#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k82 n GLU 2 N 0.00 2.38 -0.02 -0.52 1.02 -1.26 -4.88 120.64 117.35 1k82 n GLU 2 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1k82 n GLU 2 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1k82 n GLU 2 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1k82 h LEU 3 N 0.00 -0.33 -1.36 -4.62 6.46 -1.73 -0.13 115.31 113.60 1k82 h LEU 3 Ca 0.00 0.07 0.07 0.00 -0.12 0.00 0.00 57.88 57.91 1k82 h LEU 3 Cb 0.00 0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 40.06 1k82 h LEU 3 CO 0.00 -0.13 0.49 -0.65 -0.62 0.00 0.00 178.44 177.53 1k82 h PRO 4 N -0.10 0.73 -0.22 5.25 0.11 -1.88 0.59 132.00 136.49 1k82 h PRO 4 Ca 0.10 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 65.97 1k82 h PRO 4 Cb 0.24 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1k82 h PRO 4 CO -0.22 0.49 -0.62 0.93 -0.21 0.00 0.00 178.00 178.36 1k82 h GLU 5 N 0.76 0.81 -0.11 1.05 3.07 -1.75 -2.07 114.58 116.33 1k82 h GLU 5 Ca 0.33 -0.58 -0.22 0.00 -0.50 0.00 0.00 59.36 58.39 1k82 h GLU 5 Cb 0.30 0.09 0.01 0.00 -0.84 0.00 0.00 28.75 28.32 1k82 h GLU 5 CO -0.11 1.20 -0.81 0.28 -1.40 0.00 0.00 179.01 178.17 1k82 h VAL 6 N 0.56 1.30 -0.54 3.13 2.07 -0.43 -2.29 116.25 120.05 1k82 h VAL 6 Ca -0.02 -2.06 -0.08 0.00 0.82 0.00 0.00 66.70 65.36 1k82 h VAL 6 Cb 1.24 2.07 -0.02 0.00 -1.52 0.00 0.00 31.29 33.06 1k82 h VAL 6 CO 0.13 0.64 0.01 -0.08 0.02 0.00 0.00 177.57 178.30 1k82 h GLU 7 N 0.46 0.92 -0.53 1.57 4.57 -0.97 -0.68 114.58 119.92 1k82 h GLU 7 Ca -0.06 -0.26 0.03 0.00 -1.18 0.00 0.00 59.36 57.89 1k82 h GLU 7 Cb 1.43 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.89 1k82 h GLU 7 CO 0.16 0.90 0.32 1.15 -1.18 0.00 0.00 179.01 180.36 1k82 h THR 8 N 0.85 1.05 -0.68 0.32 2.02 -1.33 0.36 112.91 115.51 1k82 h THR 8 Ca 0.16 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1k82 h THR 8 Cb 0.48 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1k82 h THR 8 CO 0.02 0.11 0.34 0.28 0.37 0.00 0.00 175.52 176.64 1k82 h SER 9 N 0.63 0.88 -0.58 4.18 0.02 -1.02 -2.03 113.55 115.62 1k82 h SER 9 Ca 0.21 -0.12 0.05 0.00 -0.84 0.00 0.00 61.79 61.09 1k82 h SER 9 Cb 0.02 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.29 1k82 h SER 9 CO -0.10 0.76 0.31 -0.09 -1.14 0.00 0.00 176.83 176.57 1k82 h ARG 10 N 0.94 0.58 -0.17 3.45 2.43 -0.28 -0.60 114.38 120.73 1k82 h ARG 10 Ca 0.23 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.21 1k82 h ARG 10 Cb 0.10 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1k82 h ARG 10 CO -0.03 0.39 -0.57 0.00 -1.51 0.00 0.00 179.97 178.25 1k82 h ARG 11 N 0.60 0.53 0.02 0.20 3.08 -0.75 -1.52 114.38 116.55 1k82 h ARG 11 Ca 0.26 -0.34 -0.22 0.00 0.07 0.00 0.00 59.98 59.74 1k82 h ARG 11 Cb 0.14 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1k82 h ARG 11 CO -0.16 0.95 -0.95 0.78 -1.07 0.00 0.00 179.97 179.52 1k82 h GLY 12 N 1.09 0.35 1.48 0.04 0.00 -1.10 -3.31 103.07 101.62 1k82 h GLY 12 Ca 0.00 -0.65 -0.15 0.00 0.00 0.00 0.00 47.33 46.54 1k82 h GLY 12 CO 0.11 0.57 -1.01 0.16 0.00 0.00 0.00 176.54 176.36 1k82 h ILE 13 N 0.17 0.75 -0.19 2.60 3.07 -1.10 -3.38 117.51 119.42 1k82 h ILE 13 Ca -0.07 -2.21 0.05 0.00 1.55 0.00 0.00 64.86 64.18 1k82 h ILE 13 Cb 1.60 2.26 -0.07 0.00 -0.27 0.00 0.00 36.82 40.35 1k82 h ILE 13 CO 0.16 0.43 -0.27 -0.08 -1.05 0.00 0.00 178.15 177.33 1k82 h GLU 14 N 0.00 -0.30 0.00 0.16 4.81 -1.36 0.01 114.58 117.90 1k82 h GLU 14 Ca -0.09 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1k82 h GLU 14 Cb 1.53 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.97 1k82 h GLU 14 CO 0.06 -0.20 -0.01 -1.00 -0.73 0.00 0.00 179.01 177.13 1k82 h PRO 15 N -0.31 0.00 0.00 0.92 0.13 -1.74 -0.99 132.00 130.01 1k82 h PRO 15 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1k82 h PRO 15 Cb 0.49 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.62 1k82 h PRO 15 CO -0.37 0.01 -0.89 0.72 -0.23 0.00 0.00 178.00 177.24 1k82 n HIS 16 N -3.29 0.39 -0.07 1.56 8.25 -0.12 -4.52 115.22 117.42 1k82 n HIS 16 Ca -0.02 0.11 -0.11 0.00 -0.26 0.00 0.00 57.72 57.44 1k82 n HIS 16 Cb 0.11 -0.54 -0.06 0.00 1.12 0.00 0.00 29.99 30.63 1k82 n HIS 16 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1k82 n LEU 17 N -2.05 2.45 -4.72 2.41 4.77 -0.54 -4.74 117.00 114.59 1k82 n LEU 17 Ca 0.02 -0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 1k82 n LEU 17 Cb 0.44 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 1k82 n LEU 17 CO 0.39 0.61 1.28 -0.69 -1.33 0.00 0.00 177.39 177.65 1k82 s VAL 18 N -2.27 2.48 0.00 4.08 1.01 -0.46 -1.38 120.40 123.86 1k82 s VAL 18 Ca -0.19 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1k82 s VAL 18 Cb 0.05 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1k82 s VAL 18 CO 0.29 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1k82 n GLY 19 N 3.83 0.73 3.76 4.51 0.00 -1.12 -4.92 105.19 111.97 1k82 n GLY 19 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 1k82 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k82 s ALA 20 N -2.59 3.72 0.00 4.61 0.00 -0.48 -5.00 121.76 122.03 1k82 s ALA 20 Ca 0.00 -1.92 0.08 0.00 0.00 0.00 0.00 51.96 50.12 1k82 s ALA 20 Cb 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 1k82 s ALA 20 CO 0.00 -0.19 -0.25 0.99 0.00 0.00 0.00 175.76 176.31 1k82 s THR 21 N -2.63 2.02 -0.52 0.00 2.01 -1.26 -1.48 115.64 113.77 1k82 s THR 21 Ca 0.39 -1.18 -0.26 0.00 0.31 0.00 0.00 61.69 60.94 1k82 s THR 21 Cb 0.03 -1.70 0.03 0.00 0.01 0.00 0.00 72.50 70.88 1k82 s THR 21 CO 0.22 0.48 1.04 -0.63 -0.69 0.00 0.00 174.62 175.04 1k82 s ILE 22 N -0.67 4.28 0.16 1.82 1.01 0.32 -0.50 121.20 127.62 1k82 s ILE 22 Ca 0.10 0.74 -0.16 0.00 0.00 0.00 0.00 60.65 61.33 1k82 s ILE 22 Cb -0.10 -4.57 0.03 0.00 0.01 0.00 0.00 42.46 37.82 1k82 s ILE 22 CO 0.00 -1.08 1.81 -0.07 0.00 0.00 0.00 174.94 175.60 1k82 h LEU 23 N 11.17 0.50 -7.05 2.97 3.38 -0.24 -0.04 115.31 126.01 1k82 h LEU 23 Ca -0.25 -0.02 0.38 0.00 0.09 0.00 0.00 57.88 58.08 1k82 h LEU 23 Cb 1.07 -0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.55 1k82 h LEU 23 CO 1.11 0.38 0.96 -1.38 0.09 0.00 0.00 178.44 179.59 1k82 s HIS 24 N -6.12 -0.01 0.05 1.13 -3.43 -1.20 -2.61 115.29 103.09 1k82 s HIS 24 Ca -0.13 -0.01 0.05 0.00 -0.80 0.00 0.00 55.06 54.17 1k82 s HIS 24 Cb 0.11 0.51 -0.04 0.00 -1.43 0.00 0.00 32.58 31.74 1k82 s HIS 24 CO 0.73 -0.06 -0.08 0.00 -2.00 0.00 0.00 174.74 173.33 1k82 s ALA 25 N -2.09 2.97 -0.24 -1.38 0.00 -1.25 -1.04 121.76 118.74 1k82 s ALA 25 Ca 0.15 -1.12 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 1k82 s ALA 25 Cb 0.07 -1.02 0.01 0.00 0.00 0.00 0.00 23.12 22.18 1k82 s ALA 25 CO -0.06 0.63 -0.04 0.08 0.00 0.00 0.00 175.76 176.36 1k82 s VAL 26 N -1.08 3.23 -0.27 0.00 1.01 -0.54 -4.95 120.40 117.80 1k82 s VAL 26 Ca 0.19 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 1k82 s VAL 26 Cb -0.11 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.73 1k82 s VAL 26 CO 0.10 0.30 0.01 -0.69 0.00 0.00 0.00 175.10 174.82 1k82 s VAL 27 N 1.42 3.47 -0.03 2.92 1.01 -1.26 -0.21 120.40 127.72 1k82 s VAL 27 Ca 0.03 -0.82 0.14 0.00 0.00 0.00 0.00 61.98 61.34 1k82 s VAL 27 Cb -0.15 -2.76 -0.22 0.00 0.00 0.00 0.00 36.38 33.24 1k82 s VAL 27 CO -0.03 0.15 0.32 0.54 0.00 0.00 0.00 175.10 176.08 1k82 n ARG 28 N 4.78 0.46 -3.48 2.72 1.74 0.13 -4.80 116.66 118.21 1k82 n ARG 28 Ca -0.16 -0.13 -0.17 0.00 -0.77 0.00 0.00 57.85 56.63 1k82 n ARG 28 Cb 0.48 -1.34 -0.12 0.00 -1.02 0.00 0.00 32.46 30.46 1k82 n ARG 28 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1k82 s ASN 29 N -3.63 1.21 0.00 0.55 3.84 -1.24 -5.02 114.94 110.66 1k82 s ASN 29 Ca -0.05 -0.15 0.18 0.00 0.21 0.00 0.00 52.86 53.04 1k82 s ASN 29 Cb 0.09 0.48 0.55 0.00 -0.55 0.00 0.00 41.25 41.82 1k82 s ASN 29 CO 0.59 -0.32 1.43 0.61 -2.79 0.00 0.00 177.10 176.62 1k82 n GLY 30 N 5.33 0.80 3.39 1.21 0.00 -1.26 -4.61 105.19 110.03 1k82 n GLY 30 Ca -0.05 -0.48 -0.44 0.00 0.00 0.00 0.00 46.02 45.05 1k82 n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1k82 n ARG 31 N 0.67 3.43 0.00 1.61 0.63 -1.26 -1.31 116.66 120.43 1k82 n ARG 31 Ca 0.16 -3.91 0.00 0.00 -0.92 0.00 0.00 57.85 53.18 1k82 n ARG 31 Cb 0.38 -2.96 0.00 0.00 0.45 0.00 0.00 32.46 30.33 1k82 n ARG 31 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1k82 n LEU 32 N 5.04 0.00 -0.36 6.15 4.32 -1.26 -4.90 117.00 126.00 1k82 n LEU 32 Ca 0.35 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 56.41 1k82 n LEU 32 Cb 0.41 0.00 0.23 0.00 -1.62 0.00 0.00 43.42 42.45 1k82 n LEU 32 CO 0.63 0.00 1.24 -0.09 -1.22 0.00 0.00 177.39 177.95 1k82 h ARG 33 N 0.00 0.99 -5.33 3.23 2.43 -0.17 -3.41 114.38 112.13 1k82 h ARG 33 Ca 0.00 -0.06 -0.43 0.00 -0.81 0.00 0.00 59.98 58.68 1k82 h ARG 33 Cb 0.00 -0.22 -0.14 0.00 -0.42 0.00 0.00 29.97 29.18 