CO -0.04 -0.25 0.02 0.35 -1.64 0.00 0.00 178.16 176.61 3kcv h PHE 119 N -0.11 1.02 -0.57 -3.82 3.57 -1.25 -1.57 116.94 114.20 3kcv h PHE 119 Ca 0.18 -0.15 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 3kcv h PHE 119 Cb 0.39 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 3kcv h PHE 119 CO -0.39 0.90 0.22 0.78 -2.23 0.00 0.00 178.31 177.58 3kcv h GLY 120 N 1.00 0.92 0.54 2.40 0.00 -0.54 -0.82 103.07 106.57 3kcv h GLY 120 Ca 0.17 -0.51 0.03 0.00 0.00 0.00 0.00 47.33 47.02 3kcv h GLY 120 CO 0.02 0.48 -0.17 3.43 0.00 0.00 0.00 176.54 180.31 3kcv h ASN 121 N 0.78 -0.49 -0.86 0.19 -0.26 0.15 -1.25 115.58 113.83 3kcv h ASN 121 Ca 0.19 0.08 0.02 0.00 -0.56 0.00 0.00 56.30 56.02 3kcv h ASN 121 Cb 0.22 0.22 -0.05 0.00 -1.06 0.00 0.00 38.32 37.65 3kcv h ASN 121 CO -0.01 -0.22 0.57 0.25 -1.06 0.00 0.00 177.43 176.95 3kcv h LEU 122 N -0.25 0.97 -0.12 1.61 5.85 -1.14 -0.13 115.31 122.11 3kcv h LEU 122 Ca 0.07 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.78 3kcv h LEU 122 Cb 0.34 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3kcv h LEU 122 CO -0.19 0.69 0.06 0.58 -0.34 0.00 0.00 178.44 179.24 3kcv h VAL 123 N 1.14 1.00 -0.35 1.05 2.07 -0.90 0.91 116.25 121.17 3kcv h VAL 123 Ca 0.32 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.86 3kcv h VAL 123 Cb -0.09 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 3kcv h VAL 123 CO -0.08 0.02 0.02 1.23 0.02 0.00 0.00 177.57 178.78 3kcv h GLY 124 N 0.12 0.36 0.88 2.17 0.00 -0.72 -0.48 103.07 105.41 3kcv h GLY 124 Ca 0.05 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 3kcv h GLY 124 CO -0.03 -0.06 0.04 0.00 0.00 0.00 0.00 176.54 176.49 3kcv h ALA 125 N 1.29 0.12 -0.47 3.60 0.00 -0.59 -1.76 119.26 121.46 3kcv h ALA 125 Ca 0.17 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3kcv h ALA 125 Cb 0.22 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 3kcv h ALA 125 CO -0.26 -0.30 0.11 -0.07 0.00 0.00 0.00 179.25 178.73 3kcv h LEU 126 N 0.02 0.04 -0.71 0.00 3.38 -0.76 0.37 115.31 117.65 3kcv h LEU 126 Ca 0.03 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.14 3kcv h LEU 126 Cb 0.14 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 3kcv h LEU 126 CO -0.00 0.05 0.40 -0.07 0.09 0.00 0.00 178.44 178.91 3kcv h LEU 127 N 0.25 0.59 -0.62 1.67 3.38 -0.87 -1.72 115.31 117.99 3kcv h LEU 127 Ca 0.23 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.11 3kcv h LEU 127 Cb 0.29 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3kcv h LEU 127 CO -0.29 0.38 -0.25 0.15 0.09 0.00 0.00 178.44 178.52 3kcv h PHE 128 N 0.73 0.95 -0.72 1.13 3.57 -0.68 -1.90 116.94 120.02 3kcv h PHE 128 Ca 0.32 -0.23 0.08 0.00 3.53 0.00 0.00 57.97 61.67 3kcv h PHE 128 Cb 0.20 -0.22 -0.07 0.00 2.79 0.00 0.00 35.95 38.66 3kcv h PHE 128 CO -0.07 0.99 0.38 0.28 -2.23 0.00 0.00 178.31 177.66 3kcv h VAL 129 N 0.71 0.91 -0.05 1.41 2.07 -0.46 0.21 116.25 121.05 3kcv h VAL 129 Ca 0.09 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3kcv h VAL 129 Cb 0.79 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3kcv h VAL 129 CO 0.07 0.12 0.03 0.25 0.02 0.00 0.00 177.57 178.06 3kcv h LEU 130 N 0.67 0.06 -0.64 2.57 5.85 -0.72 0.89 115.31 123.99 3kcv h LEU 130 Ca 0.34 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 59.03 3kcv h LEU 130 Cb 0.29 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 3kcv h LEU 130 CO -0.23 0.11 0.39 0.25 -0.34 0.00 0.00 178.44 178.62 3kcv h LEU 131 N 0.00 0.61 -0.67 2.25 5.85 -1.10 0.24 115.31 122.50 3kcv h LEU 131 Ca 0.02 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3kcv h LEU 131 Cb 0.06 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3kcv h LEU 131 CO -0.00 0.42 0.29 -0.03 -0.34 0.00 0.00 178.44 178.78 3kcv h MET 132 N 0.74 0.99 0.07 1.25 4.05 -0.59 -0.13 114.93 121.31 3kcv h MET 132 Ca 0.27 -0.16 -0.00 0.00 -0.28 0.00 0.00 59.70 59.52 3kcv h MET 132 Cb 0.07 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 30.70 3kcv h MET 132 CO -0.13 0.81 -0.03 2.35 0.23 0.00 0.00 176.91 180.14 3kcv h TRP 133 N 0.95 -0.08 -0.28 1.39 2.91 -0.35 -2.93 115.95 117.55 3kcv h TRP 133 Ca 0.23 -0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.31 3kcv h TRP 133 Cb 0.17 0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.83 3kcv h TRP 133 CO 0.01 0.09 0.20 -0.07 -1.03 0.00 0.00 178.44 177.64 3kcv h LEU 134 N -0.25 0.06 -0.34 0.65 3.38 -0.35 -0.64 115.31 117.82 3kcv h LEU 134 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kcv h LEU 134 Cb 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3kcv h LEU 134 CO 0.02 0.04 0.00 -1.54 0.09 0.00 0.00 178.44 177.05 3kcv n SER 135 N -4.47 0.27 -3.45 -0.43 3.41 -0.12 -4.88 113.62 103.95 3kcv n SER 135 Ca 0.03 0.58 -0.21 0.00 -0.26 0.00 0.00 58.87 59.01 3kcv n SER 135 Cb 0.31 -0.63 0.08 0.00 -0.26 0.00 0.00 64.21 63.71 3kcv n SER 135 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kcv n GLY 136 N -0.24 -0.45 0.07 5.00 0.00 -0.25 -4.90 105.19 104.43 3kcv n GLY 136 Ca 0.02 0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.34 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 -4.59 0.48 0.21 1.61 4.07 -1.26 -3.90 120.64 117.27 3kcv n GLU 137 Ca -0.09 0.03 0.13 0.00 -0.06 0.00 0.00 57.16 57.17 3kcv n GLU 137 Cb 0.60 -1.69 0.71 0.00 -0.06 0.00 0.00 31.44 30.99 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 -0.26 4.31 -0.00 -1.90 0.18 116.97 119.30 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 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.62 