#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 1.66 0.03 -0.52 1.02 -1.26 -4.85 120.64 116.71 1k82 n GLU 2 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 1k82 n GLU 2 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 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 -0.40 -0.85 -4.62 6.46 -1.75 0.14 115.31 114.29 1k82 h LEU 3 Ca 0.00 0.07 0.15 0.00 -0.12 0.00 0.00 57.88 57.98 1k82 h LEU 3 Cb 0.00 0.18 -0.10 0.00 -0.73 0.00 0.00 40.66 40.02 1k82 h LEU 3 CO 0.00 -0.18 0.42 -0.65 -0.62 0.00 0.00 178.44 177.41 1k82 h PRO 4 N -0.19 0.56 -0.29 5.25 0.11 -1.87 0.59 132.00 136.17 1k82 h PRO 4 Ca 0.07 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.00 1k82 h PRO 4 Cb 0.29 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.27 1k82 h PRO 4 CO -0.18 0.37 -0.37 0.93 -0.21 0.00 0.00 178.00 178.55 1k82 h GLU 5 N 0.58 0.75 -0.44 1.05 3.07 -1.63 -0.05 114.58 117.92 1k82 h GLU 5 Ca 0.47 -0.43 -0.10 0.00 -0.50 0.00 0.00 59.36 58.81 1k82 h GLU 5 Cb 0.70 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.62 1k82 h GLU 5 CO -0.39 1.05 -0.11 0.28 -1.40 0.00 0.00 179.01 178.44 1k82 h VAL 6 N 0.50 1.26 -0.29 3.13 2.07 -0.30 -0.67 116.25 121.94 1k82 h VAL 6 Ca 0.03 -1.19 -0.09 0.00 0.82 0.00 0.00 66.70 66.28 1k82 h VAL 6 Cb 0.96 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1k82 h VAL 6 CO 0.09 0.41 -0.19 -0.08 0.02 0.00 0.00 177.57 177.82 1k82 h GLU 7 N 0.72 0.53 -0.54 1.57 4.57 0.32 -2.06 114.58 119.69 1k82 h GLU 7 Ca 0.12 -0.18 -0.07 0.00 -1.18 0.00 0.00 59.36 58.05 1k82 h GLU 7 Cb 0.60 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 1k82 h GLU 7 CO 0.04 0.70 0.08 1.15 -1.18 0.00 0.00 179.01 179.79 1k82 h THR 8 N 0.48 1.26 -0.45 0.32 2.02 -0.38 -2.40 112.91 113.76 1k82 h THR 8 Ca 0.08 -0.98 -0.05 0.00 0.77 0.00 0.00 66.41 66.23 1k82 h THR 8 Cb 0.60 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1k82 h THR 8 CO 0.04 0.35 0.07 0.28 0.37 0.00 0.00 175.52 176.64 1k82 h SER 9 N 0.79 0.65 -0.33 4.18 0.02 -0.80 -1.49 113.55 116.55 1k82 h SER 9 Ca 0.16 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 1k82 h SER 9 Cb 0.42 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1k82 h SER 9 CO 0.01 0.67 0.01 -0.09 -1.14 0.00 0.00 176.83 176.29 1k82 h ARG 10 N 0.67 0.58 -0.16 3.45 2.43 -1.17 -1.30 114.38 118.88 1k82 h ARG 10 Ca 0.15 -0.18 -0.11 0.00 -0.81 0.00 0.00 59.98 59.02 1k82 h ARG 10 Cb 0.31 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1k82 h ARG 10 CO 0.00 0.70 -0.40 0.00 -1.51 0.00 0.00 179.97 178.77 1k82 h ARG 11 N 0.39 0.35 -0.09 0.20 3.08 -1.36 -0.69 114.38 116.26 1k82 h ARG 11 Ca 0.10 -0.17 -0.14 0.00 0.07 0.00 0.00 59.98 59.84 1k82 h ARG 11 Cb 0.43 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1k82 h ARG 11 CO 0.02 0.70 -0.56 0.78 -1.07 0.00 0.00 179.97 179.83 1k82 h