1k82 h ARG 33 CO 0.00 0.66 -0.68 -1.58 -1.51 0.00 0.00 179.97 176.86 1k82 s TRP 34 N -5.96 1.70 0.41 2.20 0.51 -1.26 -5.08 118.94 111.46 1k82 s TRP 34 Ca -0.12 -0.76 -0.26 0.00 -2.12 0.00 0.00 56.10 52.84 1k82 s TRP 34 Cb 0.22 -0.94 -0.10 0.00 -0.81 0.00 0.00 33.47 31.84 1k82 s TRP 34 CO 0.81 0.16 1.32 -2.30 -0.51 0.00 0.00 176.95 176.43 1k82 n PRO 35 N -0.45 2.08 -1.79 4.98 -0.02 -1.26 -4.74 135.00 133.80 1k82 n PRO 35 Ca -0.06 0.74 -0.41 0.00 -2.02 0.00 0.00 63.50 61.74 1k82 n PRO 35 Cb 0.63 -2.44 -0.01 0.00 -0.02 0.00 0.00 33.50 31.66 1k82 n PRO 35 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1k82 s VAL 36 N -1.17 2.08 0.41 -1.45 1.01 -0.43 -4.82 120.40 116.03 1k82 s VAL 36 Ca 0.59 0.07 -0.26 0.00 0.00 0.00 0.00 61.98 62.38 1k82 s VAL 36 Cb -0.51 -3.05 -0.09 0.00 0.00 0.00 0.00 36.38 32.74 1k82 s VAL 36 CO 0.59 0.01 1.38 -0.44 0.00 0.00 0.00 175.10 176.65 1k82 s SER 37 N 0.39 6.16 0.24 3.32 0.01 -0.90 -4.89 113.70 118.03 1k82 s SER 37 Ca 0.61 2.83 -0.13 0.00 1.31 0.00 0.00 55.95 60.58 1k82 s SER 37 Cb -0.47 -2.65 0.31 0.00 0.21 0.00 0.00 66.02 63.41 1k82 s SER 37 CO 0.50 -0.97 1.59 -0.08 0.41 0.00 0.00 173.24 174.69 1k82 h GLU 38 N 2.63 -0.02 -0.18 12.44 4.22 -1.94 -0.47 114.58 131.26 1k82 h GLU 38 Ca -0.50 0.00 0.05 0.00 0.08 0.00 0.00 59.36 58.99 1k82 h GLU 38 Cb 1.25 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1k82 h GLU 38 CO 0.62 -0.01 0.17 0.93 -2.18 0.00 0.00 179.01 178.54 1k82 h GLU 39 N -0.02 0.00 -0.29 1.92 3.07 -1.97 0.48 114.58 117.78 1k82 h GLU 39 Ca 0.37 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.11 1k82 h GLU 39 Cb 0.59 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1k82 h GLU 39 CO -0.84 0.00 -0.29 0.82 -1.40 0.00 0.00 179.01 177.31 1k82 h ILE 40 N 0.00 1.30 -0.85 3.13 1.08 -1.44 -1.74 117.51 119.00 1k82 h ILE 40 Ca 0.08 -1.45 0.14 0.00 -0.39 0.00 0.00 64.86 63.24 1k82 h ILE 40 Cb 0.43 1.59 -0.09 0.00 -3.07 0.00 0.00 36.82 35.68 1k82 h ILE 40 CO -0.00 0.46 0.45 1.88 -0.69 0.00 0.00 178.15 180.25 1k82 h TYR 41 N 0.44 0.79 -0.52 1.37 0.05 0.00 -2.29 116.97 116.82 1k82 h TYR 41 Ca 0.05 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.86 1k82 h TYR 41 Cb 0.85 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.37 1k82 h TYR 41 CO 0.07 0.22 0.00 0.54 -1.05 0.00 0.00 178.16 177.94 1k82 n ARG 42 N -4.84 2.35 -1.65 4.88 1.74 -0.85 -4.65 116.66 113.64 1k82 n ARG 42 Ca 0.16 -1.92 -0.50 0.00 -0.77 0.00 0.00 57.85 54.83 1k82 n ARG 42 Cb 0.40 -1.46 -0.05 0.00 -1.02 0.00 0.00 32.46 30.32 1k82 n ARG 42 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1k82 n LEU 43 N 0.98 2.54 -3.61 0.55 4.77 -0.67 -4.96 117.00 116.61 1k82 n LEU 43 Ca 0.18 1.08 -0.10 0.00 -0.03 0.00 0.00 56.01 57.14 1k82 n LEU 43 Cb 0.48 -1.30 -0.10 0.00 -2.33 0.00 0.00 43.42 40.18 1k82 n LEU 43 CO 0.13 -0.54 -0.02 -0.55 -1.33 0.00 0.00 177.39 175.08 1k82 s SER 44 N 1.56 -0.05 -1.37 -1.43 0.15 -1.26 -3.76 113.70 107.54 1k82 s SER 44 Ca 0.85 0.79 -0.04 0.00 0.70 0.00 0.00 55.95 58.26 1k82 s SER 44 Cb -0.83 1.18 0.02 0.00 -1.71 0.00 0.00 66.02 64.69 1k82 s SER 44 CO 0.47 -0.24 0.76 0.47 1.20 0.00 0.00 173.24 175.89 1k82 n ASP 45 N 5.38 -2.07 -4.47 5.45 8.00 -0.15 -4.96 116.55 123.72 1k82 n ASP 45 Ca -0.07 -0.82 -0.40 0.00 0.71 0.00 0.00 54.79 54.21 1k82 n ASP 45 Cb 0.50 -3.97 -0.11 0.00 -0.02 0.00 0.00 41.12 37.52 1k82 n ASP 45 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1k82 s GLN 46 N -6.18 3.36 0.44 -1.24 -1.52 -0.48 -4.83 119.66 109.21 1k82 s GLN 46 Ca 0.18 -0.72 -0.23 0.00 -1.95 0.00 0.00 55.36 52.63 1k82 s GLN 46 Cb -0.09 -3.69 -0.08 0.00 -0.22 0.00 0.00 33.01 28.94 1k82 s GLN 46 CO 0.82 -0.45 1.13 -1.25 -0.25 0.00 0.00 175.29 175.29 1k82 s PRO 47 N 1.66 3.91 -0.24 2.91 0.04 -1.26 0.12 135.00 142.13 1k82 s PRO 47 Ca 0.05 1.70 -0.15 0.00 0.04 0.00 0.00 61.00 62.63 1k82 s PRO 47 Cb -0.17 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 1k82 s PRO 47 CO 0.08 -0.41 0.39 0.08 0.04 0.00 0.00 177.00 177.18 1k82 s VAL 48 N -1.57 5.18 -0.10 -0.36 1.01 -0.55 -4.34 120.40 119.67 1k82 s VAL 48 Ca 0.61 0.64 0.15 0.00 0.00 0.00 0.00 61.98 63.39 1k82 s VAL 48 Cb -0.27 -3.71 -0.18 0.00 0.00 0.00 0.00 36.38 32.22 1k82 s VAL 48 CO 0.33 0.20 0.71 0.18 0.00 0.00 0.00 175.10 176.52 1k82 n LEU 49 N 4.91 0.79 -3.52 3.92 4.77 0.24 -2.81 117.00 125.31 1k82 n LEU 49 Ca -0.08 0.36 -0.14 0.00 -0.03 0.00 0.00 56.01 56.12 1k82 n LEU 49 Cb 0.51 0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.69 1k82 n LEU 49 CO 0.39 0.25 0.56 -0.55 -1.33 0.00 0.00 177.39 176.70 1k82 s SER 50 N -5.84 -0.53 -0.26 -1.43 0.15 -1.22 -4.87 113.70 99.70 1k82 s SER 50 Ca -0.04 0.42 0.01 0.00 0.70 0.00 0.00 55.95 57.04 1k82 s SER 50 Cb 0.08 0.46 0.07 0.00 -1.71 0.00 0.00 66.02 64.93 1k82 s SER 50 CO 0.82 -0.60 -0.02 -0.69 1.20 0.00 0.00 173.24 173.96 1k82 s VAL 51 N -1.85 1.53 0.50 4.45 1.01 -1.26 -0.71 120.40 124.06 1k82 s VAL 51 Ca -0.04 -1.39 0.03 0.00 0.00 0.00 0.00 61.98 60.57 1k82 s VAL 51 Cb -0.00 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 1k82 s VAL 51 CO 0.01 -0.25 0.08 -1.10 0.00 0.00 0.00 175.10 173.84 1k82 s GLN 52 N 1.36 2.18 -0.05 2.72 -0.21 0.70 -4.96 119.66 121.40 1k82 s GLN 52 Ca -0.01 -2.26 -0.05 0.00 0.02 0.00 0.00 55.36 53.06 1k82 s GLN 52 Cb -0.19 -1.67 0.01 0.00 1.00 0.00 0.00 33.01 32.16 1k82 s GLN 52 CO -0.09 -0.35 0.13 0.50 -2.12 0.00 0.00 175.29 173.36 1k82 s ARG 53 N -3.93 0.18 -0.11 2.91 3.52 -1.26 -0.89 118.95 119.38 1k82 s ARG 53 Ca 0.17 0.13 -0.01 0.00 -0.13 0.00 0.00 55.73 55.89 1k82 s ARG 53 Cb 0.02 0.09 0.03 0.00 -1.56 0.00 0.00 34.95 33.53 1k82 s ARG 53 CO 0.09 -0.03 -0.05 0.50 -0.81 0.00 0.00 175.30 175.01 1k82 s ARG 54 N -0.06 1.25 5.51 5.12 6.06 -0.65 -4.99 118.95 131.20 1k82 s ARG 54 Ca -0.01 -0.19 0.00 0.00 -2.50 0.00 0.00 55.73 53.03 1k82 s ARG 54 Cb -0.02 -1.48 0.00 0.00 0.06 0.00 0.00 34.95 33.51 1k82 s ARG 54 CO 0.00 -0.30 0.00 0.00 -2.50 0.00 0.00 175.30 172.50 1k82 n ALA 55 N 4.99 0.00 -0.90 6.12 0.00 -1.26 -0.16 120.51 129.30 1k82 n ALA 55 Ca -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 1k82 n ALA 55 Cb 0.50 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.28 1k82 n ALA 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1k82 n LYS 56 N 14.00 4.11 -4.19 0.00 5.02 -1.26 -4.82 118.16 131.01 1k82 n LYS 56 Ca 0.00 -2.99 -0.34 0.00 -2.02 0.00 0.00 58.31 52.95 1k82 n LYS 56 Cb 0.00 -2.21 -0.12 0.00 -0.02 0.00 0.00 35.03 32.68 1k82 n LYS 56 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1k82 s TYR 57 N -2.81 3.07 0.16 2.13 2.02 0.77 -4.45 117.35 118.23 1k82 s TYR 57 Ca 0.53 -0.30 -0.19 0.00 -0.37 0.00 0.00 57.07 56.74 1k82 s TYR 57 Cb 0.42 -2.03 -0.07 0.00 -0.40 0.00 0.00 41.96 39.87 1k82 s TYR 57 CO 0.14 -0.09 0.64 -0.51 -1.57 0.00 0.00 175.55 174.16 1k82 s LEU 58 N 0.64 4.42 -0.17 -1.29 1.43 0.14 -1.63 118.68 122.23 1k82 s LEU 58 Ca -0.01 1.31 -0.00 0.00 -1.03 0.00 0.00 54.13 54.40 1k82 s LEU 58 Cb -0.14 -3.29 0.04 0.00 0.03 0.00 0.00 46.19 42.84 1k82 s LEU 58 CO 0.02 0.13 -0.06 -0.76 0.23 0.00 0.00 176.35 175.92 1k82 s LEU 59 N -1.65 1.66 -0.27 1.79 1.43 -0.07 0.67 118.68 122.24 1k82 s LEU 59 Ca 0.37 -0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 52.68 1k82 s LEU 59 Cb -0.18 -0.94 -0.05 0.00 0.03 0.00 0.00 46.19 45.06 1k82 s LEU 59 CO 0.20 -0.18 0.23 -0.76 0.23 0.00 0.00 176.35 176.07 1k82 s LEU 60 N 1.61 4.04 -0.33 1.79 1.43 0.16 -0.21 118.68 127.17 1k82 s LEU 60 Ca 0.01 0.08 -0.25 0.00 -1.03 0.00 0.00 54.13 52.94 1k82 s LEU 60 Cb -0.15 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 43.89 1k82 s LEU 60 CO -0.08 -0.06 0.86 -0.70 0.23 0.00 0.00 176.35 176.61 1k82 s GLU 61 N 1.69 3.91 0.30 1.70 2.12 0.11 -1.31 118.70 127.23 1k82 s GLU 61 Ca 0.09 0.61 0.08 0.00 0.36 0.00 0.00 54.97 56.10 1k82 s GLU 61 Cb -0.16 -3.76 -0.03 0.00 0.26 0.00 0.00 34.13 30.44 1k82 s GLU 61 CO 0.10 -0.81 0.23 -0.51 -0.54 0.00 0.00 175.26 173.73 1k82 s LEU 62 N 3.21 3.61 0.27 2.70 1.43 0.20 0.83 118.68 130.93 1k82 s LEU 62 Ca 0.35 -0.45 -0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1k82 s LEU 62 Cb -0.13 -2.18 0.58 0.00 0.03 0.00 0.00 46.19 44.49 1k82 s LEU 62 CO 0.15 -0.22 1.73 -0.65 0.23 0.00 0.00 176.35 177.58 1k82 h PRO 63 N 1.40 0.47 -0.20 1.29 0.11 -1.97 -3.07 132.00 130.02 1k82 h PRO 63 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1k82 h PRO 63 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1k82 h PRO 63 CO 0.60 0.31 0.00 0.39 -0.21 0.00 0.00 178.00 179.09 1k82 n GLU 64 N -4.98 2.63 -3.68 1.05 -0.58 -1.26 -5.06 120.64 108.75 1k82 n GLU 64 Ca 0.18 -2.39 0.00 0.00 -0.42 0.00 0.00 57.16 54.53 1k82 n GLU 64 Cb 0.51 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 1k82 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k82 n GLY 65 N -0.39 -1.34 3.15 0.62 