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 -2.44 2.04 -1.80 0.10 2.81 -1.25 -1.15 117.12 115.43 3kcv n MET 139 Ca -0.02 -1.56 -0.42 0.00 -1.81 0.00 0.00 57.70 53.90 3kcv n MET 139 Cb 0.10 -1.44 -0.02 0.00 -0.71 0.00 0.00 33.22 31.15 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 -1.67 2.15 -1.09 2.03 2.01 0.64 -1.92 115.64 117.79 3kcv s THR 140 Ca 0.34 0.12 -0.05 0.00 0.31 0.00 0.00 61.69 62.41 3kcv s THR 140 Cb 0.19 -3.08 0.01 0.00 0.01 0.00 0.00 72.50 69.63 3kcv s THR 140 CO 0.28 0.02 0.71 0.00 -0.69 0.00 0.00 174.62 174.94 3kcv n ALA 141 N 2.69 -0.88 -3.71 7.40 0.00 -1.26 -1.93 120.51 122.82 3kcv n ALA 141 Ca 0.10 0.27 -0.25 0.00 0.00 0.00 0.00 53.44 53.56 3kcv n ALA 141 Cb 0.37 -3.78 0.05 0.00 0.00 0.00 0.00 19.45 16.10 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 -1.71 -4.19 0.00 0.00 4.05 -0.87 -2.76 115.26 109.79 3kcv n ASN 142 Ca -0.03 -0.69 0.00 0.00 0.45 0.00 0.00 54.58 54.31 3kcv n ASN 142 Cb 0.56 -4.44 0.00 0.00 1.23 0.00 0.00 39.78 37.13 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 -1.69 1.06 0.21 8.20 0.00 -0.81 -4.30 105.19 107.87 3kcv n GLY 143 Ca -0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 3.40 0.00 0.57 1.61 1.08 -1.32 0.21 115.11 120.66 3kcv h GLN 144 Ca 0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 3kcv h GLN 144 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3kcv h GLN 144 CO 0.00 0.23 -0.29 2.35 -0.95 0.00 0.00 178.83 180.18 3kcv h TRP 145 N 0.00 -0.75 -0.99 2.96 7.01 -1.57 0.67 115.95 123.29 3kcv h TRP 145 Ca -0.00 -0.02 0.12 0.00 2.11 0.00 0.00 58.89 61.10 3kcv h TRP 145 Cb 0.42 0.25 -0.08 0.00 -2.10 0.00 0.00 29.16 27.64 3kcv h TRP 145 CO 0.00 -0.46 0.62 0.78 -2.79 0.00 0.00 178.44 176.59 3kcv h GLY 146 N -0.78 1.62 0.96 2.65 0.00 -0.25 -1.92 103.07 105.34 3kcv h GLY 146 Ca -0.08 -0.41 -0.09 0.00 0.00 0.00 0.00 47.33 46.75 3kcv h GLY 146 CO 0.12 0.15 -0.11 -2.00 0.00 0.00 0.00 176.54 174.70 3kcv h LEU 147 N 0.97 0.73 -1.60 3.11 5.85 -0.79 -1.30 115.31 122.28 3kcv h LEU 147 Ca 0.49 -0.37 0.08 0.00 0.84 0.00 0.00 57.88 58.92 3kcv h LEU 147 Cb 0.49 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3kcv h LEU 147 CO -0.27 0.94 0.39 -1.13 -0.34 0.00 0.00 178.44 178.03 3kcv h ASN 148 N 0.52 0.42 -0.09 1.25 -1.24 -0.19 -0.14 115.58 116.10 3kcv h ASN 148 Ca 0.09 0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.08 3kcv h ASN 148 Cb 0.63 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 39.59 3kcv h ASN 148 CO 0.04 0.26 -0.05 0.58 -1.29 0.00 0.00 177.43 176.97 3kcv h VAL 149 N 0.47 1.33 -0.72 2.57 2.07 -1.12 -1.14 116.25 119.71 3kcv h VAL 149 Ca 0.26 -1.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 3kcv h VAL 149 Cb 0.42 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 3kcv h VAL 149 CO -0.07 0.31 0.24 -0.07 0.02 0.00 0.00 177.57 178.00 3kcv h LEU 150 N -0.17 1.02 -0.39 2.57 3.38 -0.50 0.79 115.31 122.02 3kcv h LEU 150 Ca 0.02 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.65 3kcv h LEU 150 Cb 0.52 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3kcv h LEU 150 CO 0.02 0.95 -0.32 1.56 0.09 0.00 0.00 178.44 180.73 3kcv h GLN 151 N 1.04 0.90 0.38 1.13 4.20 -1.11 -0.18 115.11 121.48 3kcv h GLN 151 Ca 0.23 -0.45 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 3kcv h GLN 151 Cb 0.28 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3kcv h GLN 151 CO -0.01 1.10 -0.18 1.15 -0.67 0.00 0.00 178.83 180.22 3kcv h THR 152 N 0.71 0.60 -0.13 -0.54 2.02 -1.01 -1.66 112.91 112.91 3kcv h THR 152 Ca 0.07 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 3kcv h THR 152 Cb 0.91 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 3kcv h THR 152 CO 0.08 0.08 0.07 0.00 0.37 0.00 0.00 175.52 176.13 3kcv h ALA 153 N -0.28 1.89 0.55 6.16 0.00 -0.92 -2.62 119.26 124.04 3kcv h ALA 153 Ca -0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3kcv h ALA 153 Cb 0.52 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.26 3kcv h ALA 153 CO 0.09 0.10 -0.26 0.22 0.00 0.00 0.00 179.25 179.39 3kcv h ASP 154 N 0.17 -0.62 -0.97 0.00 3.58 -0.94 -3.15 116.42 114.50 3kcv h ASP 154 Ca 0.05 0.02 0.30 0.00 0.42 0.00 0.00 57.03 57.82 3kcv h ASP 154 Cb 0.00 0.16 -0.15 0.00 1.72 0.00 0.00 39.33 41.06 3kcv h ASP 154 CO -0.01 -0.32 0.44 -0.74 -2.88 0.00 0.00 179.24 175.74 3kcv h HIS 155 N -0.99 0.71 0.00 0.28 2.76 -1.16 0.88 115.15 117.64 3kcv h HIS 155 Ca -0.07 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.10 3kcv h HIS 155 Cb 0.56 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.36 3kcv h HIS 155 CO 0.03 -0.22 -0.18 0.87 -1.30 0.00 0.00 177.93 177.13 3kcv h LYS 156 N 0.25 0.00 -0.42 5.26 1.57 -1.46 -2.40 116.57 119.37 3kcv h LYS 156 Ca 0.68 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.46 3kcv h LYS 156 Cb 1.