GLY 12 N 1.16 0.31 0.64 0.04 0.00 -1.11 -3.30 103.07 100.81 1k82 h GLY 12 Ca 0.03 -0.36 -0.21 0.00 0.00 0.00 0.00 47.33 46.78 1k82 h GLY 12 CO 0.07 0.33 -1.75 0.29 0.00 0.00 0.00 176.54 175.47 1k82 n ILE 13 N -3.91 1.16 0.01 2.60 -5.35 -0.51 -4.52 119.36 108.85 1k82 n ILE 13 Ca -0.02 -0.72 -0.10 0.00 -0.27 0.00 0.00 62.75 61.63 1k82 n ILE 13 Cb 0.59 -0.64 -0.04 0.00 -1.74 0.00 0.00 39.64 37.82 1k82 n ILE 13 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1k82 h GLU 14 N 0.00 -0.37 0.00 6.28 4.81 -1.20 0.18 114.58 124.28 1k82 h GLU 14 Ca -0.25 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1k82 h GLU 14 Cb 1.74 0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.20 1k82 h GLU 14 CO 0.04 -0.25 0.00 -0.35 -0.73 0.00 0.00 179.01 177.73 1k82 n PRO 15 N -5.40 0.16 0.02 0.92 -0.04 -1.26 -1.74 135.00 127.66 1k82 n PRO 15 Ca -0.03 0.56 0.02 0.00 -0.04 0.00 0.00 63.50 64.01 1k82 n PRO 15 Cb 0.32 -1.92 -0.09 0.00 -0.04 0.00 0.00 33.50 31.76 1k82 n PRO 15 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1k82 n HIS 16 N -2.24 0.69 -0.07 0.54 8.25 -0.01 -4.56 115.22 117.81 1k82 n HIS 16 Ca -0.00 0.22 -0.09 0.00 -0.26 0.00 0.00 57.72 57.59 1k82 n HIS 16 Cb 0.10 -0.96 -0.09 0.00 1.12 0.00 0.00 29.99 30.16 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 -2.73 1.33 -4.70 2.41 4.77 -0.82 -4.73 117.00 112.54 1k82 n LEU 17 Ca -0.10 -0.04 -0.42 0.00 -0.03 0.00 0.00 56.01 55.41 1k82 n LEU 17 Cb 0.79 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.77 1k82 n LEU 17 CO 0.43 0.53 1.47 -0.69 -1.33 0.00 0.00 177.39 177.80 1k82 s VAL 18 N -2.33 2.44 0.00 4.08 1.01 -0.71 -0.45 120.40 124.44 1k82 s VAL 18 Ca -0.14 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1k82 s VAL 18 Cb 0.05 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1k82 s VAL 18 CO 0.48 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1k82 n GLY 19 N 4.21 1.68 4.01 4.51 0.00 -0.97 -4.95 105.19 113.68 1k82 n GLY 19 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.49 4.47 -0.03 4.61 0.00 0.40 -4.93 121.76 123.79 1k82 s ALA 20 Ca 0.00 -1.72 0.07 0.00 0.00 0.00 0.00 51.96 50.31 1k82 s ALA 20 Cb 0.00 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.44 1k82 s ALA 20 CO 0.00 -0.47 -0.24 0.99 0.00 0.00 0.00 175.76 176.04 1k82 s THR 21 N -2.48 2.23 -0.40 0.00 2.01 -1.26 -1.93 115.64 113.81 1k82 s THR 21 Ca 0.57 -1.03 -0.27 0.00 0.31 0.00 0.00 61.69 61.26 1k82 s THR 21 Cb -0.09 -1.80 0.02 0.00 0.01 0.00 0.00 72.50 70.64 1k82 s THR 21 CO 0.35 0.58 1.02 -0.63 -0.69 0.00 0.00 174.62 175.25 1k82 s ILE 22 N -0.54 4.45 0.02 1.82 1.01 0.17 -0.47 121.20 127.66 1k82 s ILE 22 Ca 0.08 1.27 -0.25 0.00 0.00 0.00 0.00 60.65 61.74 1k82 s ILE 22 Cb -0.11 -4.44 -0.18 0.00 0.01 0.00 0.00 42.46 37.74 1k82 s ILE 22 CO 0.00 -0.70 1.39 -0.07 0.00 0.00 0.00 174.94 