0.00 -1.16 -4.71 105.19 101.36 1k82 n GLY 65 Ca 0.15 -1.09 -0.22 0.00 0.00 0.00 0.00 46.02 44.85 1k82 n GLY 65 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1k82 s TRP 66 N -3.00 1.37 -0.25 1.61 0.52 0.28 -0.63 118.94 118.84 1k82 s TRP 66 Ca 0.00 -0.30 -0.14 0.00 0.02 0.00 0.00 56.10 55.67 1k82 s TRP 66 Cb 0.00 -0.85 -0.04 0.00 -1.15 0.00 0.00 33.47 31.43 1k82 s TRP 66 CO 0.00 0.01 0.34 0.42 0.02 0.00 0.00 176.95 177.75 1k82 s ILE 67 N -0.59 5.21 -0.26 2.03 1.01 -0.42 -2.08 121.20 126.10 1k82 s ILE 67 Ca 0.05 0.54 -0.09 0.00 0.00 0.00 0.00 60.65 61.14 1k82 s ILE 67 Cb -0.07 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 1k82 s ILE 67 CO 0.00 0.21 0.13 -0.63 0.00 0.00 0.00 174.94 174.66 1k82 s ILE 68 N 1.72 4.92 -0.09 2.92 1.01 0.68 -0.66 121.20 131.69 1k82 s ILE 68 Ca 0.15 0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.86 1k82 s ILE 68 Cb -0.15 -3.31 -0.01 0.00 0.01 0.00 0.00 42.46 38.99 1k82 s ILE 68 CO 0.09 0.31 -0.18 -0.63 0.00 0.00 0.00 174.94 174.53 1k82 s ILE 69 N 1.51 2.65 0.03 2.92 1.01 0.21 -1.67 121.20 127.86 1k82 s ILE 69 Ca 0.06 -0.84 0.07 0.00 0.00 0.00 0.00 60.65 59.95 1k82 s ILE 69 Cb -0.15 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.25 1k82 s ILE 69 CO 0.07 0.56 -0.20 -2.28 0.00 0.00 0.00 174.94 173.09 1k82 s HIS 70 N -0.05 1.73 -0.60 3.97 2.46 -0.67 0.29 115.29 122.42 1k82 s HIS 70 Ca -0.05 -0.36 0.23 0.00 0.47 0.00 0.00 55.06 55.36 1k82 s HIS 70 Cb -0.14 -1.05 0.12 0.00 -0.13 0.00 0.00 32.58 31.37 1k82 s HIS 70 CO 0.04 0.06 1.09 1.28 -2.47 0.00 0.00 174.74 174.74 1k82 n LEU 71 N 2.05 0.63 0.00 8.88 4.77 -1.26 -1.96 117.00 130.11 1k82 n LEU 71 Ca -0.17 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1k82 n LEU 71 Cb 0.53 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1k82 n LEU 71 CO 0.23 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1k82 n GLY 72 N 1.35 2.34 0.05 -0.72 0.00 -1.26 -0.37 105.19 106.60 1k82 n GLY 72 Ca 0.02 -0.48 0.03 0.00 0.00 0.00 0.00 46.02 45.60 1k82 n GLY 72 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1k82 n MET 73 N 13.44 0.66 -0.13 1.61 2.81 -1.26 -4.10 117.12 130.15 1k82 n MET 73 Ca 0.00 -0.07 0.01 0.00 -1.81 0.00 0.00 57.70 55.83 1k82 n MET 73 Cb 0.00 -1.57 0.01 0.00 -0.71 0.00 0.00 33.22 30.95 1k82 n MET 73 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1k82 n SER 74 N -2.51 0.62 -4.90 7.83 3.41 -1.23 -4.35 113.62 112.49 1k82 n SER 74 Ca -0.13 -1.64 -0.28 0.00 -0.26 0.00 0.00 58.87 56.56 1k82 n SER 74 Cb 0.78 -0.09 0.01 0.00 -0.26 0.00 0.00 64.21 64.65 1k82 n SER 74 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1k82 s GLY 75 N -0.72 1.56 0.16 5.00 0.00 0.50 -4.42 107.32 109.40 1k82 s GLY 75 Ca 0.03 -0.46 -0.20 0.00 0.00 0.00 0.00 44.72 44.09 1k82 s GLY 75 CO 0.00 -0.24 0.52 -1.35 0.00 0.00 0.00 173.10 172.03 1k82 s SER 76 N -4.18 -0.40 -0.05 1.64 1.04 -0.73 -4.87 113.70 106.16 1k82 s SER 76 Ca 0.51 -0.20 0.05 0.00 0.48 0.00 0.00 55.95 56.79 1k82 s SER 76 Cb -0.11 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 66.56 1k82 s SER 76 CO 0.47 -0.95 -0.21 -0.76 0.98 0.00 0.00 173.24 172.77 1k82 s LEU 77 N -2.79 2.00 -0.01 2.42 1.43 -1.26 -1.64 118.68 118.82 1k82 s LEU 77 Ca 0.03 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.74 1k82 s LEU 77 Cb -0.00 -1.17 -0.01 0.00 0.03 0.00 0.00 46.19 45.05 1k82 s LEU 77 CO -0.11 0.21 -0.12 -0.13 0.23 0.00 0.00 176.35 176.43 1k82 s ARG 78 N -0.12 1.01 -0.39 1.70 0.52 0.17 -4.96 118.95 116.88 1k82 s ARG 78 Ca -0.02 -0.41 -0.19 0.00 -0.52 0.00 0.00 55.73 54.59 1k82 s ARG 78 Cb -0.12 -0.96 0.01 0.00 0.52 0.00 0.00 34.95 34.39 1k82 s ARG 78 CO 0.02 0.23 0.54 0.42 0.02 0.00 0.00 175.30 176.53 1k82 s ILE 79 N -0.16 4.97 -0.11 1.52 -1.09 -1.26 0.44 121.20 125.50 1k82 s ILE 79 Ca 0.03 0.12 -0.16 0.00 -2.23 0.00 0.00 60.65 58.41 1k82 s ILE 79 Cb -0.06 -4.05 -0.05 0.00 -1.58 0.00 0.00 42.46 36.72 1k82 s ILE 79 CO -0.00 -0.38 0.40 -0.76 -1.23 0.00 0.00 174.94 172.97 1k82 s LEU 80 N 2.47 4.30 0.27 2.97 1.43 0.16 -4.90 118.68 125.38 1k82 s LEU 80 Ca 0.18 0.72 -0.01 0.00 -1.03 0.00 0.00 54.13 54.00 1k82 s LEU 80 Cb -0.15 -2.55 0.46 0.00 0.03 0.00 0.00 46.19 43.97 1k82 s LEU 80 CO 0.15 0.09 1.87 -0.65 0.23 0.00 0.00 176.35 178.04 1k82 h PRO 81 N 6.37 1.09 0.00 1.29 0.11 -1.86 0.16 132.00 139.15 1k82 h PRO 81 Ca -0.43 -0.07 -0.47 0.00 0.11 0.00 0.00 66.00 65.14 1k82 h PRO 81 Cb 1.18 -0.25 -0.13 0.00 0.11 0.00 0.00 31.00 31.92 1k82 h PRO 81 CO 0.73 0.72 -0.46 0.39 -0.21 0.00 0.00 178.00 179.17 1k82 n GLU 82 N -4.53 0.43 -2.43 1.05 1.02 -1.23 -3.63 120.64 111.32 1k82 n GLU 82 Ca 0.16 -3.35 -0.38 0.00 -0.02 0.00 0.00 57.16 53.58 1k82 n GLU 82 Cb 0.24 2.78 -0.03 0.00 -0.02 0.00 0.00 31.44 34.40 1k82 n GLU 82 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1k82 s GLU 83 N -3.34 3.38 0.67 3.49 2.02 -1.26 -4.60 118.70 119.06 1k82 s GLU 83 Ca 0.40 -1.12 -0.12 0.00 0.02 0.00 0.00 54.97 54.14 1k82 s GLU 83 Cb 0.02 -5.33 0.00 0.00 0.10 0.00 0.00 34.13 28.92 1k82 s GLU 83 CO 0.28 -2.58 1.06 -0.51 0.02 0.00 0.00 175.26 173.54 1k82 s LEU 84 N 6.28 3.23 0.32 1.80 1.02 -1.26 -5.01 118.68 125.06 1k82 s LEU 84 Ca 0.54 1.70 -0.29 0.00 0.02 0.00 0.00 54.13 56.10 1k82 s LEU 84 Cb -0.01 -4.51 -0.10 0.00 0.02 0.00 0.00 46.19 41.59 1k82 s LEU 84 CO -0.03 -1.43 1.28 -2.84 0.02 0.00 0.00 176.35 173.35 1k82 s PRO 85 N -4.74 4.39 0.55 1.29 0.02 -1.26 -5.00 135.00 130.25 1k82 s PRO 85 Ca 0.60 2.16 -0.11 0.00 0.02 0.00 0.00 61.00 63.67 1k82 s PRO 85 Cb -0.15 -3.09 -0.05 0.00 0.02 0.00 0.00 34.50 31.23 1k82 s PRO 85 CO 0.50 -0.13 0.95 -1.25 -0.33 0.00 0.00 177.00 176.73 1k82 s PRO 86 N -1.71 3.68 0.37 5.54 0.04 -1.26 -5.10 135.00 136.56 1k82 s PRO 86 Ca 0.48 0.66 0.07 0.00 0.04 0.00 0.00 61.00 62.26 1k82 s PRO 86 Cb -0.39 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 31.95 1k82 s PRO 86 CO 0.51 -0.38 0.37 -1.21 0.04 0.00 0.00 177.00 176.33 1k82 s GLU 87 N -4.73 2.71 0.60 4.56 2.02 -1.26 -5.00 118.70 117.61 1k82 s GLU 87 Ca 0.54 -1.34 0.29 0.00 0.02 0.00 0.00 54.97 54.48 1k82 s GLU 87 Cb -0.11 -2.51 1.56 0.00 0.10 0.00 0.00 34.13 33.18 1k82 s GLU 87 CO 0.45 -0.05 1.97 1.57 0.02 0.00 0.00 175.26 179.22 1k82 h LYS 88 N 1.07 0.00 -0.28 1.61 2.10 -2.03 0.21 116.57 119.24 1k82 h LYS 88 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1k82 h LYS 88 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1k82 h LYS 88 CO 0.56 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.73 1k82 n HIS 89 N -3.62 0.78 -2.60 0.07 8.25 -1.26 -4.82 115.22 112.01 1k82 n HIS 89 Ca 0.05 -0.76 -0.43 0.00 -0.26 0.00 0.00 57.72 56.32 1k82 n HIS 89 Cb 0.51 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.40 1k82 n HIS 89 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1k82 n ASP 90 N -0.20 4.94 0.19 0.41 8.00 0.06 -1.53 116.55 128.43 1k82 n ASP 90 Ca 0.18 -2.95 0.09 0.00 0.71 0.00 0.00 54.79 52.81 1k82 n ASP 90 Cb 0.74 -1.65 0.13 0.00 -0.02 0.00 0.00 41.12 40.32 1k82 n ASP 90 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 1k82 h HIS 91 N 7.05 0.00 -3.49 1.24 3.86 -1.69 -3.43 115.15 118.69 1k82 h HIS 91 Ca 0.41 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 59.34 1k82 h HIS 91 Cb 0.82 0.00 -0.33 0.00 1.06 0.00 0.00 27.41 28.96 1k82 h HIS 91 CO 1.29 0.19 -0.70 0.08 0.86 0.00 0.00 177.93 179.65 1k82 s VAL 92 N -3.13 -0.05 -0.01 2.45 1.01 -1.17 0.20 120.40 119.70 1k82 s VAL 92 Ca 0.06 0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.30 1k82 s VAL 92 Cb 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.32 1k82 s VAL 92 CO 0.70 0.08 -0.25 -1.81 0.00 0.00 0.00 175.10 173.81 1k82 s ASP 93 N 0.97 2.95 -0.30 3.32 1.01 0.71 -0.88 116.67 124.45 1k82 s ASP 93 Ca -0.08 -0.47 0.00 0.00 0.71 0.00 0.00 52.55 52.71 1k82 s ASP 93 Cb -0.11 -0.32 0.06 0.00 1.01 0.00 0.00 42.92 43.56 1k82 s ASP 93 CO -0.03 0.30 -0.01 -0.76 0.21 0.00 0.00 175.17 174.87 1k82 s LEU 94 N -0.68 3.94 -0.31 1.23 1.02 0.33 -1.47 118.68 122.73 1k82 s LEU 94 Ca 0.10 -1.44 -0.25 0.00 0.02 0.00 0.00 54.13 52.55 1k82 s LEU 94 Cb -0.10 -1.66 0.01 0.00 0.02 0.00 0.00 46.19 44.45 1k82 s LEU 94 CO -0.01 -0.27 0.87 -0.69 0.02 0.00 0.00 176.35 176.28 1k82 s VAL 95 N 1.17 4.71 0.48 -1.59 1.01 -0.20 -1.70 120.40 124.28 1k82 s VAL 95 Ca -0.04 1.34 -0.03 0.00 0.00 0.00 0.00 61.98 63.25 1k82 s VAL 95 Cb -0.20 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 31.94 1k82 s VAL 95 CO -0.03 -0.32 0.75 -0.04 0.00 0.00 0.00 175.10 175.45 1k82 s MET 96 N 3.17 3.23 0.33 2.72 1.00 -0.82 0.49 119.30 129.42 1k82 s MET 96 Ca 0.36 -0.14 0.15 0.00 0.00 0.00 0.00 55.69 56.06 1k82 s MET 96 Cb -0.14 -2.45 0.56 0.00 0.00 0.00 0.00 34.83 32.81 1k82 s MET 96 CO 0.13 -0.30 1.69 0.66 0.00 0.00 0.00 175.02 177.21 1k82 h SER 97 N 0.25 0.00 -0.02 3.03 4.64 -1.08 -3.19 113.55 117.18 1k82 h