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.84 3kcv h LYS 156 CO -0.65 0.18 0.00 1.33 -0.57 0.00 0.00 179.45 179.75 3kcv n VAL 157 N -4.26 0.59 -1.52 0.50 0.24 0.30 -4.12 118.33 110.07 3kcv n VAL 157 Ca -0.02 -0.55 -0.31 0.00 -2.04 0.00 0.00 64.34 61.42 3kcv n VAL 157 Cb 0.25 0.22 0.07 0.00 -1.47 0.00 0.00 33.84 32.91 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 0.64 3.03 -4.33 6.34 8.25 -0.90 -4.89 115.22 123.37 3kcv n HIS 158 Ca 0.13 -2.73 -0.34 0.00 -0.26 0.00 0.00 57.72 54.53 3kcv n HIS 158 Cb 0.36 -1.10 -0.12 0.00 1.12 0.00 0.00 29.99 30.26 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 -3.73 3.07 0.35 4.41 3.76 -1.26 -5.09 115.29 116.80 3kcv s HIS 159 Ca 0.60 -0.22 -0.28 0.00 -0.15 0.00 0.00 55.06 55.01 3kcv s HIS 159 Cb 0.48 -1.98 -0.10 0.00 1.11 0.00 0.00 32.58 32.09 3kcv s HIS 159 CO 0.01 0.01 1.32 0.95 -0.85 0.00 0.00 174.74 176.18 3kcv s THR 160 N 0.35 2.63 0.29 1.30 -4.23 -1.26 -4.72 115.64 109.99 3kcv s THR 160 Ca -0.03 0.62 0.02 0.00 -1.18 0.00 0.00 61.69 61.12 3kcv s THR 160 Cb -0.14 -3.39 0.31 0.00 1.34 0.00 0.00 72.50 70.62 3kcv s THR 160 CO 0.02 0.14 1.65 0.15 -0.54 0.00 0.00 174.62 176.04 3kcv h PHE 161 N 3.20 0.33 -0.33 3.99 3.57 -1.96 0.32 116.94 126.06 3kcv h PHE 161 Ca -0.49 0.05 -0.09 0.00 3.53 0.00 0.00 57.97 60.97 3kcv h PHE 161 Cb 1.23 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 3kcv h PHE 161 CO 0.55 -0.21 -0.13 0.82 -2.23 0.00 0.00 178.31 177.11 3kcv h ILE 162 N 0.20 1.29 -0.70 1.41 2.04 -1.99 -1.38 117.51 118.39 3kcv h ILE 162 Ca 0.54 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 3kcv h ILE 162 Cb 1.09 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 3kcv h ILE 162 CO -0.66 0.40 0.38 -0.33 0.00 0.00 0.00 178.15 177.94 3kcv h GLU 163 N 0.45 0.97 -0.70 2.37 5.08 -0.81 -0.39 114.58 121.55 3kcv h GLU 163 Ca 0.08 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3kcv h GLU 163 Cb 0.65 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 3kcv h GLU 163 CO 0.04 0.73 0.19 0.00 -1.00 0.00 0.00 179.01 178.97 3kcv h ALA 164 N 1.19 1.01 -0.38 3.43 0.00 -1.04 0.65 119.26 124.11 3kcv h ALA 164 Ca 0.25 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3kcv h ALA 164 Cb 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3kcv h ALA 164 CO -0.04 0.65 0.18 0.28 0.00 0.00 0.00 179.25 180.32 3kcv h VAL 165 N 1.06 1.17 -0.10 0.00 2.07 -0.86 -1.21 116.25 118.38 3kcv h VAL 165 Ca 0.22 -0.51 -0.12 0.00 0.82 0.00 0.00 66.70 67.12 3kcv h VAL 165 Cb 0.34 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3kcv h VAL 165 CO -0.00 0.19 -0.46 0.00 0.02 0.00 0.00 177.57 177.31 3kcv h LEU 167 N 0.20 0.00 -0.10 0.00 3.38 -0.81 -1.27 115.31 116.71 3kcv h LEU 167 Ca 0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 3kcv h LEU 167 Cb 0.90 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.66 3kcv h LEU 167 CO 0.07 0.53 -0.49 1.23 0.09 0.00 0.00 178.44 179.87 3kcv h GLY 168 N 2.37 0.56 0.46 0.83 0.00 -0.26 -1.09 103.07 105.93 3kcv h GLY 168 Ca -0.01 -0.79 0.01 0.00 0.00 0.00 0.00 47.33 46.55 3kcv h GLY 168 CO 0.07 0.70 -0.34 -2.22 0.00 0.00 0.00 176.54 174.75 3kcv h ILE 169 N 0.10 0.28 -0.96 2.60 2.04 -0.21 -2.31 117.51 119.05 3kcv h ILE 169 Ca -0.03 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.92 3kcv h ILE 169 Cb 1.13 0.28 -0.07 0.00 -0.74 0.00 0.00 36.82 37.42 3kcv h ILE 169 CO 0.10 0.00 0.62 -0.07 0.00 0.00 0.00 178.15 178.80 3kcv h LEU 170 N -0.61 0.92 0.25 1.44 3.38 -1.22 -1.40 115.31 118.07 3kcv h LEU 170 Ca 0.02 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3kcv h LEU 170 Cb 0.61 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3kcv h LEU 170 CO -0.17 0.55 -0.12 0.00 0.09 0.00 0.00 178.44 178.79 3kcv h ALA 171 N 1.52 -0.34 0.00 1.53 0.00 -1.04 -3.11 119.26 117.82 3kcv h ALA 171 Ca 0.44 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kcv h ALA 171 Cb 0.35 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3kcv h ALA 171 CO -0.20 -0.43 0.00 -0.97 0.00 0.00 0.00 179.25 177.65 3kcv h ASN 172 N -0.86 0.00 0.15 0.00 -1.24 -1.31 -1.63 115.58 110.69 3kcv h ASN 172 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.98 3kcv h ASN 172 Cb 0.51 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.55 3kcv h ASN 172 CO 0.06 0.00 -0.15 -0.07 -1.29 0.00 0.00 177.43 175.98 3kcv h LEU 173 N 0.00 -0.39 -0.66 0.34 3.38 -1.20 -1.50 115.31 115.27 3kcv h LEU 173 Ca 0.00 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 3kcv h LEU 173 Cb 0.32 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3kcv h LEU 173 CO 0.00 -0.23 -0.38 0.24 0.09 0.00 0.00 178.44 178.16 3kcv h MET 174 N -0.33 0.61 0.44 1.13 2.86 -1.27 -1.53 114.93 116.84 3kcv h MET 174 Ca 0.00 -0.30 -0.02 0.00 -2.06 0.00 0.00 59.70 57.32 3kcv h MET 174 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 3kcv h MET 174 CO -0.04 0.89 -0.21 0.28 1.06 0.00 0.00 176.91 178.90 3kcv h VAL 175 N 0.51 0.55 -0.40 -2.22 2.07 -1.31 0.17 116.25 115.63 3kcv h VAL 175 Ca 0.05 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.32 3kcv h VAL 175 Cb 0.89 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 3kcv h VAL 175 CO 0.08 0.05 0.20 0.00 0.02 0.00 0.00 177.57 177.92 3kcv h LEU 177 N 0.41 0.64 0.25 0.00 3.38 -1.27 0.16 115.31 118.90 3kcv h LEU 177 Ca 0.17 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3kcv h LEU 177 Cb 0.06 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3kcv h LEU 177 CO -0.11 0.50 -0.12 0.00 0.09 0.00 0.00 178.44 178.80 3kcv h ALA 178 N 1.61 -0.34 -0.11 1.53 0.00 -0.15 -0.45 119.26 121.35 3kcv h ALA 178 Ca 0.19 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3kcv h ALA 178 Cb -0.02 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3kcv h ALA 178 CO -0.04 -0.53 -0.11 0.28 0.00 0.00 0.00 179.25 178.85 3kcv h VAL 179 N -0.66 0.70 0.03 0.00 2.07 -1.08 -0.95 116.25 116.36 3kcv h VAL 179 Ca -0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.50 3kcv h VAL 179 Cb 0.46 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 3kcv h VAL 179 CO 0.06 0.00 -0.42 -0.25 0.02 0.00 0.00 177.57 176.98 3kcv h TRP 180 N -0.13 -1.22 -1.03 1.57 -0.00 -0.60 0.42 115.95 114.95 3kcv h TRP 180 Ca 0.08 0.04 0.29 0.00 -0.00 0.00 0.00 58.89 59.29 3kcv h TRP 180 Cb 0.25 0.53 -0.05 0.00 -0.00 0.00 0.00 29.16 29.88 3kcv h TRP 180 CO -0.22 -0.45 0.73 0.52 -0.00 0.00 0.00 178.44 179.01 3kcv h MET 181 N -0.55 0.09 0.00 2.65 2.86 -0.91 0.89 114.93 119.96 3kcv h MET 181 Ca 0.00 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3kcv h MET 181 Cb 0.57 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.21 3kcv h MET 181 CO -0.26 0.06 -0.02 1.03 1.06 0.00 0.00 176.91 178.78 3kcv h SER 182 N 0.09 0.00 0.87 1.22 0.87 0.52 -2.94 113.55 114.17 3kcv h SER 182 Ca 0.51 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.98 3kcv h SER 182 Cb 1.86 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.80 3kcv h SER 182 CO -0.06 0.02 -0.41 0.22 -0.53 0.00 0.00 176.83 176.06 3kcv h TYR 183 N 0.00 0.00 0.00 2.24 5.03 -0.70 -1.47 116.97 122.07 3kcv h TYR 183 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 3kcv h TYR 183 Cb 0.05 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.33 3kcv h TYR 183 CO 0.00 0.41 0.00 0.77 -1.32 0.00 0.00 178.16 178.02 3kcv h SER 184 N 0.00 0.00 -3.45 -2.11 0.02 -1.66 -3.44 113.55 102.91 3kcv h SER 184 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.41 3kcv h SER 184 Cb 0.96 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 3kcv h SER 184 CO 0.05 0.00 0.36 -0.83 -1.14 0.00 0.00 176.83 175.27 3kcv s GLY 185 N -3.87 2.93 -0.26 -3.77 0.00 -0.56 -4.97 107.32 96.82 3kcv s GLY 185 Ca 0.04 0.54 -0.14 0.00 0.00 0.00 0.00 44.72 45.16 3kcv s GLY 185 CO 0.51 1.61 -0.25 0.54 0.00 0.00 0.00 173.10 175.51 3kcv n ARG 186 N 3.59 0.59 -1.76 2.90 5.12 -1.26 -4.71 116.66 121.14 3kcv n ARG 186 Ca 0.05 0.31 -0.29 0.00 -1.93 0.00 0.00 57.85 55.98 3kcv n ARG 186 Cb 0.51 -1.54 0.08 0.00 -1.16 0.00 0.00 32.46 30.35 3kcv n ARG 186 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3kcv s SER 187 N -7.33 4.62 0.11 0.55 1.04 -1.26 -4.93 113.70 106.51 3kcv s SER 187 Ca -0.37 1.03 -0.26 0.00 0.48 0.00 0.00 55.95 56.83 3kcv s SER 187 Cb 0.13 -1.68 -0.07 0.00 0.10 0.00 0.00 66.02 64.50 3kcv s SER 187 CO 0.52 -1.86 1.65 -0.07 0.98 0.00 0.00 173.24 174.46 3kcv h LEU 188 N -1.02 -0.63 -0.76 2.42 4.07 -2.00 -2.26 115.31 115.15 3kcv h LEU 188 Ca -0.47 0.08 0.17 0.00 0.08 0.00 0.00 57.88 57.74 3kcv h LEU 188 Cb 1.29 0.25 -0.11 0.00 1.08 0.00 0.00 40.66 43.17 3kcv h LEU 188 CO 0.63 -0.30 0.20 0.24 -1.08 0.00 0.00 178.44 178.14 3kcv h MET 189 N -0.38 0.28 -0.56 1.13 2.86 -1.99 -1.18 114.93 115.09 3kcv h MET 189 Ca 0.04 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.68 3kcv h MET 189 Cb 0.43 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 3kcv h MET 189 CO -0.16 0.19 0.35 -0.44 1.06 0.00 0.00 176.91 177.91 3kcv h ASP 190 N 0.29 0.59 0.39 1.22 5.19 -1.83 -1.62 116.42 120.64 3kcv h ASP 190 Ca 0.43 -0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.56 3kcv h ASP 190 Cb 0.74 -0.13 0.01 0.00 0.18 0.00 0.00 39.33 40.14 3kcv h ASP 190 CO -0.51 0.42 -1.19 0.11 -3.12 0.00 0.00 179.24 174.94 3kcv h LYS 191 N 0.70 0.43 0.13 3.56 1.57 -0.97 -3.32 116.57 118.68 3kcv h LYS 191 Ca 0.22 -0.60 -0.01 0.00 -1.87 0.00 0.00 60.65 58.39 3kcv h LYS 191 Cb -0.02 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3kcv h LYS 191 CO -0.08 1.25 -0.06 0.00 -0.57 0.00 0.00 179.45 179.99 3kcv h ALA 192 N 0.50 -0.20 0.00 3.86 0.00 -1.19 -3.27 119.26 118.96 3kcv h ALA 192 Ca -0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3kcv h ALA 192 Cb 1.88 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.74 3kcv h ALA 192 CO 0.21 -0.19 0.00 1.19 0.00 0.00 0.00 179.25 180.46 3kcv n PHE 193 N -4.41 0.00 -0.03 0.00 0.99 -0.62 -1.88 117.46 111.52 3kcv n PHE 193 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.40 3kcv n PHE 193 Cb 0.07 0.00 -0.04 0.00 -1.00 0.00 0.00 39.48 38.51 3kcv n PHE 193 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.76 178.27 3kcv n ILE 194 N -0.62 0.35 0.40 4.37 0.13 -1.25 -4.59 119.36 118.15 3kcv n ILE 194 Ca 0.00 -0.20 0.12 0.00 -1.10 0.00 0.00 62.75 61.58 3kcv n ILE 194 Cb 0.00 -0.83 0.25 0.00 -0.84 0.00 0.00 39.64 38.21 3kcv n ILE 194 CO 0.00 0.00 0.00 0.24 2.80 0.00 0.00 176.55 179.59 3kcv h MET 195 N 0.00 0.00 -0.34 9.51 2.86 -1.42 -3.38 114.93 122.16 3kcv h MET 195 Ca -0.14 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3kcv h MET 195 Cb 1.29 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.91 3kcv h MET 195 CO 0.00 0.00 0.09 -0.24 1.06 0.00 0.00 176.91 177.82 3kcv h VAL 196 N 0.00 0.87 0.04 -2.22 3.04 -1.77 -1.76 116.25 114.45 3kcv h VAL 196 Ca 0.00 -0.08 -0.00 0.00 -1.01 0.00 0.00 66.70 65.61 3kcv h VAL 196 Cb 0.87 0.63 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 3kcv h VAL 196 CO 0.00 0.04 -0.02 -0.07 -1.01 0.00 0.00 177.57 176.51 3kcv h LEU 197 N 0.22 -0.04 -1.11 3.16 4.07 -1.88 0.39 115.31 120.13 3kcv h LEU 197 Ca 0.16 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 3kcv h LEU 197 Cb 0.15 0.01 -0.04 0.00 1.08 0.00 0.00 40.66 41.87 3kcv h LEU 197 CO -0.19 0.02 0.44 -0.65 -1.08 0.00 0.00 178.44 176.98 3kcv h PRO 198 N -0.10 1.06 0.02 1.13 0.11 -1.76 -0.99 132.00 131.47 3kcv h PRO 198 Ca -0.01 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 3kcv h PRO 198 Cb 0.09 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 30.98 3kcv h PRO 198 CO 0.01 0.76 -0.01 0.28 -0.21 0.00 0.00 178.00 178.83 3kcv h VAL 199 N 1.07 1.33 -0.72 3.15 2.07 -1.21 -3.07 116.25 118.86 3kcv h VAL 199 Ca 0.27 -1.10 0.11 0.00 0.82 0.00 0.00 66.70 66.80 3kcv h VAL 199 Cb -0.01 2.