175.56 1k82 h LEU 23 N 10.46 -0.14 -7.35 2.97 3.38 -1.24 0.73 115.31 124.13 1k82 h LEU 23 Ca -0.23 -0.25 0.30 0.00 0.09 0.00 0.00 57.88 57.80 1k82 h LEU 23 Cb 1.07 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.75 1k82 h LEU 23 CO 1.04 0.18 0.77 -1.38 0.09 0.00 0.00 178.44 179.14 1k82 s HIS 24 N -4.94 -0.05 0.14 1.13 -3.43 -1.24 -0.92 115.29 105.99 1k82 s HIS 24 Ca -0.15 -0.09 -0.01 0.00 -0.80 0.00 0.00 55.06 54.01 1k82 s HIS 24 Cb 0.03 0.57 -0.04 0.00 -1.43 0.00 0.00 32.58 31.70 1k82 s HIS 24 CO 0.63 -0.38 0.32 0.00 -2.00 0.00 0.00 174.74 173.30 1k82 s ALA 25 N -2.55 3.90 -0.21 -1.38 0.00 -1.26 -1.42 121.76 118.84 1k82 s ALA 25 Ca 0.15 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.30 1k82 s ALA 25 Cb 0.03 -1.94 0.03 0.00 0.00 0.00 0.00 23.12 21.25 1k82 s ALA 25 CO -0.02 0.60 -0.17 0.08 0.00 0.00 0.00 175.76 176.25 1k82 s VAL 26 N -1.71 2.14 -0.18 0.00 1.01 -0.56 -4.93 120.40 116.16 1k82 s VAL 26 Ca 0.37 -1.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 1k82 s VAL 26 Cb -0.12 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 1k82 s VAL 26 CO 0.28 0.36 -0.05 -0.69 0.00 0.00 0.00 175.10 175.00 1k82 s VAL 27 N 1.24 3.54 -0.26 2.92 1.01 -1.26 -0.82 120.40 126.76 1k82 s VAL 27 Ca 0.01 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.61 1k82 s VAL 27 Cb -0.15 -2.57 -0.11 0.00 0.00 0.00 0.00 36.38 33.55 1k82 s VAL 27 CO -0.10 0.46 0.30 0.54 0.00 0.00 0.00 175.10 176.30 1k82 n ARG 28 N 4.13 2.87 -3.31 2.72 1.74 -0.14 -4.88 116.66 119.79 1k82 n ARG 28 Ca -0.18 -0.03 -0.07 0.00 -0.77 0.00 0.00 57.85 56.81 1k82 n ARG 28 Cb 0.52 -1.00 -0.07 0.00 -1.02 0.00 0.00 32.46 30.89 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 -2.21 -0.08 0.00 0.55 3.84 -1.22 -5.03 114.94 110.80 1k82 s ASN 29 Ca 0.01 0.35 0.20 0.00 0.21 0.00 0.00 52.86 53.63 1k82 s ASN 29 Cb 0.06 1.32 0.55 0.00 -0.55 0.00 0.00 41.25 42.63 1k82 s ASN 29 CO 0.35 -0.29 1.45 0.61 -2.79 0.00 0.00 177.10 176.42 1k82 n GLY 30 N 5.38 1.07 3.37 1.21 0.00 -1.26 -4.68 105.19 110.27 1k82 n GLY 30 Ca -0.03 -0.56 -0.45 0.00 0.00 0.00 0.00 46.02 44.97 1k82 n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k82 s ARG 31 N -1.56 3.92 0.00 1.61 1.81 -1.26 -1.09 118.95 122.37 1k82 s ARG 31 Ca 0.35 -2.70 0.00 0.00 -1.72 0.00 0.00 55.73 51.66 1k82 s ARG 31 Cb 0.19 -4.63 0.00 0.00 -0.45 0.00 0.00 34.95 30.06 1k82 s ARG 31 CO 0.27 -1.40 0.00 1.28 -0.68 0.00 0.00 175.30 174.77 1k82 n LEU 32 N 4.02 0.00 -0.20 2.53 4.32 -1.26 -4.95 117.00 121.46 1k82 n LEU 32 Ca 0.22 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 56.20 1k82 n LEU 32 Cb 0.44 0.00 0.09 0.00 -1.62 0.00 0.00 43.42 42.32 1k82 n LEU 32 CO 0.45 0.00 1.03 -0.09 -1.22 0.00 0.00 177.39 177.56 1k82 h ARG 33 N 0.00 0.51 -6.08 3.23 2.43 -0.49 -3.41 114.38 110.57 1k82 h ARG 33 Ca 0.00 -0.03 -0.57 