SER 97 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1k82 h SER 97 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1k82 h SER 97 CO 0.60 0.47 0.00 -0.46 -0.87 0.00 0.00 176.83 176.57 1k82 n ASN 98 N -3.69 0.42 0.00 4.97 6.94 -1.26 -4.83 115.26 117.80 1k82 n ASN 98 Ca -0.01 -2.01 0.00 0.00 -0.02 0.00 0.00 54.58 52.54 1k82 n ASN 98 Cb 0.54 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.81 1k82 n ASN 98 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1k82 n GLY 99 N 0.39 1.68 4.00 4.83 0.00 -1.20 -5.02 105.19 109.87 1k82 n GLY 99 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1k82 n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k82 s LYS 100 N -0.03 2.56 -0.00 1.61 1.02 -1.24 -3.52 119.74 120.14 1k82 s LYS 100 Ca 0.00 -1.11 0.01 0.00 0.02 0.00 0.00 55.97 54.88 1k82 s LYS 100 Cb 0.00 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 1k82 s LYS 100 CO 0.00 -0.61 -0.02 0.08 -0.92 0.00 0.00 175.35 173.88 1k82 s VAL 101 N -2.61 0.20 -0.41 3.17 1.01 0.57 -1.94 120.40 120.39 1k82 s VAL 101 Ca 0.58 -0.09 -0.23 0.00 0.00 0.00 0.00 61.98 62.24 1k82 s VAL 101 Cb -0.09 -0.18 0.02 0.00 0.00 0.00 0.00 36.38 36.12 1k82 s VAL 101 CO 0.37 0.06 0.76 -0.22 0.00 0.00 0.00 175.10 176.07 1k82 s LEU 102 N 0.03 4.23 -0.16 3.92 2.96 -0.69 0.37 118.68 129.34 1k82 s LEU 102 Ca 0.00 0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 53.96 1k82 s LEU 102 Cb -0.02 -2.95 -0.01 0.00 0.50 0.00 0.00 46.19 43.71 1k82 s LEU 102 CO -0.00 -0.81 -0.12 -0.60 -1.32 0.00 0.00 176.35 173.50 1k82 s ARG 103 N 3.13 3.33 -0.22 1.98 3.52 0.17 -0.51 118.95 130.35 1k82 s ARG 103 Ca 0.29 -0.69 -0.08 0.00 -0.13 0.00 0.00 55.73 55.12 1k82 s ARG 103 Cb -0.13 -2.71 -0.04 0.00 -1.56 0.00 0.00 34.95 30.51 1k82 s ARG 103 CO 0.20 0.06 0.10 -0.47 -0.81 0.00 0.00 175.30 174.37 1k82 s TYR 104 N 0.75 3.22 -0.09 5.12 5.04 -0.06 0.42 117.35 131.75 1k82 s TYR 104 Ca -0.05 -0.01 0.05 0.00 -2.44 0.00 0.00 57.07 54.62 1k82 s TYR 104 Cb -0.15 -2.18 -0.00 0.00 0.35 0.00 0.00 41.96 39.97 1k82 s TYR 104 CO 0.01 -0.01 -0.24 0.99 -1.34 0.00 0.00 175.55 174.96 1k82 s THR 105 N 0.93 2.08 -0.41 4.34 2.01 -0.65 -1.93 115.64 122.01 1k82 s THR 105 Ca 0.05 -1.03 0.06 0.00 0.31 0.00 0.00 61.69 61.08 1k82 s THR 105 Cb -0.14 -1.78 0.18 0.00 0.01 0.00 0.00 72.50 70.78 1k82 s THR 105 CO 0.03 0.56 0.68 -0.62 -0.69 0.00 0.00 174.62 174.59 1k82 s ASP 106 N 0.18 -1.40 0.10 3.53 2.15 -0.58 -1.77 116.67 118.87 1k82 s ASP 106 Ca -0.14 -0.81 -0.22 0.00 0.43 0.00 0.00 52.55 51.81 1k82 s ASP 106 Cb -0.17 1.80 -0.12 0.00 -0.30 0.00 0.00 42.92 44.13 1k82 s ASP 106 CO 0.07 -0.14 1.75 -0.65 -0.17 0.00 0.00 175.17 176.03 1k82 h PRO 107 N 6.63 0.09 0.00 4.34 0.11 -1.81 -2.36 132.00 139.00 1k82 h PRO 107 Ca 0.04 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1k82 h PRO 107 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1k82 h PRO 107 CO 0.07 0.07 0.00 0.00 -0.21 0.00 0.00 178.00 177.93 1k82 h ARG 108 N 0.09 0.00 -5.28 1.05 3.08 -1.96 -3.47 114.38 107.89 1k82 h ARG 108 Ca 0.03 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.73 1k82 h ARG 108 Cb -0.01 0.00 0.13 0.00 0.08 0.00 0.00 29.97 30.17 1k82 h ARG 108 CO -0.01 0.00 -0.61 0.54 -1.07 0.00 0.00 179.97 178.82 1k82 n ARG 109 N -3.09 -6.90 -0.18 0.04 1.74 -0.89 -4.88 116.66 102.49 1k82 n ARG 109 Ca 0.02 0.74 0.11 0.00 -0.77 0.00 0.00 57.85 57.95 1k82 n ARG 109 Cb 0.42 -5.49 0.25 0.00 -1.02 0.00 0.00 32.46 26.62 1k82 n ARG 109 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1k82 n PHE 110 N -4.59 0.47 -1.27 -1.55 3.01 -1.26 -2.72 117.46 109.56 1k82 n PHE 110 Ca -0.03 -0.24 0.00 0.00 1.01 0.00 0.00 57.45 58.19 1k82 n PHE 110 Cb 0.57 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.04 1k82 n PHE 110 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1k82 n GLY 111 N 1.44 0.23 3.55 1.37 0.00 -1.26 -3.98 105.19 106.55 1k82 n GLY 111 Ca 0.19 -1.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 1k82 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k82 s ALA 112 N -3.19 -1.87 -0.22 4.61 0.00 -0.83 0.06 121.76 120.33 1k82 s ALA 112 Ca 0.00 1.47 -0.01 0.00 0.00 0.00 0.00 51.96 53.42 1k82 s ALA 112 Cb 0.00 -0.41 0.06 0.00 0.00 0.00 0.00 23.12 22.77 1k82 s ALA 112 CO 0.00 -0.34 0.01 -1.58 0.00 0.00 0.00 175.76 173.85 1k82 s TRP 113 N -1.19 1.54 0.07 0.00 0.52 -1.26 -1.67 118.94 116.95 1k82 s TRP 113 Ca -0.05 -1.23 0.06 0.00 0.02 0.00 0.00 56.10 54.90 1k82 s TRP 113 Cb -0.00 -1.27 -0.03 0.00 -1.15 0.00 0.00 33.47 31.02 1k82 s TRP 113 CO 0.05 -0.69 -0.18 -0.51 0.02 0.00 0.00 176.95 175.64 1k82 s LEU 114 N 1.68 2.24 -0.10 2.99 1.43 -0.67 -2.11 118.68 124.13 1k82 s LEU 114 Ca -0.02 -0.58 -0.01 0.00 -1.03 0.00 0.00 54.13 52.49 1k82 s LEU 114 Cb -0.18 -0.75 -0.03 0.00 0.03 0.00 0.00 46.19 45.27 1k82 s LEU 114 CO -0.09 0.04 -0.05 0.86 0.23 0.00 0.00 176.35 177.34 1k82 s TRP 115 N -1.04 3.00 -0.02 0.29 -0.11 -1.26 -0.23 118.94 119.57 1k82 s TRP 115 Ca 0.03 -0.08 -0.03 0.00 1.22 0.00 0.00 56.10 57.24 1k82 s TRP 115 Cb -0.09 -1.82 0.01 0.00 -1.50 0.00 0.00 33.47 30.07 1k82 s TRP 115 CO 0.03 0.21 0.07 -0.08 -4.62 0.00 0.00 176.95 172.56 1k82 s THR 116 N -0.37 0.01 0.06 5.86 -1.32 -0.88 -5.00 115.64 113.99 1k82 s THR 116 Ca 0.06 -0.08 -0.17 0.00 -1.21 0.00 0.00 61.69 60.28 1k82 s THR 116 Cb -0.12 -0.14 -0.15 0.00 -1.51 0.00 0.00 72.50 70.58 1k82 s THR 116 CO 0.02 -0.04 1.30 0.07 -2.21 0.00 0.00 174.62 173.76 1k82 h LYS 117 N 5.87 0.55 -5.74 7.08 -0.00 -1.87 0.81 116.57 123.28 1k82 h LYS 117 Ca -0.25 -0.38 -0.51 0.00 -0.00 0.00 0.00 60.65 59.52 1k82 h LYS 117 Cb 1.20 0.05 -0.24 0.00 -0.00 0.00 0.00 32.23 33.25 1k82 h LYS 117 CO 0.46 0.99 -0.81 -1.21 -0.00 0.00 0.00 179.45 178.87 1k82 s GLU 118 N -3.95 1.11 0.17 0.07 0.41 -1.26 -4.32 118.70 110.92 1k82 s GLU 118 Ca -0.13 -0.92 -0.05 0.00 -0.41 0.00 0.00 54.97 53.47 1k82 s GLU 118 Cb 0.06 -1.20 0.04 0.00 -1.78 0.00 0.00 34.13 31.25 1k82 s GLU 118 CO 0.82 0.29 1.44 -0.07 -0.49 0.00 0.00 175.26 177.25 1k82 h LEU 119 N 4.67 0.65 -9.83 1.80 3.38 -1.99 -3.42 115.31 110.58 1k82 h LEU 119 Ca -0.41 -0.39 -0.52 0.00 0.09 0.00 0.00 57.88 56.65 1k82 h LEU 119 Cb 1.17 -0.19 0.04 0.00 0.09 0.00 0.00 40.66 41.78 1k82 h LEU 119 CO 0.43 1.13 0.57 -1.83 0.09 0.00 0.00 178.44 178.83 1k82 s GLU 120 N -3.84 4.47 0.00 1.13 -1.05 -1.26 -2.64 118.70 115.51 1k82 s GLU 120 Ca -0.07 2.03 0.00 0.00 -0.15 0.00 0.00 54.97 56.78 1k82 s GLU 120 Cb 0.10 -3.13 0.00 0.00 -0.44 0.00 0.00 34.13 30.66 1k82 s GLU 120 CO 0.85 -0.03 0.00 0.41 0.95 0.00 0.00 175.26 177.44 1k82 n GLY 121 N 1.11 2.96 3.72 -3.83 0.00 -1.26 -4.98 105.19 102.90 1k82 n GLY 121 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1k82 n GLY 121 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1k82 s HIS 122 N -1.64 3.18 0.74 1.61 5.04 -1.08 -4.88 115.29 118.26 1k82 s HIS 122 Ca 0.00 0.85 -0.11 0.00 -1.54 0.00 0.00 55.06 54.25 1k82 s HIS 122 Cb 0.00 -3.76 0.03 0.00 0.04 0.00 0.00 32.58 28.89 1k82 s HIS 122 CO 0.00 -2.72 1.09 0.54 -2.34 0.00 0.00 174.74 171.32 1k82 s ASN 123 N 1.13 5.13 0.00 9.88 2.20 -1.26 -1.16 114.94 130.85 1k82 s ASN 123 Ca 0.66 1.22 0.00 0.00 -0.94 0.00 0.00 52.86 53.81 1k82 s ASN 123 Cb -0.39 -2.01 0.00 0.00 -2.00 0.00 0.00 41.25 36.85 1k82 s ASN 123 CO 0.30 -1.55 0.00 1.33 -2.94 0.00 0.00 177.10 174.24 1k82 n VAL 124 N -3.15 0.00 -0.03 3.54 0.24 -1.26 -4.54 118.33 113.13 1k82 n VAL 124 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 1k82 n VAL 124 Cb 0.57 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.85 1k82 n VAL 124 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1k82 n LEU 125 N 0.00 0.00 -4.77 1.34 4.77 -1.19 -4.91 117.00 112.24 1k82 n LEU 125 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.60 1k82 n LEU 125 Cb 0.00 0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1k82 n LEU 125 CO 0.00 0.13 0.86 -0.89 -1.33 0.00 0.00 177.39 176.16 1k82 s THR 126 N -2.53 3.00 -0.43 -5.08 2.01 -0.31 -3.45 115.64 108.86 1k82 s THR 126 Ca -0.05 0.82 0.00 0.00 0.31 0.00 0.00 61.69 62.78 1k82 s THR 126 Cb 0.05 -3.45 0.00 0.00 0.01 0.00 0.00 72.50 69.11 1k82 s THR 126 CO 0.46 0.06 0.00 1.41 -0.69 0.00 0.00 174.62 175.85 1k82 n HIS 127 N -0.11 0.00 -2.76 4.92 8.25 -1.26 -4.95 115.22 119.32 1k82 n HIS 127 Ca 0.05 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.12 1k82 n HIS 127 Cb 0.46 -1.21 -0.06 0.00 1.12 0.00 0.00 29.99 30.30 1k82 n HIS 127 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1k82 s LEU 128 N -0.91 4.56 1.21 2.41 1.43 -1.22 -4.58 118.68 121.57 1k82 s LEU 128 Ca 0.00 1.92 -0.20 0.00 -1.03 0.00 0.00 54.13 54.82 1k82 s LEU 128 Cb 0.00 -3.73 0.29 0.00 0.03 0.00 0.00 46.19 42.78 1k82 s LEU 128 CO 0.00 0.09 1.14 -0.83 0.23 0.00 0.00 176.35 176.98 1k82 s GLY 129 N -1.31 1.61 0.69 -3.19 0.00 0.12 -4.97 107.32 100.28 1k82 s GLY 129 Ca 0.44 -1.07 -0.15 0.00 0.00 0.00 0.00 44.72 43.94 1k82 s GLY 129 CO 0.30 -0.16 1.14 2.56 0.00 0.00 0.00 173.10 176.94 1k82 s PRO 130 N -5.54 2.49 0.14 2.90 0.04 -1.26 -4.37 135.00 129.41 1k82 s PRO 130 Ca 0.72 1.52 -0.31 0.00 0.04 0.00 0.00 61.00 62.97 1k82 s PRO 130 Cb -0.07 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 1k82 s PRO 130 CO 0.55 -1.51 1.49 -1.21 0.04 0.00 0.00 177.00 176.37 1k82 s GLU 131 N -4.06 4.26 0.48 4.56 0.41 -1.26 -1.94 118.70 121.14 1k82 s GLU 131 Ca 0.69 2.24 0.24 0.00 -0.41 0.00 0.00 54.97 57.74 1k82 s GLU 131 Cb -0.24 -3.20 1.19 0.00 -1.78 0.00 0.00 34.13 30.11 1k82 s GLU 131 CO 0.44 -0.54 1.96 -1.00 -0.49 0.00 0.00 175.26 175.63 1k82 h PRO 132 N 6.81 0.00 -0.06 0.39 0.13 -1.94 -2.24 132.00 135.10 1k82 h PRO 132 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1k82 h PRO 132 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1k82 h PRO 132 CO 0.89 0.19 0.00 1.28 -0.23 0.00 0.00 178.00 180.13 1k82 n LEU 133 N -3.63 0.93 -4.95 1.56 4.77 -1.26 -4.69 117.00 109.72 1k82 n LEU 133 Ca -0.01 -0.35 -0.23 0.00 -0.03 0.00 0.00 56.01 55.39 1k82 n LEU 133 Cb 0.32 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 1k82 n LEU 133 CO 0.32 0.18 0.13 -0.94 -1.33 0.00 0.00 177.39 175.75 1k82 s SER 134 N -1.77 6.23 0.10 -1.43 1.04 -0.84 -4.97 113.70 112.06 1k82 s SER 134 Ca 0.36 0.31 0.18 0.00 0.48 0.00 0.00 55.95 57.28 1k82 s SER 134 Cb 0.18 -1.89 0.77 0.00 0.10 0.00 0.00 66.02 65.18 1k82 s SER 134 CO 0.29 -0.29 1.57 0.47 0.98 0.00 0.00 173.24 176.26 1k82 n ASP 135 N -1.72 0.27 0.27 7.02 8.00 -1.26 -1.44 116.55 127.68 1k82 n ASP 135 Ca -0.05 0.56 0.11 0.00 0.71 0.00 0.00 54.79 56.13 1k82 n ASP 135 Cb 0.57 -0.62 0.74 0.00 -0.02 0.00 0.00 41.12 41.79 1k82 n ASP 135 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1k82 h ASP 136 N 0.00 0.00 -3.57 -2.24 5.19 -1.93 -3.36 116.42 110.50 1k82 h ASP 136 Ca 0.00 0.00 -0.69 0.00 -0.62 0.00 0.00 57.03 55.72 1k82 h ASP 136 Cb 0.30 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 39.63 1k82 h ASP 136 CO 0.00 0.07 -0.23 0.12 -3.12 0.00 0.00 179.24 176.08 1k82 s PHE 137 N -4.58 3.18 0.14 4.55 5.36 -0.52 -4.88 117.98 121.23 1k82 s PHE 137 Ca -0.04 -0.28 0.00 0.00 -0.96 0.00 0.00 56.93 55.65 1k82 s PHE 137 Cb 0.15 -2.83 0.00 0.00 -0.34 0.00 0.00 43.02 40.00 1k82 s PHE 137 CO 0.61 -0.63 0.18 0.27 -1.46 0.00 0.00 175.22 174.19 1k82 n ASN 138 N 5.54 -0.49 -0.10 6.13 0.23 -1.26 -4.85 115.26 120.46 1k82 n ASN 138 Ca -0.08 -1.78 -0.12 0.00 -0.53 0.00 0.00 54.58 52.08 1k82 n ASN 138 Cb 0.48 0.95 -0.04 0.00 -2.08 0.00 0.00 39.78 39.08 1k82 n ASN 138 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1k82 h GLY 139 N 0.79 0.62 0.93 4.83 0.00 -1.83 -1.21 103.07 107.19 1k82 h GLY 139 Ca -0.11 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 1k82 h GLY 139 CO 0.14 0.50 0.12 -2.09 0.00 0.00 0.00 176.54 175.21 1k82 h GLU 140 N 0.32 0.35 -0.13 4.80 4.57 -1.90 0.23 114.58 122.82 1k82 h GLU 140 Ca 0.07 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1k82 h GLU 140 Cb 0.62 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.12 1k82 h GLU 140 CO 0.04 0.35 -0.04 -0.92 -1.18 0.00 0.00 179.01 177.26 1k82 h TYR 141 N 0.26 -0.09 -0.30 0.92 3.20 -1.88 -0.86 116.97 118.22 1k82 h TYR 141 Ca 0.08 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.00 1k82 h TYR 141 Cb 0.11 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1k82 h TYR 141 CO -0.02 -0.07 0.10 1.25 -1.64 0.00 0.00 178.16 177.78 1k82 h LEU 142 N -0.01 0.10 -0.59 2.82 5.85 -1.00 -0.21 115.31 122.27 1k82 h LEU 142 Ca 0.07 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.86 1k82 h LEU 142 Cb 0.11 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1k82 h LEU 142 CO -0.14 0.09 0.33 -0.74 -0.34 0.00 0.00 178.44 177.64 1k82 h HIS 143 N 0.23 0.62 -0.15 1.25 2.76 -0.05 -0.44 115.15 119.37 1k82 h HIS 143 Ca 0.13 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 1k82 h HIS 143 Cb 0.11 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 1k82 h HIS 143 CO -0.14 0.33 0.10 1.96 -1.30 0.00 0.00 177.93 178.88 1k82 h GLN 144 N 0.65 0.21 0.00 5.26 4.20 -0.85 -2.88 115.11 121.70 1k82 h GLN 144 Ca 0.25 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.93 1k82 h GLN 144 Cb 0.09 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 1k82 h GLN 144 CO -0.14 0.16 -0.07 0.87 -0.67 0.00 0.00 178.83 178.98 1k82 h LYS 145 N 0.19 0.00 0.00 1.46 1.79 -0.43 -3.04 116.57 116.55 1k82 h LYS 145 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1k82 h LYS 145 Cb 0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1k82 h LYS 145 CO -0.01 0.07 -0.73 0.00 -1.08 0.00 0.00 179.45 177.70 1k82 h ALA 147 N 2.07 2.33 -0.18 0.00 0.00 -1.39 0.24 119.26 122.33 1k82 h ALA 147 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1k82 h ALA 147 Cb 0.96 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1k82 h ALA 147 CO 0.00 -0.55 0.00 1.63 0.00 0.00 0.00 179.25 180.33 1k82 n LYS 148 N -4.43 1.71 -2.03 0.00 5.02 -1.26 -4.86 118.16 112.31 1k82 n LYS 148 Ca 0.15 -1.70 -0.35 0.00 -2.02 0.00 0.00 58.31 54.38 1k82 n LYS 148 Cb 0.65 -1.32 0.03 0.00 -0.02 0.00 0.00 35.03 34.37 1k82 n LYS 148 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1k82 s LYS 149 N -1.18 3.01 0.00 1.97 -0.14 0.07 -4.93 119.74 118.54 1k82 s LYS 149 Ca 0.23 1.75 0.02 0.00 -1.36 0.00 0.00 55.97 56.61 1k82 s LYS 149 Cb 0.14 -1.94 0.05 0.00 -1.68 0.00 0.00 37.83 34.39 1k82 s LYS 149 CO 0.20 -1.16 0.92 1.63 -0.76 0.00 0.00 175.35 176.18 1k82 n LYS 150 N -1.62 2.00 -3.54 1.68 4.76 -1.26 -4.37 118.16 115.80 1k82 n LYS 150 Ca 0.13 -1.34 -0.17 0.00 -2.87 0.00 0.00 58.31 54.06 1k82 n LYS 150 Cb 0.50 -1.05 -0.04 0.00 -1.84 0.00 0.00 35.03 32.60 1k82 n LYS 150 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1k82 n THR 151 N -0.20 0.00 -2.10 -0.18 -2.24 -1.26 -4.98 114.28 103.32 1k82 n THR 151 Ca 0.02 -1.50 -0.35 0.00 -2.27 0.00 0.00 64.05 59.95 1k82 n THR 151 Cb 0.22 0.49 0.02 0.00 -2.10 0.00 0.00 70.33 68.96 1k82 n THR 151 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k82 s ALA 152 N -2.67 2.60 0.22 6.98 0.00 -1.26 -1.60 121.76 126.03 1k82 s ALA 152 Ca 0.10 0.84 -0.01 0.00 0.00 0.00 0.00 51.96 52.90 1k82 s ALA 152 Cb 0.01 -3.38 0.20 0.00 0.00 0.00 0.00 23.12 19.94 1k82 s ALA 152 CO 0.07 -0.98 1.56 0.97 0.00 0.00 0.00 175.76 177.38 1k82 h ILE 153 N 0.91 1.32 0.43 0.00 6.09 -0.80 -3.21 117.51 122.25 1k82 h ILE 153 Ca -0.50 -1.70 -0.02 0.00 -1.37 0.00 0.00 64.86 61.27 1k82 h ILE 153 Cb 1.27 1.70 0.00 0.00 0.47 0.00 0.00 36.82 40.26 1k82 h ILE 153 CO 0.56 0.53 -0.21 0.50 -3.07 0.00 0.00 178.15 176.46 1k82 h LYS 154 N 0.40 -0.55 -0.21 2.19 3.11 -1.79 -1.65 116.57 118.06 1k82 h LYS 154 Ca 0.02 0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.88 1k82 h LYS 154 Cb 0.99 0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 32.34 1k82 h LYS 154 CO 0.09 -0.35 0.04 -1.00 -2.81 0.00 0.00 179.45 175.41 1k82 h PRO 155 N -0.60 0.30 -0.67 1.90 0.13 -1.86 -1.81 132.00 129.40 1k82 h PRO 155 Ca -0.06 -0.04 0.07 0.00 -0.87 0.00 0.00 66.00 65.10 1k82 h PRO 155 Cb 0.45 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 31.49 1k82 h PRO 155 CO 0.10 0.30 0.44 2.35 -0.23 0.00 0.00 178.00 180.96 1k82 h TRP 156 N 0.30 0.65 0.00 1.56 -0.00 -1.44 -1.83 115.95 115.20 1k82 h TRP 156 Ca 0.07 0.02 -0.08 0.00 -0.00 0.00 0.00 58.89 58.90 1k82 h TRP 156 Cb 0.15 -0.21 -0.01 0.00 -0.00 0.00 0.00 29.16 29.08 1k82 h TRP 156 CO 0.00 0.34 -0.36 -0.07 -0.00 0.00 0.00 178.44 178.35 1k82 h LEU 157 N 0.64 0.00 -1.12 0.65 3.38 -0.41 -2.28 115.31 116.17 1k82 h LEU 157 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1k82 h LEU 157 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1k82 h LEU 157 CO -0.09 0.36 0.00 0.23 0.09 0.00 0.00 178.44 179.03 1k82 n MET 158 N -3.65 1.70 -3.28 1.13 2.81 -0.70 -4.59 117.12 110.54 1k82 n MET 158 Ca -0.01 -1.09 -0.43 0.00 -1.81 0.00 0.00 57.70 54.36 1k82 n MET 158 Cb 0.47 -1.24 -0.08 0.00 -0.71 0.00 0.00 33.22 31.66 1k82 n MET 158 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1k82 s ASP 159 N -1.02 6.22 0.49 7.83 -1.08 -0.86 -4.94 116.67 123.31 1k82 s ASP 159 Ca 0.21 -0.64 0.30 0.00 -0.52 0.00 0.00 52.55 51.90 1k82 s ASP 159 Cb 0.11 -2.24 1.66 0.00 -1.46 0.00 0.00 42.92 40.98 1k82 s ASP 159 CO 0.14 -0.63 1.92 0.78 0.52 0.00 0.00 175.17 177.90 1k82 h ASN 160 N 8.77 0.00 0.69 -0.34 2.35 -1.87 0.23 115.58 125.40 1k82 h ASN 160 Ca -0.26 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.33 1k82 h ASN 160 Cb 1.11 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.46 1k82 h ASN 160 CO 0.82 0.00 -0.73 0.50 -1.65 0.00 0.00 177.43 176.37 1k82 h LYS 161 N 0.00 0.03 0.11 0.81 3.64 -1.92 0.35 116.57 119.59 1k82 h LYS 161 Ca 0.00 