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 3kcv h VAL 199 CO -0.05 0.28 0.47 0.00 0.02 0.00 0.00 177.57 178.30 3kcv h ALA 200 N 0.45 1.93 -0.14 1.67 0.00 -0.76 -1.63 119.26 120.79 3kcv h ALA 200 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3kcv h ALA 200 Cb 0.48 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kcv h ALA 200 CO 0.00 -0.10 -0.08 1.98 0.00 0.00 0.00 179.25 181.06 3kcv h MET 201 N 0.54 0.30 0.00 0.00 -1.53 -1.17 0.21 114.93 113.28 3kcv h MET 201 Ca 0.34 -0.13 0.00 0.00 -3.44 0.00 0.00 59.70 56.46 3kcv h MET 201 Cb 0.58 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.62 3kcv h MET 201 CO -0.11 0.64 0.00 0.27 0.14 0.00 0.00 176.91 177.84 3kcv h PHE 202 N -0.05 0.00 0.05 1.39 -5.15 -1.41 -2.38 116.94 109.38 3kcv h PHE 202 Ca 0.03 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.80 3kcv h PHE 202 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.73 3kcv h PHE 202 CO 0.07 0.00 -0.02 0.28 -2.00 0.00 0.00 178.31 176.64 3kcv h VAL 203 N 0.00 0.00 0.00 0.88 2.07 -1.23 -0.80 116.25 117.17 3kcv h VAL 203 Ca 0.00 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3kcv h VAL 203 Cb 0.80 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3kcv h VAL 203 CO 0.00 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.70 3kcv n ALA 204 N -2.38 0.80 1.04 1.67 0.00 0.72 0.11 120.51 122.47 3kcv n ALA 204 Ca -0.01 0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.58 3kcv n ALA 204 Cb 0.02 -0.86 0.04 0.00 0.00 0.00 0.00 19.45 18.66 3kcv n ALA 204 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3kcv n SER 205 N -1.58 1.52 -1.52 0.00 7.64 -0.90 -4.79 113.62 114.00 3kcv n SER 205 Ca -0.00 -1.21 -0.15 0.00 1.01 0.00 0.00 58.87 58.52 3kcv n SER 205 Cb 0.12 0.54 -0.02 0.00 -1.01 0.00 0.00 64.21 63.84 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 1.43 0.27 3.72 0.23 0.00 0.30 -5.00 105.19 106.14 3kcv n GLY 206 Ca 0.08 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.68 2.10 -0.19 1.61 0.08 -0.31 -4.97 117.98 113.62 3kcv s PHE 207 Ca 0.00 1.62 -0.07 0.00 0.12 0.00 0.00 56.93 58.60 3kcv s PHE 207 Cb 0.00 -3.38 -0.04 0.00 -0.57 0.00 0.00 43.02 39.03 3kcv s PHE 207 CO 0.00 -2.45 0.06 -1.21 -0.10 0.00 0.00 175.22 171.53 3kcv s GLU 208 N -4.13 3.96 -0.23 0.44 0.41 -0.78 -4.82 118.70 113.55 3kcv s GLU 208 Ca 0.71 -0.35 0.00 0.00 -0.41 0.00 0.00 54.97 54.92 3kcv s GLU 208 Cb -0.26 -3.22 0.06 0.00 -1.78 0.00 0.00 34.13 28.92 3kcv s GLU 208 CO 0.48 0.24 -0.05 -1.58 -0.49 0.00 0.00 175.26 173.86 3kcv s HIS 209 N 0.45 2.29 0.32 1.61 5.65 -1.26 -3.77 115.29 120.57 3kcv s HIS 209 Ca 0.03 -1.66 0.10 0.00 0.25 0.00 0.00 55.06 53.78 3kcv s HIS 209 Cb -0.13 -1.54 0.97 0.00 -1.18 0.00 0.00 32.58 30.70 3kcv s HIS 209 CO 0.01 -0.76 1.47 -1.13 -0.65 0.00 0.00 174.74 173.68 3kcv n SER 210 N 4.70 0.09 0.14 9.88 3.41 -1.26 -1.38 113.62 129.20 3kcv n SER 210 Ca -0.12 1.57 -0.24 0.00 -0.26 0.00 0.00 58.87 59.81 3kcv n SER 210 Cb 0.45 -0.66 -0.15 0.00 -0.26 0.00 0.00 64.21 63.58 3kcv n SER 210 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3kcv h ILE 211 N 0.00 1.29 -0.15 -1.33 1.08 -1.98 -2.01 117.51 114.41 3kcv h ILE 211 Ca 0.67 -2.66 0.00 0.00 -0.39 0.00 0.00 64.86 62.49 3kcv h ILE 211 Cb 1.60 3.00 -0.01 0.00 -3.07 0.00 0.00 36.82 38.34 3kcv h ILE 211 CO -0.80 0.80 0.10 0.00 -0.69 0.00 0.00 178.15 177.55 3kcv h ALA 212 N 0.17 0.19 0.00 1.87 0.00 -1.59 -1.65 119.26 118.25 3kcv h ALA 212 Ca -0.25 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3kcv h ALA 212 Cb 2.12 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.85 3kcv h ALA 212 CO 0.27 -0.32 -0.00 -0.91 0.00 0.00 0.00 179.25 178.29 3kcv h ASN 213 N 0.20 0.00 0.51 0.00 2.35 -1.25 -1.51 115.58 115.87 3kcv h ASN 213 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3kcv h ASN 213 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3kcv h ASN 213 CO -0.01 0.00 0.00 0.24 -1.65 0.00 0.00 177.43 176.01 3kcv h MET 214 N 0.00 0.00 0.00 0.81 2.86 -0.51 -1.74 114.93 116.35 3kcv h MET 214 Ca -0.00 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.36 3kcv h MET 214 Cb 0.02 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 3kcv h MET 214 CO 0.00 0.00 -1.88 0.34 1.06 0.00 0.00 176.91 176.43 3kcv n PHE 215 N -2.49 0.00 0.05 -0.22 7.35 -0.66 -4.33 117.46 117.17 3kcv n PHE 215 Ca 0.00 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.57 3kcv n PHE 215 Cb 0.17 -0.69 -0.06 0.00 0.35 0.00 0.00 39.48 39.25 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 -0.79 -0.08 -0.04 -4.13 4.05 -1.24 -0.26 114.93 112.43 3kcv h MET 216 Ca -0.42 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 58.97 3kcv h MET 216 Cb 1.32 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.14 3kcv h MET 216 CO -0.26 -0.05 -0.11 0.82 0.23 0.00 0.00 176.91 177.54 3kcv h ILE 217 N -0.08 1.45 -0.37 1.77 2.04 -1.58 -1.32 117.51 119.41 3kcv h ILE 217 Ca 0.01 -1.50 0.11 0.00 1.00 0.00 0.00 64.86 64.48 3kcv h ILE 217 Cb 0.10 2.