0.00 -0.81 0.00 0.00 59.98 58.56 1k82 h ARG 33 Cb 0.00 -0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 29.33 1k82 h ARG 33 CO 0.00 0.34 -0.62 -1.58 -1.51 0.00 0.00 179.97 176.60 1k82 s TRP 34 N -6.10 2.58 0.34 2.20 0.51 -1.26 -5.09 118.94 112.12 1k82 s TRP 34 Ca -0.13 -0.38 -0.29 0.00 -2.12 0.00 0.00 56.10 53.18 1k82 s TRP 34 Cb 0.16 -1.43 -0.11 0.00 -0.81 0.00 0.00 33.47 31.28 1k82 s TRP 34 CO 0.75 0.50 1.44 -2.14 -0.51 0.00 0.00 176.95 176.99 1k82 s PRO 35 N -3.72 4.20 0.18 4.98 0.02 -1.26 -4.73 135.00 134.67 1k82 s PRO 35 Ca 0.34 2.45 -0.33 0.00 0.02 0.00 0.00 61.00 63.48 1k82 s PRO 35 Cb -0.02 -3.02 -0.14 0.00 0.02 0.00 0.00 34.50 31.34 1k82 s PRO 35 CO 0.20 -0.43 1.40 0.28 -0.33 0.00 0.00 177.00 178.11 1k82 n VAL 36 N 0.91 0.51 -1.79 3.83 0.31 -0.25 -4.88 118.33 116.97 1k82 n VAL 36 Ca 0.02 -0.13 -0.39 0.00 -0.01 0.00 0.00 64.34 63.83 1k82 n VAL 36 Cb 0.40 -1.27 0.03 0.00 -0.91 0.00 0.00 33.84 32.08 1k82 n VAL 36 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1k82 s SER 37 N 0.45 5.56 0.20 4.52 0.01 -0.97 -4.90 113.70 118.57 1k82 s SER 37 Ca 0.75 2.85 -0.14 0.00 1.31 0.00 0.00 55.95 60.71 1k82 s SER 37 Cb -0.74 -2.64 0.20 0.00 0.21 0.00 0.00 66.02 63.04 1k82 s SER 37 CO 0.46 -1.38 1.64 -0.08 0.41 0.00 0.00 173.24 174.28 1k82 h GLU 38 N 1.88 -0.00 -0.04 12.44 4.57 -1.94 -2.02 114.58 129.47 1k82 h GLU 38 Ca -0.51 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 57.68 1k82 h GLU 38 Cb 1.28 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.87 1k82 h GLU 38 CO 0.59 -0.00 0.05 0.93 -1.18 0.00 0.00 179.01 179.40 1k82 h GLU 39 N -0.00 0.00 -0.44 1.92 3.07 -1.98 0.19 114.58 117.34 1k82 h GLU 39 Ca 0.28 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.99 1k82 h GLU 39 Cb 0.42 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 1k82 h GLU 39 CO -0.59 0.00 -0.28 0.82 -1.40 0.00 0.00 179.01 177.55 1k82 h ILE 40 N 0.00 1.27 -0.90 3.13 1.08 -1.73 -2.14 117.51 118.22 1k82 h ILE 40 Ca 0.02 -1.45 0.01 0.00 -0.39 0.00 0.00 64.86 63.05 1k82 h ILE 40 Cb 0.12 1.23 -0.04 0.00 -3.07 0.00 0.00 36.82 35.06 1k82 h ILE 40 CO -0.00 0.50 0.60 1.88 -0.69 0.00 0.00 178.15 180.43 1k82 h TYR 41 N 0.82 1.13 0.00 1.37 0.05 -0.68 -2.53 116.97 117.13 1k82 h TYR 41 Ca 0.09 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.90 1k82 h TYR 41 Cb 0.87 -0.38 0.00 0.00 1.01 0.00 0.00 36.73 38.23 1k82 h TYR 41 CO 0.06 0.71 0.00 0.54 -1.05 0.00 0.00 178.16 178.42 1k82 n ARG 42 N -4.46 0.41 -1.60 4.88 1.74 -0.95 -4.76 116.66 111.92 1k82 n ARG 42 Ca 0.10 0.00 -0.49 0.00 -0.77 0.00 0.00 57.85 56.69 1k82 n ARG 42 Cb 0.01 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 29.91 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 -1.29 1.95 -3.31 0.55 4.77 -0.82 -4.98 117.00 113.87 1k82 n LEU 43 Ca 0.14 1.13 -0.06 0.00 -0.03 0.00 0.00 56.01 57.19 1k82 n LEU 43 Cb 0.25 -1.26 -0.06 0.00 -2.33 0.00 0.00 43.42 40.01 1k82 n LEU 43 CO 0.23 -1.00 0.01 -0.55 -1.33 0.00 0.00 177.39 174.75 1k82 s SER 44 N 0.27 -0.22 -1.24 -1.43 0.15 -1.25 -4.32 113.70 105.66 1k82 s SER 44 Ca 0.76 0.44 -0.01 0.00 0.70 0.00 0.00 55.95 57.84 1k82 s SER 44 Cb -0.83 1.