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.20 1k82 h LYS 161 Cb 0.13 0.01 0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1k82 h LYS 161 CO 0.00 0.74 -0.66 1.25 -2.27 0.00 0.00 179.45 178.52 1k82 h LEU 162 N 0.02 0.39 -7.00 5.20 5.85 -0.84 -3.36 115.31 115.58 1k82 h LEU 162 Ca -0.01 -0.94 0.01 0.00 0.84 0.00 0.00 57.88 57.78 1k82 h LEU 162 Cb 1.29 -0.13 -0.21 0.00 0.37 0.00 0.00 40.66 41.98 1k82 h LEU 162 CO 0.10 1.31 0.37 0.54 -0.34 0.00 0.00 178.44 180.42 1k82 s VAL 163 N -2.47 0.00 0.36 1.05 0.11 -1.08 -4.31 120.40 114.06 1k82 s VAL 163 Ca -0.14 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 58.96 1k82 s VAL 163 Cb 0.00 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.85 1k82 s VAL 163 CO 0.81 0.00 0.51 0.68 -3.33 0.00 0.00 175.10 173.77 1k82 s VAL 164 N -1.09 4.04 0.00 2.04 -7.23 -0.82 -3.95 120.40 113.38 1k82 s VAL 164 Ca -0.06 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 59.20 1k82 s VAL 164 Cb -0.00 -3.41 0.00 0.00 0.56 0.00 0.00 36.38 33.52 1k82 s VAL 164 CO 0.05 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.27 1k82 n GLY 165 N -1.73 2.43 3.38 2.32 0.00 -1.26 -4.22 105.19 106.11 1k82 n GLY 165 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 1k82 n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k82 s VAL 166 N -3.24 5.31 0.00 1.61 1.01 -1.26 -2.02 120.40 121.80 1k82 s VAL 166 Ca 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 61.98 59.78 1k82 s VAL 166 Cb 0.00 -4.60 0.00 0.00 0.00 0.00 0.00 36.38 31.78 1k82 s VAL 166 CO 0.00 -1.22 0.00 0.61 0.00 0.00 0.00 175.10 174.49 1k82 n GLY 167 N 4.45 -0.37 0.33 4.51 0.00 -1.26 -3.98 105.19 108.87 1k82 n GLY 167 Ca 0.19 -1.64 -0.01 0.00 0.00 0.00 0.00 46.02 44.55 1k82 n GLY 167 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1k82 h ASN 168 N 0.00 0.83 0.17 1.61 -1.24 -1.95 -1.73 115.58 113.26 1k82 h ASN 168 Ca 0.00 -0.08 -0.01 0.00 0.71 0.00 0.00 56.30 56.92 1k82 h ASN 168 Cb 0.00 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 38.84 1k82 h ASN 168 CO 0.00 0.70 -0.08 0.40 -1.29 0.00 0.00 177.43 177.16 1k82 h ILE 169 N 0.93 0.93 0.00 2.57 2.04 -1.93 -3.18 117.51 118.86 1k82 h ILE 169 Ca 0.23 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1k82 h ILE 169 Cb 0.08 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1k82 h ILE 169 CO -0.03 0.21 0.00 1.88 0.00 0.00 0.00 178.15 180.21 1k82 h TYR 170 N -0.76 0.00 -0.13 1.37 0.05 -1.89 -1.71 116.97 113.90 1k82 h TYR 170 Ca -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 1k82 h TYR 170 Cb 0.52 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 1k82 h TYR 170 CO 0.07 0.00 0.06 0.00 -1.05 0.00 0.00 178.16 177.24 1k82 h ALA 171 N 2.01 0.17 -0.30 3.88 0.00 -1.38 -0.20 119.26 123.44 1k82 h ALA 171 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1k82 h ALA 171 Cb 0.72 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1k82 h ALA 171 CO 0.00 -0.27 -0.09 0.77 0.00 0.00 0.00 179.25 179.66 1k82 h SER 172 N 0.08 0.61 -0.48 0.00 0.02 -1.46 -2.51 113.55 109.80 1k82 h SER 172 Ca 0.04 -0.38 -0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1k82 h SER 172 Cb 0.12 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1k82 h SER 172 CO -0.01 0.85 0.28 -0.33 -1.14 0.00 0.00 176.83 176.49 1k82 h GLU 173 N 0.36 0.66 -0.73 3.45 4.39 -1.32 -1.99 114.58 119.41 1k82 h GLU 173 Ca 0.07 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 1k82 h GLU 173 Cb 0.59 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 1k82 h GLU 173 CO 0.03 0.50 0.37 0.77 -1.16 0.00 0.00 179.01 179.53 1k82 h SER 174 N 0.64 0.91 -0.06 1.42 0.02 -0.98 -1.35 113.55 114.16 1k82 h SER 174 Ca 0.17 -0.09 -0.18 0.00 -0.84 0.00 0.00 61.79 60.86 1k82 h SER 174 Cb 0.01 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.32 1k82 h SER 174 CO -0.03 0.75 -0.59 -0.07 -1.14 0.00 0.00 176.83 175.75 1k82 h LEU 175 N 1.02 0.75 0.45 5.07 3.38 -1.13 -2.07 115.31 122.77 1k82 h LEU 175 Ca 0.25 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1k82 h LEU 175 Cb 0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1k82 h LEU 175 CO -0.04 1.17 -0.31 0.15 0.09 0.00 0.00 178.44 179.50 1k82 h PHE 176 N 0.50 -0.83 -0.75 1.13 3.57 -0.99 -0.48 116.94 119.08 1k82 h PHE 176 Ca -0.00 -0.00 0.22 0.00 3.53 0.00 0.00 57.97 61.71 1k82 h PHE 176 Cb 1.17 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 40.18 1k82 h PHE 176 CO 0.06 -0.47 0.60 0.00 -2.23 0.00 0.00 178.31 176.27 1k82 h ALA 177 N -0.28 2.63 -0.01 2.41 0.00 -1.18 0.20 119.26 123.03 1k82 h ALA 177 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1k82 h ALA 177 Cb 0.63 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1k82 h ALA 177 CO 0.02 -0.99 -0.43 0.00 0.00 0.00 0.00 179.25 177.86 1k82 n ALA 178 N -2.59 3.45 -1.75 0.00 0.00 -0.78 -4.95 120.51 113.90 1k82 n ALA 178 Ca 0.15 -0.58 -0.07 0.00 0.00 0.00 0.00 53.44 52.94 1k82 n ALA 178 Cb 0.88 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 19.42 1k82 n ALA 178 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k82 n GLY 179 N 1.40 0.44 3.26 0.00 0.00 0.70 -4.96 105.19 106.03 1k82 n GLY 179 Ca 0.10 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 1k82 n GLY 179 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k82 s ILE 180 N -2.33 2.62 0.19 -0.61 1.01 -0.55 -1.24 121.20 120.28 1k82 s ILE 180 Ca 0.00 -0.79 -0.32 0.00 0.00 0.00 0.00 60.65 59.54 1k82 s ILE 180 Cb 0.00 -2.10 -0.12 0.00 0.01 0.00 0.00 42.46 40.26 1k82 s ILE 180 CO 0.00 0.52 1.75 1.57 0.00 0.00 0.00 174.94 178.78 1k82 n HIS 181 N 4.00 2.71 0.33 3.97 -0.00 -1.26 -4.50 115.22 120.47 1k82 n HIS 181 Ca -0.19 0.00 0.22 0.00 -0.00 0.00 0.00 57.72 57.75 1k82 n HIS 181 Cb 0.52 -2.68 1.14 0.00 -0.00 0.00 0.00 29.99 28.96 1k82 n HIS 181 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1k82 h PRO 182 N 7.17 0.00 -0.01 1.57 0.13 -1.94 -1.17 132.00 137.76 1k82 h PRO 182 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1k82 h PRO 182 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1k82 h PRO 182 CO 0.95 0.00 -0.12 -0.25 -0.23 0.00 0.00 178.00 178.35 1k82 n ASP 183 N -3.05 0.81 -4.73 1.44 8.00 -1.26 -2.80 116.55 114.95 1k82 n ASP 183 Ca -0.02 -0.89 -0.42 0.00 0.71 0.00 0.00 54.79 54.17 1k82 n ASP 183 Cb 0.10 0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.19 1k82 n ASP 183 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1k82 n ARG 184 N -0.64 2.54 -1.88 -1.24 5.12 -0.45 -4.71 116.66 115.41 1k82 n ARG 184 Ca 0.15 0.90 -0.42 0.00 -1.93 0.00 0.00 57.85 56.56 1k82 n ARG 184 Cb 0.30 -2.63 -0.03 0.00 -1.16 0.00 0.00 32.46 28.94 1k82 n ARG 184 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1k82 s LEU 185 N -0.73 4.37 0.28 0.55 1.43 -1.26 -0.41 118.68 122.90 1k82 s LEU 185 Ca 0.62 2.74 0.01 0.00 -1.03 0.00 0.00 54.13 56.46 1k82 s LEU 185 Cb -0.52 -3.61 0.65 0.00 0.03 0.00 0.00 46.19 42.74 1k82 s LEU 185 CO 0.53 -0.85 1.69 0.00 0.23 0.00 0.00 176.35 177.95 1k82 h ALA 186 N 6.17 1.28 0.00 4.21 0.00 -1.53 -0.50 119.26 128.90 1k82 h ALA 186 Ca -0.44 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1k82 h ALA 186 Cb 1.21 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1k82 h ALA 186 CO 0.88 -0.34 0.00 0.66 0.00 0.00 0.00 179.25 180.45 1k82 h SER 187 N 0.35 0.00 0.93 0.00 4.64 -1.76 -2.20 113.55 115.51 1k82 h SER 187 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1k82 h SER 187 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1k82 h SER 187 CO -0.53 0.00 -0.56 -1.54 -0.87 0.00 0.00 176.83 173.33 1k82 n SER 188 N -2.39 0.72 -4.77 4.97 3.41 -0.20 -4.84 113.62 110.52 1k82 n SER 188 Ca 0.01 0.17 -0.39 0.00 -0.26 0.00 0.00 58.87 58.40 1k82 n SER 188 Cb 0.21 0.06 -0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1k82 n SER 188 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1k82 s LEU 189 N -4.28 4.17 0.72 1.04 1.43 -0.83 -4.99 118.68 115.95 1k82 s LEU 189 Ca 0.07 2.65 -0.09 0.00 -1.03 0.00 0.00 54.13 55.72 1k82 s LEU 189 Cb 0.13 -3.95 0.05 0.00 0.03 0.00 0.00 46.19 42.45 1k82 s LEU 189 CO 0.71 -0.91 1.07 -0.94 0.23 0.00 0.00 176.35 176.51 1k82 s SER 190 N -0.79 4.96 0.22 2.29 1.04 -1.26 -4.84 113.70 115.33 1k82 s SER 190 Ca 0.58 0.74 -0.08 0.00 0.48 0.00 0.00 55.95 57.68 1k82 s SER 190 Cb -0.38 -1.42 0.27 0.00 0.10 0.00 0.00 66.02 64.59 1k82 s SER 190 CO 0.48 -1.57 1.81 0.25 0.98 0.00 0.00 173.24 175.20 1k82 h LEU 191 N -0.70 0.61 -0.81 2.42 5.85 -1.94 0.35 115.31 121.09 1k82 h LEU 191 Ca -0.45 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1k82 h LEU 191 Cb 1.30 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 1k82 h LEU 191 CO 0.63 0.39 0.51 0.00 -0.34 0.00 0.00 178.44 179.63 1k82 h ALA 192 N 1.37 1.03 -0.71 1.25 0.00 -1.96 0.70 119.26 120.94 1k82 h ALA 192 Ca 0.32 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1k82 