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 3kcv h ILE 217 CO -0.03 0.41 0.28 -0.65 0.00 0.00 0.00 178.15 178.16 3kcv h PRO 218 N -0.39 0.00 -0.31 2.37 0.11 -1.69 -0.45 132.00 131.64 3kcv h PRO 218 Ca -0.00 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.93 3kcv h PRO 218 Cb 0.72 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 3kcv h PRO 218 CO 0.02 0.00 -0.49 1.98 -0.21 0.00 0.00 178.00 179.30 3kcv h MET 219 N 0.00 0.85 -0.35 1.05 -1.53 -0.70 -0.67 114.93 113.57 3kcv h MET 219 Ca 0.17 -0.51 -0.11 0.00 -3.44 0.00 0.00 59.70 55.82 3kcv h MET 219 Cb 0.73 0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.82 3kcv h MET 219 CO -0.00 1.14 -0.24 0.78 0.14 0.00 0.00 176.91 178.73 3kcv h GLY 220 N 0.78 0.75 0.00 1.39 0.00 -0.47 -2.14 103.07 103.38 3kcv h GLY 220 Ca 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.72 3kcv h GLY 220 CO 0.11 0.58 0.00 1.39 0.00 0.00 0.00 176.54 178.63 3kcv n ILE 221 N -4.11 0.00 -0.28 2.60 5.41 -0.25 -0.86 119.36 121.87 3kcv n ILE 221 Ca -0.00 1.32 0.02 0.00 1.00 0.00 0.00 62.75 65.08 3kcv n ILE 221 Cb 0.43 -2.26 0.06 0.00 -0.71 0.00 0.00 39.64 37.16 3kcv n ILE 221 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3kcv n VAL 222 N -1.53 -0.35 -0.02 1.39 0.31 -0.28 -0.40 118.33 117.44 3kcv n VAL 222 Ca 0.00 1.71 -0.12 0.00 -0.01 0.00 0.00 64.34 65.93 3kcv n VAL 222 Cb 0.00 -2.31 -0.07 0.00 -0.91 0.00 0.00 33.84 30.55 3kcv n VAL 222 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3kcv h ILE 223 N 0.00 1.18 -0.62 2.52 2.04 -1.40 -0.12 117.51 121.11 3kcv h ILE 223 Ca 0.30 -0.55 0.06 0.00 1.00 0.00 0.00 64.86 65.67 3kcv h ILE 223 Cb 0.48 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 3kcv h ILE 223 CO -0.75 0.16 0.32 -0.09 0.00 0.00 0.00 178.15 177.80 3kcv h ARG 224 N -0.06 0.59 -0.38 2.37 2.43 0.10 0.35 114.38 119.77 3kcv h ARG 224 Ca 0.03 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3kcv h ARG 224 Cb 0.23 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3kcv h ARG 224 CO -0.00 0.39 0.00 -0.25 -1.51 0.00 0.00 179.97 178.60 3kcv n ASP 225 N -4.84 2.01 0.00 -3.80 9.92 0.46 -4.25 116.55 116.05 3kcv n ASP 225 Ca 0.07 -2.02 0.00 0.00 -0.53 0.00 0.00 54.79 52.32 3kcv n ASP 225 Cb 0.17 -0.26 0.00 0.00 -0.64 0.00 0.00 41.12 40.40 3kcv n ASP 225 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3kcv n PHE 226 N 0.56 0.00 -1.97 1.24 3.72 -0.08 -4.98 117.46 115.95 3kcv n PHE 226 Ca 0.12 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.11 3kcv n PHE 226 Cb 0.32 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.84 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 0.00 3.66 0.94 4.37 0.00 0.10 -4.99 121.76 125.83 3kcv s ALA 227 Ca 0.00 1.37 -0.11 0.00 0.00 0.00 0.00 51.96 53.22 3kcv s ALA 227 Cb 0.00 -3.58 0.16 0.00 0.00 0.00 0.00 23.12 19.70 3kcv s ALA 227 CO 0.00 -0.78 1.09 -1.54 0.00 0.00 0.00 175.76 174.53 3kcv s SER 228 N 0.45 2.96 0.45 0.00 1.04 -1.26 -4.88 113.70 112.46 3kcv s SER 228 Ca 0.61 1.71 0.14 0.00 0.48 0.00 0.00 55.95 58.88 3kcv s SER 228 Cb -0.43 -2.34 1.00 0.00 0.10 0.00 0.00 66.02 64.36 3kcv s SER 228 CO 0.43 -3.00 2.00 -0.65 0.98 0.00 0.00 173.24 173.00 3kcv h PRO 229 N -1.80 0.04 -0.68 4.02 0.11 -2.00 -2.16 132.00 129.54 3kcv h PRO 229 Ca -0.50 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.62 3kcv h PRO 229 Cb 1.28 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 3kcv h PRO 229 CO 0.50 0.19 0.45 0.93 -0.21 0.00 0.00 178.00 179.86 3kcv h GLU 230 N 0.04 0.86 0.00 1.05 3.07 -1.98 -0.93 114.58 116.68 3kcv h GLU 230 Ca 0.01 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3kcv h GLU 230 Cb 0.28 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 3kcv h GLU 230 CO 0.02 0.57 0.00 0.34 -1.40 0.00 0.00 179.01 178.54 3kcv n PHE 231 N -4.44 0.00 -0.46 4.33 7.35 -0.82 -0.72 117.46 122.70 3kcv n PHE 231 Ca 0.07 0.00 0.42 0.00 -0.76 0.00 0.00 57.45 57.18 3kcv n PHE 231 Cb 0.07 -0.44 0.76 0.00 0.35 0.00 0.00 39.48 40.22 3kcv n PHE 231 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 3kcv h TRP 232 N 0.00 0.00 0.01 -5.13 4.06 -1.41 0.25 115.95 113.72 3kcv h TRP 232 Ca 0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 3kcv h TRP 232 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3kcv h TRP 232 CO 0.19 0.00 -0.13 1.15 -3.56 0.00 0.00 178.44 176.09 3kcv h THR 233 N 0.00 1.72 -0.04 1.49 2.02 -1.07 -0.95 112.91 116.08 3kcv h THR 233 Ca 0.70 -2.35 0.03 0.00 0.77 0.00 0.00 66.41 65.56 3kcv h THR 233 Cb 2.90 3.31 -0.04 0.00 -1.74 0.00 0.00 68.15 72.57 3kcv h THR 233 CO -0.01 0.60 -0.21 0.00 0.37 0.00 0.00 175.52 176.26 3kcv h ALA 234 N -0.03 -0.24 -0.00 6.16 0.00 0.17 -2.56 119.26 122.76 3kcv h ALA 234 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kcv h ALA 234 Cb 1.06 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3kcv h ALA 234 CO -0.01 -0.70 -0.01 1.33 0.00 0.00 0.00 179.25 179.86 3kcv n VAL 235 N -5.34 0.00 -3.11 0.00 0.24 -0.44 -4.98 118.33 104.69 3kcv n VAL 235 Ca -0.04 -0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.05 3kcv n VAL 235 Cb 0.26 -0.47 0.02 0.00 -1.47 0.00 0.00 33.84 32.18 3kcv n VAL 235 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kcv n GLY 236 N 1.31 -0.78 3.86 7.63 0.00 -0.54 -5.04 105.19 111.64 3kcv n GLY 236 Ca 0.13 1.19 0.04 0.00 0.00 0.00 0.00 46.02 47.38 3kcv n GLY 236 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kcv s SER 237 N -2.11 -0.00 0.06 1.61 0.15 -0.47 -5.03 113.70 107.91 3kcv s SER 237 Ca 0.29 -0.06 -0.10 0.00 0.70 0.00 0.00 55.95 56.78 3kcv s SER 237 Cb -0.06 0.05 0.01 0.00 -1.71 0.00 0.00 66.02 64.31 3kcv s SER 237 CO 0.80 -0.10 0.22 0.00 1.20 0.00 0.00 173.24 175.36 3kcv s ALA 238 N -2.05 -0.38 0.56 5.45 0.00 -1.26 -4.62 121.76 119.46 3kcv s ALA 238 Ca 0.26 -0.35 0.34 0.00 0.00 0.00 0.00 51.96 52.20 3kcv s ALA 238 Cb 0.02 0.37 1.47 0.00 0.00 0.00 0.00 23.12 24.98 3kcv s ALA 238 CO -0.04 -0.43 1.76 -1.35 0.00 0.00 0.00 175.76 175.71 3kcv h PRO 239 N 3.14 0.00 -0.65 0.00 0.11 -1.96 0.23 132.00 132.86 3kcv h PRO 239 Ca -0.33 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.92 3kcv h PRO 239 Cb 1.20 