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 1k82 s SER 44 CO 0.49 -0.29 0.97 0.47 1.20 0.00 0.00 173.24 176.08 1k82 n ASP 45 N 5.38 -2.37 -4.58 5.45 8.00 0.23 -4.98 116.55 123.69 1k82 n ASP 45 Ca -0.03 -0.65 -0.36 0.00 0.71 0.00 0.00 54.79 54.46 1k82 n ASP 45 Cb 0.50 -4.91 -0.11 0.00 -0.02 0.00 0.00 41.12 36.58 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 -5.59 3.90 0.32 -1.24 -1.52 0.06 -4.78 119.66 110.81 1k82 s GLN 46 Ca 0.07 -0.36 -0.28 0.00 -1.95 0.00 0.00 55.36 52.84 1k82 s GLN 46 Cb -0.03 -3.41 -0.09 0.00 -0.22 0.00 0.00 33.01 29.26 1k82 s GLN 46 CO 0.75 0.00 1.12 -1.25 -0.25 0.00 0.00 175.29 175.66 1k82 s PRO 47 N 1.16 4.46 -0.25 2.91 0.04 -1.26 0.42 135.00 142.48 1k82 s PRO 47 Ca 0.06 1.80 -0.18 0.00 0.04 0.00 0.00 61.00 62.72 1k82 s PRO 47 Cb -0.14 -3.00 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 1k82 s PRO 47 CO 0.04 0.04 0.53 0.08 0.04 0.00 0.00 177.00 177.73 1k82 s VAL 48 N -1.27 5.07 -0.14 -0.36 1.01 -0.81 -4.23 120.40 119.66 1k82 s VAL 48 Ca 0.49 0.92 0.20 0.00 0.00 0.00 0.00 61.98 63.59 1k82 s VAL 48 Cb -0.31 -3.84 -0.16 0.00 0.00 0.00 0.00 36.38 32.07 1k82 s VAL 48 CO 0.40 0.10 0.73 0.18 0.00 0.00 0.00 175.10 176.51 1k82 n LEU 49 N 5.37 0.53 -3.51 3.92 4.77 0.64 -2.28 117.00 126.43 1k82 n LEU 49 Ca -0.04 0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 56.04 1k82 n LEU 49 Cb 0.50 0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.60 1k82 n LEU 49 CO 0.41 0.02 0.58 -0.55 -1.33 0.00 0.00 177.39 176.53 1k82 s SER 50 N -5.26 -0.49 -0.25 -1.43 0.15 -1.24 -4.85 113.70 100.33 1k82 s SER 50 Ca -0.04 0.31 -0.01 0.00 0.70 0.00 0.00 55.95 56.91 1k82 s SER 50 Cb 0.10 0.45 0.07 0.00 -1.71 0.00 0.00 66.02 64.94 1k82 s SER 50 CO 0.83 -0.61 0.03 -0.69 1.20 0.00 0.00 173.24 174.00 1k82 s VAL 51 N -2.19 1.02 0.51 4.45 1.01 -1.26 -1.58 120.40 122.37 1k82 s VAL 51 Ca -0.02 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 60.87 1k82 s VAL 51 Cb -0.01 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 1k82 s VAL 51 CO -0.02 -0.34 0.07 -1.10 0.00 0.00 0.00 175.10 173.71 1k82 s GLN 52 N 1.60 2.20 -0.00 2.72 -0.21 0.32 -4.94 119.66 121.35 1k82 s GLN 52 Ca 0.02 -2.33 0.02 0.00 0.02 0.00 0.00 55.36 53.09 1k82 s GLN 52 Cb -0.18 -1.63 -0.00 0.00 1.00 0.00 0.00 33.01 32.19 1k82 s GLN 52 CO -0.13 -0.39 -0.05 0.50 -2.12 0.00 0.00 175.29 173.10 1k82 s ARG 53 N -3.94 0.40 -0.11 2.91 3.52 -1.26 -0.40 118.95 120.07 1k82 s ARG 53 Ca 0.11 -0.21 -0.01 0.00 -0.13 0.00 0.00 55.73 55.50 1k82 