h ALA 192 Cb 0.20 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1k82 h ALA 192 CO -0.19 0.47 0.18 0.93 0.00 0.00 0.00 179.25 180.64 1k82 h GLU 193 N 1.11 1.14 -0.36 0.00 5.08 -1.73 -0.14 114.58 119.67 1k82 h GLU 193 Ca 0.29 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1k82 h GLU 193 Cb -0.09 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 1k82 h GLU 193 CO -0.06 1.00 -0.02 0.00 -1.00 0.00 0.00 179.01 178.93 1k82 h GLU 195 N 0.47 0.94 -0.17 0.00 5.08 0.51 -1.41 114.58 119.99 1k82 h GLU 195 Ca 0.10 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1k82 h GLU 195 Cb 0.49 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1k82 h GLU 195 CO 0.02 0.62 -0.13 1.25 -1.00 0.00 0.00 179.01 179.77 1k82 h LEU 196 N 0.96 0.41 -0.61 1.33 5.85 -0.68 -2.43 115.31 120.14 1k82 h LEU 196 Ca 0.33 -0.46 0.05 0.00 0.84 0.00 0.00 57.88 58.64 1k82 h LEU 196 Cb 0.05 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 1k82 h LEU 196 CO -0.13 0.78 0.33 0.25 -0.34 0.00 0.00 178.44 179.33 1k82 h LEU 197 N 0.04 0.48 -0.72 2.25 5.85 -0.37 0.11 115.31 122.94 1k82 h LEU 197 Ca 0.03 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1k82 h LEU 197 Cb 0.65 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1k82 h LEU 197 CO 0.03 0.32 0.24 0.00 -0.34 0.00 0.00 178.44 178.69 1k82 h ALA 198 N 1.32 0.94 -0.41 1.25 0.00 -1.29 -1.40 119.26 119.67 1k82 h ALA 198 Ca 0.27 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1k82 h ALA 198 Cb 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1k82 h ALA 198 CO -0.18 0.61 -0.01 0.00 0.00 0.00 0.00 179.25 179.68 1k82 h ARG 199 N 1.06 0.74 -0.43 0.00 3.08 -0.80 -2.28 114.38 115.75 1k82 h ARG 199 Ca 0.23 -0.24 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 1k82 h ARG 199 Cb 0.29 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1k82 h ARG 199 CO -0.01 0.82 -0.15 -0.39 -1.07 0.00 0.00 179.97 179.17 1k82 h VAL 200 N 0.57 1.26 -0.79 2.04 -1.51 -0.74 -1.79 116.25 115.30 1k82 h VAL 200 Ca 0.12 -1.25 0.09 0.00 -1.23 0.00 0.00 66.70 64.43 1k82 h VAL 200 Cb 0.50 1.10 -0.07 0.00 -2.13 0.00 0.00 31.29 30.68 1k82 h VAL 200 CO 0.02 0.43 0.44 0.40 -1.23 0.00 0.00 177.57 177.63 1k82 h ILE 201 N 0.72 0.91 -0.09 7.19 2.04 -1.15 0.47 117.51 127.60 1k82 h ILE 201 Ca 0.11 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1k82 h ILE 201 Cb 0.66 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1k82 h ILE 201 CO 0.05 0.14 0.05 0.11 0.00 0.00 0.00 178.15 178.50 1k82 h LYS 202 N 0.75 0.13 -0.49 2.37 1.57 -1.01 -1.81 116.57 118.08 1k82 h LYS 202 Ca 0.38 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 59.10 1k82 h LYS 202 Cb 0.34 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1k82 h LYS 202 CO -0.24 0.14 0.12 0.00 -0.57 0.00 0.00 179.45 178.90 1k82 h ALA 203 N 0.98 0.64 -0.38 3.86 0.00 -0.46 -1.47 119.26 122.43 1k82 h ALA 203 Ca 0.03 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1k82 h ALA 203 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1k82 h ALA 203 CO -0.01 0.33 0.24 0.28 0.00 0.00 0.00 179.25 180.09 1k82 h VAL 204 N 0.66 1.07 -0.11 0.00 2.07 0.02 0.16 116.25 120.12 1k82 h VAL 204 Ca 0.15 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1k82 h VAL 204 Cb 0.32 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1k82 h VAL 204 CO 0.00 0.09 0.03 -0.07 0.02 0.00 0.00 177.57 177.64 1k82 h LEU 205 N 0.49 0.17 -1.25 2.57 3.38 -1.19 -1.02 115.31 118.46 1k82 h LEU 205 Ca 0.14 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1k82 h LEU 205 Cb -0.03 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1k82 h LEU 205 CO -0.05 0.35 0.52 -0.07 0.09 0.00 0.00 178.44 179.28 1k82 h LEU 206 N -0.02 0.85 0.20 1.67 3.38 -1.07 0.18 115.31 120.50 1k82 h LEU 206 Ca 0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1k82 h LEU 206 Cb 0.24 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1k82 h LEU 206 CO -0.00 0.59 -0.12 -0.09 0.09 0.00 0.00 178.44 178.91 1k82 h ARG 207 N 0.99 -0.30 -0.85 1.13 1.12 -0.38 -0.57 114.38 115.52 1k82 h ARG 207 Ca 0.30 0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 59.18 1k82 h ARG 207 Cb -0.00 0.07 -0.04 0.00 -0.01 0.00 0.00 29.97 29.98 1k82 h ARG 207 CO -0.08 -0.20 0.46 1.03 -3.11 0.00 0.00 179.97 178.06 1k82 h SER 208 N -0.31 1.07 -0.63 -3.80 0.87 -0.26 -0.96 113.55 109.53 1k82 h SER 208 Ca -0.02 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1k82 h SER 208 Cb 0.26 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 1k82 h SER 208 CO 0.02 0.87 0.41 0.40 -0.53 0.00 0.00 176.83 178.00 1k82 h ILE 209 N 1.20 1.17 -0.84 2.23 2.04 -0.51 0.22 117.51 123.01 1k82 h ILE 209 Ca 0.30 -0.33 0.18 0.00 1.00 0.00 0.00 64.86 66.02 1k82 h ILE 209 Cb 0.04 0.26 -0.06 0.00 -0.74 0.00 0.00 36.82 36.32 1k82 h ILE 209 CO -0.05 0.17 0.56 -0.08 0.00 0.00 0.00 178.15 178.75 1k82 h GLU 210 N 0.85 0.38 -0.34 2.37 4.57 0.26 -2.02 114.58 120.65 1k82 h GLU 210 Ca 0.23 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1k82 h GLU 210 Cb -0.08 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 1k82 h GLU 210 CO -0.05 0.25 0.00 1.04 -1.18 0.00 0.00 179.01 179.08 1k82 n GLN 211 N -4.49 3.42 -0.79 1.92 6.02 -0.74 -4.95 117.38 117.77 1k82 n GLN 211 Ca 0.17 -2.92 0.00 0.00 -0.01 0.00 0.00 57.00 54.24 1k82 n GLN 211 Cb 0.64 -1.95 0.00 0.00 1.02 0.00 0.00 30.24 29.95 1k82 n GLN 211 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1k82 n GLY 212 N -0.21 0.57 0.00 1.08 0.00 -0.76 -0.90 105.19 104.96 1k82 n GLY 212 Ca 0.23 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1k82 n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k82 n GLY 213 N -2.79 -1.12 3.68 -0.02 0.00 0.68 -3.44 105.19 102.19 1k82 n GLY 213 Ca 0.00 -1.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.05 1k82 n GLY 213 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k82 s THR 214 N -1.34 5.08 -0.25 2.61 2.01 -1.26 -2.80 115.64 119.69 1k82 s THR 214 Ca 0.00 0.07 -0.06 0.00 0.31 0.00 0.00 61.69 62.01 1k82 s THR 214 Cb 0.00 -3.30 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 1k82 s THR 214 CO 0.00 0.46 0.05 -0.89 -0.69 0.00 0.00 174.62 173.54 1k82 s THR 215 N 0.31 4.05 -1.27 -0.82 2.01 -1.26 -4.88 115.64 113.78 1k82 s THR 215 Ca 0.06 -0.31 0.12 0.00 0.31 0.00 0.00 61.69 61.86 1k82 s THR 215 Cb -0.12 -2.91 0.47 0.00 0.01 0.00 0.00 72.50 69.96 1k82 s THR 215 CO -0.01 0.33 1.33 0.18 -0.69 0.00 0.00 174.62 175.75 1k82 n LEU 216 N 4.89 3.29 -4.61 4.42 4.77 -1.26 -4.88 117.00 123.62 1k82 n LEU 216 Ca -0.16 -1.66 -0.36 0.00 -0.03 0.00 0.00 56.01 53.80 1k82 n LEU 216 Cb 0.51 -0.47 0.08 0.00 -2.33 0.00 0.00 43.42 41.21 1k82 n LEU 216 CO 0.30 0.56 0.52 1.17 -1.33 0.00 0.00 177.39 178.62 1k82 n LYS 225 N 0.65 0.56 0.00 3.23 0.00 -1.26 -5.20 118.16 116.14 1k82 n LYS 225 Ca 0.17 0.24 0.00 0.00 0.00 0.00 0.00 58.31 58.72 1k82 n LYS 225 Cb 0.63 -2.20 0.00 0.00 0.00 0.00 0.00 35.03 33.45 1k82 n LYS 225 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1k82 n PRO 226 N -1.70 0.33 -4.09 1.64 -0.02 -1.26 -5.06 135.00 124.84 1k82 n PRO 226 Ca 0.13 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.35 1k82 n PRO 226 Cb 0.49 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.91 1k82 n PRO 226 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1k82 s GLY 227 N -1.35 1.72 -0.16 -1.23 0.00 -1.22 -4.93 107.32 100.15 1k82 s GLY 227 Ca 0.00 -1.22 0.13 0.00 0.00 0.00 0.00 44.72 43.62 1k82 s GLY 227 CO 0.00 -1.23 1.52 -1.72 0.00 0.00 0.00 173.10 171.67 1k82 n TYR 228 N -0.31 1.58 0.30 1.90 0.53 -0.08 -4.27 117.16 116.80 1k82 n TYR 228 Ca -0.08 -0.57 0.13 0.00 -1.02 0.00 0.00 57.90 56.36 1k82 n TYR 228 Cb 0.55 -0.37 0.27 0.00 -1.03 0.00 0.00 39.34 38.76 1k82 n TYR 228 CO 0.00 0.00 0.00 0.35 -1.02 0.00 0.00 176.86 176.19 1k82 h PHE 229 N 3.35 0.00 -0.22 -0.72 3.57 -1.63 -3.05 116.94 118.25 1k82 h PHE 229 Ca 0.00 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1k82 h PHE 229 Cb 1.58 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.31 1k82 h PHE 229 CO 0.83 0.00 0.16 0.00 -2.23 0.00 0.00 178.31 177.06 1k82 h ALA 230 N 2.10 2.18 0.00 2.41 0.00 -1.77 0.10 119.26 124.29 1k82 h ALA 230 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1k82 h ALA 230 Cb 0.89 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1k82 h ALA 230 CO 0.00 -0.27 0.00 -0.56 0.00 0.00 0.00 179.25 178.42 1k82 h GLN 231 N 0.00 0.00 -0.08 0.00 3.07 -1.88 -2.83 115.11 113.39 1k82 h GLN 231 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.84 1k82 h GLN 231 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.98 1k82 h GLN 231 CO -0.00 0.00 0.00 0.39 0.09 0.00 0.00 178.83 179.31 1k82 n GLU 232 N -2.77 1.89 -2.08 0.06 1.02 0.33 -4.94 120.64 114.15 1k82 n GLU 232 Ca 0.03 -1.31 -0.41 0.00 -0.02 0.00 0.00 