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.19 3kcv h PRO 239 CO 0.51 0.00 -0.07 0.93 -0.21 0.00 0.00 178.00 179.16 3kcv h GLU 240 N 0.00 0.06 0.00 1.05 3.07 -1.98 -0.79 114.58 115.99 3kcv h GLU 240 Ca 0.48 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 3kcv h GLU 240 Cb 2.11 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 30.01 3kcv h GLU 240 CO -0.01 0.04 0.06 0.09 -1.40 0.00 0.00 179.01 177.80 3kcv n ASN 241 N -5.36 0.48 -2.53 1.42 4.13 0.07 -1.44 115.26 112.03 3kcv n ASN 241 Ca 0.09 0.70 -0.12 0.00 1.68 0.00 0.00 54.58 56.94 3kcv n ASN 241 Cb 0.37 -0.74 0.03 0.00 -1.54 0.00 0.00 39.78 37.90 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 -2.16 1.93 0.00 3.10 3.72 -0.31 -4.86 117.46 118.87 3kcv n PHE 242 Ca -0.01 -2.38 0.00 0.00 -0.05 0.00 0.00 57.45 55.00 3kcv n PHE 242 Cb 0.09 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 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 -0.53 0.00 -0.05 4.37 3.41 -0.52 -1.96 113.62 118.34 3kcv n SER 243 Ca 0.22 0.42 -0.09 0.00 -0.26 0.00 0.00 58.87 59.15 3kcv n SER 243 Cb 0.84 -0.42 -0.15 0.00 -0.26 0.00 0.00 64.21 64.22 3kcv n SER 243 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kcv n HIS 244 N -1.42 0.63 -1.95 7.33 -0.00 -1.26 -4.77 115.22 113.78 3kcv n HIS 244 Ca -0.00 0.23 -0.26 0.00 -0.00 0.00 0.00 57.72 57.68 3kcv n HIS 244 Cb 0.08 -1.12 -0.05 0.00 -0.00 0.00 0.00 29.99 28.91 3kcv n HIS 244 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3kcv s LEU 245 N -5.88 3.14 0.07 2.39 1.43 -0.83 -4.60 118.68 114.40 3kcv s LEU 245 Ca -0.07 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.55 3kcv s LEU 245 Cb 0.07 -2.55 0.01 0.00 0.03 0.00 0.00 46.19 43.75 3kcv s LEU 245 CO 0.82 -2.90 0.25 0.42 0.23 0.00 0.00 176.35 175.17 3kcv s THR 246 N 10.86 0.11 0.28 5.49 -4.23 -1.26 -4.71 115.64 122.17 3kcv s THR 246 Ca 0.75 -0.91 -0.01 0.00 -1.18 0.00 0.00 61.69 60.33 3kcv s THR 246 Cb -0.09 -1.13 0.31 0.00 1.34 0.00 0.00 72.50 72.93 3kcv s THR 246 CO 0.04 -0.50 1.63 0.58 -0.54 0.00 0.00 174.62 175.83 3kcv h VAL 247 N 2.94 0.29 -0.07 2.29 2.07 -1.97 -0.94 116.25 120.86 3kcv h VAL 247 Ca -0.33 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3kcv h VAL 247 Cb 1.21 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3kcv h VAL 247 CO 0.51 0.03 0.04 0.24 0.02 0.00 0.00 177.57 178.41 3kcv h MET 248 N 0.15 0.09 -0.71 1.57 2.86 -1.97 -1.43 114.93 115.50 3kcv h MET 248 Ca 0.51 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 58.13 3kcv h MET 248 Cb 0.99 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.60 3kcv h MET 248 CO -0.69 0.06 0.37 -0.91 1.06 0.00 0.00 176.91 176.80 3kcv h ASN 249 N 0.09 0.89 0.07 1.22 2.35 -1.49 -0.91 115.58 117.81 3kcv h ASN 249 Ca 0.03 -0.11 0.02 0.00 -0.55 0.00 0.00 56.30 55.69 3kcv h ASN 249 Cb -0.01 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.09 3kcv h ASN 249 CO -0.01 0.74 -0.33 0.15 -1.65 0.00 0.00 177.43 176.33 3kcv h PHE 250 N 0.97 -0.92 0.68 1.19 3.57 -0.76 0.16 116.94 121.84 3kcv h PHE 250 Ca 0.25 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 3kcv h PHE 250 Cb 0.06 0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.20 3kcv h PHE 250 CO -0.00 -0.44 -0.38 0.82 -2.23 0.00 0.00 178.31 176.09 3kcv h ILE 251 N -0.53 0.23 0.00 1.41 2.04 -1.17 0.12 117.51 119.61 3kcv h ILE 251 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 3kcv h ILE 251 Cb 0.58 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3kcv h ILE 251 CO -0.23 0.00 -0.01 0.35 0.00 0.00 0.00 178.15 178.26 3kcv n THR 252 N -5.53 0.18 -0.34 -0.27 -2.24 -0.36 -1.31 114.28 104.41 3kcv n THR 252 Ca -0.14 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3kcv n THR 252 Cb 0.41 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 3kcv n THR 252 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kcv n ASP 253 N -1.73 0.87 0.06 3.42 10.43 0.55 -4.76 116.55 125.39 3kcv n ASP 253 Ca 0.07 -1.21 0.00 0.00 2.57 0.00 0.00 54.79 56.21 3kcv n ASP 253 Cb 0.37 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.33 3kcv n ASP 253 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 3kcv n ASN 254 N -0.11 -0.48 -0.13 -2.24 2.85 -0.90 -4.20 115.26 110.06 3kcv n ASN 254 Ca 0.00 0.22 -0.05 0.00 -0.11 0.00 0.00 54.58 54.65 3kcv n ASN 254 Cb 0.17 0.59 0.02 0.00 1.24 0.00 0.00 39.78 41.80 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 -0.62 0.81 1.20 5.85 -0.96 0.96 115.31 122.55 3kcv h LEU 255 Ca 0.00 0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 3kcv h LEU 255 Cb 0.00 0.35 0.01 0.00 0.37 0.00 0.00 40.66 41.39 3kcv h LEU 255 CO 0.00 -0.21 -0.39 0.40 -0.34 0.00 0.00 178.44 177.90 3kcv h ILE 256 N -0.09 0.03 -0.70 4.05 2.04 -1.44 -0.46 117.51 120.95 3kcv h ILE 256 Ca 0.21 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.84 3kcv h ILE 256 Cb 0.41 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 3kcv h ILE 256 CO -0.49 0.00 0.27 -0.65 0.00 0.00 0.00 178.15 177.28 3kcv h PRO 257 N -1.27 1.03 -0.24 2.37 0.11 -1.81 -1.85 132.00 130.34 3kcv h PRO 257 Ca -0.11 -0.18 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 3kcv h PRO 257 Cb 0.84 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 3kcv h PRO 257 CO 0.18 0.85 0.02 0.28 -0.21 0.00 0.00 178.00 179.12 3kcv h VAL 258 N 1.01 1.24 -0.37 3.15 2.07 -0.86 -1.16 116.25 121.33 3kcv h VAL 258 Ca 0.23 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 3kcv h VAL 258 Cb 0.21 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3kcv h VAL 258 CO -0.02 0.26 0.23 0.74 