57.16 55.45 1k82 n GLU 232 Cb 0.39 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.33 1k82 n GLU 232 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1k82 s LEU 233 N -1.86 4.40 -0.07 -4.62 1.43 -1.07 -4.92 118.68 111.97 1k82 s LEU 233 Ca 0.35 2.58 0.08 0.00 -1.03 0.00 0.00 54.13 56.11 1k82 s LEU 233 Cb 0.20 -3.62 -0.24 0.00 0.03 0.00 0.00 46.19 42.56 1k82 s LEU 233 CO 0.31 -0.64 0.56 0.00 0.23 0.00 0.00 176.35 176.81 1k82 n GLN 234 N 2.36 0.66 0.00 1.70 1.13 -1.26 -4.84 117.38 117.14 1k82 n GLN 234 Ca 0.06 0.28 0.00 0.00 -1.94 0.00 0.00 57.00 55.40 1k82 n GLN 234 Cb 0.41 -1.76 0.00 0.00 0.11 0.00 0.00 30.24 29.00 1k82 n GLN 234 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 1k82 n VAL 235 N -3.14 0.00 -1.70 5.09 0.24 -1.26 -4.65 118.33 112.90 1k82 n VAL 235 Ca -0.21 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.66 1k82 n VAL 235 Cb 1.05 -0.14 -0.03 0.00 -1.47 0.00 0.00 33.84 33.25 1k82 n VAL 235 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k82 n TYR 236 N -1.77 2.67 -1.79 6.34 9.36 -1.26 -1.74 117.16 128.96 1k82 n TYR 236 Ca 0.00 -0.01 -0.13 0.00 3.32 0.00 0.00 57.90 61.08 1k82 n TYR 236 Cb 0.13 -2.68 -0.03 0.00 -0.63 0.00 0.00 39.34 36.12 1k82 n TYR 236 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1k82 n GLY 237 N 4.02 0.63 1.68 2.98 0.00 -1.26 -4.92 105.19 108.33 1k82 n GLY 237 Ca 0.17 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 1k82 n GLY 237 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k82 n ARG 238 N -2.44 2.55 -1.61 1.61 1.74 -0.71 -5.05 116.66 112.74 1k82 n ARG 238 Ca -0.14 -3.69 -0.50 0.00 -0.77 0.00 0.00 57.85 52.75 1k82 n ARG 238 Cb 0.52 -1.85 -0.05 0.00 -1.02 0.00 0.00 32.46 30.06 1k82 n ARG 238 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1k82 n LYS 239 N -0.73 1.47 0.00 5.56 4.81 -1.26 -1.24 118.16 126.77 1k82 n LYS 239 Ca 0.29 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 1k82 n LYS 239 Cb 0.88 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 33.73 1k82 n LYS 239 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1k82 n GLY 240 N 2.73 2.84 3.79 3.14 0.00 0.22 -4.90 105.19 113.00 1k82 n GLY 240 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1k82 n GLY 240 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k82 s GLU 241 N 0.00 3.05 0.23 1.61 2.02 -0.37 -4.18 118.70 121.06 1k82 s GLU 241 Ca 0.00 1.28 -0.30 0.00 0.02 0.00 0.00 54.97 55.98 1k82 s GLU 241 Cb 0.00 -1.99 -0.09 0.00 0.10 0.00 0.00 34.13 32.15 1k82 s GLU 241 CO 0.00 -1.03 1.17 -1.25 0.02 0.00 0.00 175.26 174.16 1k82 s PRO 242 N -4.12 4.54 0.25 0.39 0.04 -1.26 0.19 135.00 135.02 1k82 s PRO 242 Ca 0.65 1.88 -0.31 0.00 0.04 0.00 0.00 61.00 63.26 1k82 s PRO 242 Cb -0.18 -3.21 -0.13 0.00 0.04 0.00 0.00 34.50 31.02 1k82 s PRO 242 CO 0.40 0.02 1.40 0.00 0.04 0.00 0.00 177.00 178.86 1k82 n ARG 244 N 1.91 0.08 -0.08 0.00 1.74 -1.26 -0.97 116.66 118.07 1k82 n ARG 244 Ca 0.11 0.42 -0.11 0.00 -0.77 0.00 0.00 57.85 57.50 1k82 n ARG 244 Cb 0.32 -1.69 -0.08 0.00 -1.02 0.00 0.00 32.46 29.99 1k82 n ARG 244 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1k82 n VAL 245 N -1.85 0.97 -0.17 1.55 0.31 -1.26 -4.84 118.33 113.04 1k82 n VAL 245 Ca 0.02 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 1k82 n VAL 245 Cb 0.13 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 1k82 n VAL 245 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1k82 n GLY 247 N 0.14 2.82 3.72 0.00 0.00 -0.15 -4.91 105.19 106.81 1k82 n GLY 247 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1k82 n GLY 247 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k82 s THR 248 N -1.16 2.27 0.19 2.61 2.01 -1.26 -3.52 115.64 116.78 1k82 s THR 248 Ca 0.00 0.18 -0.33 0.00 0.31 0.00 0.00 61.69 61.85 1k82 s THR 248 Cb 0.00 -3.11 -0.13 0.00 0.01 0.00 0.00 72.50 69.27 1k82 s THR 248 CO 0.00 0.01 1.64 -2.65 -0.69 0.00 0.00 174.62 172.94 1k82 n PRO 249 N 4.05 2.47 -1.69 4.92 -0.02 -1.26 0.09 135.00 143.56 1k82 n PRO 249 Ca 0.15 0.89 -0.44 0.00 -2.02 0.00 0.00 63.50 62.08 1k82 n PRO 249 Cb 0.36 -2.69 -0.02 0.00 -0.02 0.00 0.00 33.50 31.13 1k82 n PRO 249 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1k82 n ILE 250 N 3.59 1.07 -3.76 4.25 2.08 0.50 -4.72 119.36 122.38 1k82 n ILE 250 Ca 0.16 -0.27 -0.34 0.00 0.56 0.00 0.00 62.75 62.87 1k82 n ILE 250 Cb 0.32 -1.59 -0.05 0.00 -0.75 0.00 0.00 39.64 37.57 1k82 n ILE 250 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1k82 s VAL 251 N -0.15 5.28 -0.07 1.39 1.01 0.13 0.68 120.40 128.68 1k82 s VAL 251 Ca 0.66 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.72 1k82 s VAL 251 Cb -0.61 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1k82 s VAL 251 CO 0.51 0.27 -0.06 0.00 0.00 0.00 0.00 175.10 175.82 1k82 s ALA 252 N -1.40 3.02 0.00 5.51 0.00 -1.26 -1.47 121.76 126.15 1k82 s ALA 252 Ca 0.31 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1k82 s ALA 252 Cb -0.13 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.74 1k82 s ALA 252 CO 0.19 0.58 0.00 -2.37 0.00 0.00 0.00 175.76 174.16 1k82 n THR 253 N 2.17 0.00 -3.81 0.00 5.66 0.18 -4.98 114.28 113.50 1k82 n THR 253 Ca -0.18 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.70 1k82 n THR 253 Cb 0.53 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.20 1k82 n THR 253 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1k82 s LYS 254 N -1.34 0.39 -0.08 1.09 1.02 -1.26 -0.34 119.74 119.22 1k82 s LYS 254 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 55.97 56.03 1k82 s LYS 254 Cb 0.00 0.17 0.02 0.00 -0.52 0.00 0.00 37.83 37.51 1k82 s LYS 254 CO 0.00 -0.08 -0.06 -1.01 -0.92 0.00 0.00 175.35 173.29 1k82 s HIS 255 N -0.51 1.11 -1.42 3.18 3.76 -0.52 -4.79 115.29 116.11 1k82 s HIS 255 Ca -0.06 -0.44 -0.04 0.00 -0.15 0.00 0.00 55.06 54.37 1k82 s HIS 255 Cb -0.04 -0.97 0.02 0.00 1.11 0.00 0.00 32.58 32.70 1k82 s HIS 255 CO 0.01 -0.36 0.33 0.00 -0.85 0.00 0.00 174.74 173.88 1k82 n ALA 256 N 4.60 -0.89 -1.15 -1.40 0.00 -1.26 -0.48 120.51 119.93 1k82 n ALA 256 Ca -0.16 0.17 -0.05 0.00 0.00 0.00 0.00 53.44 53.40 1k82 n ALA 256 Cb 0.50 -2.76 -0.02 0.00 0.00 0.00 0.00 19.45 17.17 1k82 n ALA 256 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1k82 n GLN 257 N -3.49 -1.28 -4.00 0.00 6.02 -1.26 -4.99 117.38 108.38 1k82 n GLN 257 Ca -0.12 0.59 -0.36 0.00 -0.01 0.00 0.00 57.00 57.10 1k82 n GLN 257 Cb 0.61 -4.67 -0.08 0.00 1.02 0.00 0.00 30.24 27.12 1k82 n GLN 257 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1k82 s ARG 258 N -2.05 3.59 0.27 -1.09 1.81 0.37 -5.07 118.95 116.78 1k82 s ARG 258 Ca 0.00 -0.26 -0.30 0.00 -1.72 0.00 0.00 55.73 53.46 1k82 s ARG 258 Cb 0.00 -3.14 -0.10 0.00 -0.45 0.00 0.00 34.95 31.25 1k82 s ARG 258 CO 0.00 0.56 1.43 0.00 -0.68 0.00 0.00 175.30 176.61 1k82 s ALA 259 N -0.43 3.61 0.02 2.13 0.00 -1.26 -1.44 121.76 124.39 1k82 s ALA 259 Ca 0.10 1.35 0.04 0.00 0.00 0.00 0.00 51.96 53.45 1k82 s ALA 259 Cb -0.12 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 1k82 s ALA 259 CO 0.02 -0.76 -0.12 0.95 0.00 0.00 0.00 175.76 175.85 1k82 s THR 260 N -0.26 0.95 -0.02 0.00 -4.23 0.53 -4.88 115.64 107.73 1k82 s THR 260 Ca 0.57 -0.80 0.05 0.00 -1.18 0.00 0.00 61.69 60.33 1k82 s THR 260 Cb -0.42 -0.85 -0.01 0.00 1.34 0.00 0.00 72.50 72.56 1k82 s THR 260 CO 0.46 0.05 -0.18 -0.36 -0.54 0.00 0.00 174.62 174.05 1k82 s PHE 261 N -0.68 1.62 0.33 3.99 0.08 -1.26 0.52 117.98 122.58 1k82 s PHE 261 Ca 0.01 -0.33 -0.18 0.00 0.12 0.00 0.00 56.93 56.55 1k82 s PHE 261 Cb -0.07 -1.05 0.04 0.00 -0.57 0.00 0.00 43.02 41.37 1k82 s PHE 261 CO 0.01 -0.05 0.76 1.52 -0.10 0.00 0.00 175.22 177.35 1k82 s TYR 262 N -0.35 -0.03 -0.34 0.36 1.13 -0.54 -4.79 117.35 112.78 1k82 s TYR 262 Ca 0.05 -0.54 -0.06 0.00 -1.41 0.00 0.00 57.07 55.12 1k82 s TYR 262 Cb -0.08 0.78 0.05 0.00 -1.10 0.00 0.00 41.96 41.61 1k82 s TYR 262 CO -0.00 -1.41 0.11 0.00 -2.51 0.00 0.00 175.55 171.73 1k82 h ARG 264 N 8.19 0.00 0.03 0.00 0.11 -1.87 0.18 114.38 121.01 1k82 h ARG 264 Ca -0.22 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.61 1k82 h ARG 264 Cb 1.08 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.13 1k82 h ARG 264 CO 0.61 0.00 -1.37 0.37 0.10 0.00 0.00 179.97 179.68 1k82 h GLN 265 N 0.00 0.07 0.00 0.08 4.15 -1.95 -3.38 115.11 114.08 1k82 h GLN 265 Ca 0.00 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.30 1k82 h GLN 265 Cb 0.10 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.83 1k82 h GLN 265 CO 0.00 1.06 0.00 0.00 -1.93 0.00 0.00 178.83 177.96 1k82 s GLN 267 N -3.22 3.58 0.00 0.00 -0.21 0.58 -4.51 119.66 115.88 1k82 s GLN 267 Ca 0.07 -0.42 0.00 0.00 0.02 0.00 0.00 55.36 55.03 1k82 s GLN 267 Cb 0.06 -2.99 0.00 0.00 1.00 0.00 0.00 33.01 31.08 1k82 s GLN 267 CO 0.66 0.39 0.00 1.63 -2.12 0.00 0.00 175.29 175.85