0.02 0.00 0.00 177.57 178.80 3kcv h THR 259 N 0.20 1.12 0.11 2.57 2.02 -0.92 0.10 112.91 118.12 3kcv h THR 259 Ca 0.07 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3kcv h THR 259 Cb 0.36 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 3kcv h THR 259 CO 0.01 0.12 -0.30 0.40 0.37 0.00 0.00 175.52 176.12 3kcv h ILE 260 N 0.49 0.00 -1.06 3.11 2.04 -1.28 -0.92 117.51 119.89 3kcv h ILE 260 Ca 0.13 0.00 0.41 0.00 1.00 0.00 0.00 64.86 66.40 3kcv h ILE 260 Cb -0.00 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 35.91 3kcv h ILE 260 CO -0.03 0.00 0.60 1.23 0.00 0.00 0.00 178.15 179.96 3kcv h GLY 261 N -0.46 2.07 0.95 5.37 0.00 -0.96 0.54 103.07 110.58 3kcv h GLY 261 Ca -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 3kcv h GLY 261 CO -0.14 -0.68 0.18 3.43 0.00 0.00 0.00 176.54 179.33 3kcv h ASN 262 N 0.07 0.51 0.10 0.19 -0.26 0.43 0.78 115.58 117.40 3kcv h ASN 262 Ca 0.83 -0.14 -0.08 0.00 -0.56 0.00 0.00 56.30 56.35 3kcv h ASN 262 Cb 2.22 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 39.33 3kcv h ASN 262 CO -0.68 0.50 -0.25 0.40 -1.06 0.00 0.00 177.43 176.34 3kcv h ILE 263 N 0.48 1.24 -0.31 2.81 2.04 0.13 -1.69 117.51 122.21 3kcv h ILE 263 Ca 0.13 -1.14 -0.07 0.00 1.00 0.00 0.00 64.86 64.78 3kcv h ILE 263 Cb 0.14 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3kcv h ILE 263 CO -0.02 0.35 -0.09 0.40 0.00 0.00 0.00 178.15 178.79 3kcv h ILE 264 N 0.24 1.28 -0.71 -0.67 2.04 -0.70 0.12 117.51 119.11 3kcv h ILE 264 Ca 0.04 -1.15 0.07 0.00 1.00 0.00 0.00 64.86 64.82 3kcv h ILE 264 Cb 0.59 1.40 -0.06 0.00 -0.74 0.00 0.00 36.82 38.00 3kcv h ILE 264 CO 0.04 0.37 0.39 1.23 0.00 0.00 0.00 178.15 180.18 3kcv h GLY 265 N 0.37 1.06 0.35 5.37 0.00 -0.45 -0.15 103.07 109.62 3kcv h GLY 265 Ca 0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 3kcv h GLY 265 CO 0.03 0.13 -0.03 -1.33 0.00 0.00 0.00 176.54 175.34 3kcv h GLY 266 N 0.69 -0.08 0.75 4.60 0.00 -1.25 -2.92 103.07 104.85 3kcv h GLY 266 Ca 0.33 0.03 0.17 0.00 0.00 0.00 0.00 47.33 47.86 3kcv h GLY 266 CO -0.22 -0.03 0.46 -1.33 0.00 0.00 0.00 176.54 175.42 3kcv h GLY 267 N -0.73 0.26 0.73 4.60 0.00 -0.74 -0.07 103.07 107.12 3kcv h GLY 267 Ca -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 3kcv h GLY 267 CO 0.01 0.02 -0.12 1.41 0.00 0.00 0.00 176.54 177.87 3kcv h LEU 268 N 0.15 -0.27 -0.60 3.11 3.38 -1.01 0.87 115.31 120.93 3kcv h LEU 268 Ca 0.32 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.13 3kcv h LEU 268 Cb 1.05 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 3kcv h LEU 268 CO -0.05 0.03 0.39 -0.07 0.09 0.00 0.00 178.44 178.84 3kcv h LEU 269 N -0.60 0.67 -0.65 1.67 3.38 -1.24 -1.05 115.31 117.49 3kcv h LEU 269 Ca -0.03 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.00 3kcv h LEU 269 Cb 0.43 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 40.92 3kcv h LEU 269 CO 0.05 0.48 -0.52 0.58 0.09 0.00 0.00 178.44 179.13 3kcv h VAL 270 N 0.80 0.03 0.07 1.22 2.07 -0.98 0.20 116.25 119.66 3kcv h VAL 270 Ca 0.23 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.77 3kcv h VAL 270 Cb -0.06 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 29.68 3kcv h VAL 270 CO -0.06 0.00 -0.46 1.23 0.02 0.00 0.00 177.57 178.30 3kcv h GLY 271 N -0.22 -0.93 0.97 2.17 0.00 0.36 0.77 103.07 106.19 3kcv h GLY 271 Ca 0.15 0.56 0.06 0.00 0.00 0.00 0.00 47.33 48.09 3kcv h GLY 271 CO -0.74 -0.26 0.54 -2.00 0.00 0.00 0.00 176.54 174.08 3kcv h LEU 272 N -0.66 0.81 0.19 3.11 5.85 -1.06 -1.23 115.31 122.33 3kcv h LEU 272 Ca 0.02 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.76 3kcv h LEU 272 Cb 0.70 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 3kcv h LEU 272 CO -0.29 0.53 -0.38 0.74 -0.34 0.00 0.00 178.44 178.70 3kcv h THR 273 N 0.93 0.22 -0.38 1.05 2.02 0.55 -1.64 112.91 115.66 3kcv h THR 273 Ca 0.35 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.52 3kcv h THR 273 Cb 0.18 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 3kcv h THR 273 CO -0.12 0.00 0.18 0.22 0.37 0.00 0.00 175.52 176.17 3kcv h TYR 274 N -0.66 0.51 -0.04 3.16 3.20 0.30 -0.76 116.97 122.68 3kcv h TYR 274 Ca 0.01 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 3kcv h TYR 274 Cb 0.66 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.76 3kcv h TYR 274 CO -0.30 0.38 -0.17 -1.49 -1.64 0.00 0.00 178.16 174.94 3kcv h TRP 275 N 0.53 0.24 -0.35 -3.82 -0.00 -1.30 -0.62 115.95 110.63 3kcv h TRP 275 Ca 0.13 -0.11 0.10 0.00 -0.00 0.00 0.00 58.89 59.02 3kcv h TRP 275 Cb 0.06 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.16 29.17 3kcv h TRP 275 CO 0.00 0.81 0.37 0.28 -0.00 0.00 0.00 178.44 179.90 3kcv h VAL 276 N -0.39 0.44 0.00 1.49 2.07 -1.00 0.27 116.25 119.12 3kcv h VAL 276 Ca -0.01 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.41 3kcv h VAL 276 Cb 0.83 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3kcv h VAL 276 CO 0.04 0.00 -0.79 0.40 0.02 0.00 0.00 177.57 177.23 3kcv h ILE 277 N 0.00 0.43 0.00 4.57 2.04 -1.05 -3.36 117.51 120.15 3kcv h ILE 277 Ca 0.17 -1.53 0.00 0.00 1.00 0.00 0.00 64.86 64.49 3kcv h ILE 277 Cb 0.90 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3kcv h ILE 277 CO -0.00 0.15 0.00 0.00 0.00 0.00 0.00 178.15 178.30 3kcv n TYR 278 N -4.55 0.00 1.24 1.37 9.36 -0.25 -5.10 117.16 119.23 3kcv n TYR 278 Ca -0.18 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.17 3kcv n TYR 278 Cb 0.44 0.00 0.30 0.00 -0.63 0.00 0.00 39.34 39.45 3kcv n TYR 278 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36