s ARG 53 Cb 0.01 -0.38 0.03 0.00 -1.56 0.00 0.00 34.95 33.05 1k82 s ARG 53 CO 0.07 0.10 -0.04 0.50 -0.81 0.00 0.00 175.30 175.12 1k82 s ARG 54 N -0.20 1.15 5.56 5.12 6.06 -0.44 -4.98 118.95 131.22 1k82 s ARG 54 Ca 0.01 -0.15 0.00 0.00 -2.50 0.00 0.00 55.73 53.09 1k82 s ARG 54 Cb -0.02 -1.42 0.00 0.00 0.06 0.00 0.00 34.95 33.56 1k82 s ARG 54 CO -0.00 -0.31 0.00 0.00 -2.50 0.00 0.00 175.30 172.49 1k82 n ALA 55 N 5.02 0.00 -0.84 6.12 0.00 -1.26 -0.87 120.51 128.68 1k82 n ALA 55 Ca -0.10 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.41 1k82 n ALA 55 Cb 0.50 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.33 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 4.45 -3.92 0.00 5.02 -1.26 -4.81 118.16 131.65 1k82 n LYS 56 Ca 0.00 -3.07 -0.35 0.00 -2.02 0.00 0.00 58.31 52.87 1k82 n LYS 56 Cb 0.00 -2.14 -0.09 0.00 -0.02 0.00 0.00 35.03 32.78 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 -2.53 3.32 0.10 2.13 2.02 -0.05 -4.43 117.35 117.91 1k82 s TYR 57 Ca 0.53 0.18 -0.15 0.00 -0.37 0.00 0.00 57.07 57.25 1k82 s TYR 57 Cb 0.39 -2.09 -0.07 0.00 -0.40 0.00 0.00 41.96 39.79 1k82 s TYR 57 CO 0.18 0.23 0.53 -0.51 -1.57 0.00 0.00 175.55 174.40 1k82 s LEU 58 N 0.28 4.41 -0.19 -1.29 1.43 0.43 -1.33 118.68 122.42 1k82 s LEU 58 Ca 0.05 1.09 0.01 0.00 -1.03 0.00 0.00 54.13 54.26 1k82 s LEU 58 Cb -0.12 -3.06 0.04 0.00 0.03 0.00 0.00 46.19 43.08 1k82 s LEU 58 CO -0.00 0.18 -0.12 -0.76 0.23 0.00 0.00 176.35 175.88 1k82 s LEU 59 N -1.62 2.24 -0.32 1.79 1.43 0.46 -0.69 118.68 121.98 1k82 s LEU 59 Ca 0.33 -0.82 -0.12 0.00 -1.03 0.00 0.00 54.13 52.49 1k82 s LEU 59 Cb -0.16 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.75 1k82 s LEU 59 CO 0.18 -0.11 0.21 -0.76 0.23 0.00 0.00 176.35 176.10 1k82 s LEU 60 N 1.38 4.30 -0.37 1.79 1.43 -0.20 -0.52 118.68 126.49 1k82 s LEU 60 Ca 0.00 -0.29 -0.28 0.00 -1.03 0.00 0.00 54.13 52.53 1k82 s LEU 60 Cb -0.15 -2.12 0.02 0.00 0.03 0.00 0.00 46.19 43.97 1k82 s LEU 60 CO -0.09 -0.17 1.07 -0.70 0.23 0.00 0.00 176.35 176.69 1k82 s GLU 61 N 1.72 3.94 0.34 1.70 2.12 -0.62 -1.01 118.70 126.90 1k82 s GLU 61 Ca 0.06 0.85 0.07 0.00 0.36 0.00 0.00 54.97 56.32 1k82 s GLU 61 Cb -0.17 -3.79 -0.02 0.00 0.26 0.00 0.00 34.13 30.40 1k82 s GLU 61 CO 0.10 -1.04 0.32 -0.51 -0.54 0.00 0.00 175.26 173.60 1k82 s LEU 62 N 3.83 3.63 0.29 2.70 1.43 0.84 -0.26 118.68 131.14 1k82 s LEU 62 Ca 0.45 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 53.05 1k82 s LEU 62 Cb -0.11 -2.27 0.42 0.00 0.03 0.00 0.00 46.19 44.26 1k82 s LEU 62 CO 0.20 -0.39 1.95 -0.65 0.23 0.00 0.00 176.35 177.70 1k82 h PRO 63 N 1.18 1.12 -0.17 1.29 0.11 -1.97 -3.09 132.00 130.48 1k82 h PRO 63 Ca -0.45 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1k82 h PRO 63 Cb 1.26 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1k82 h PRO 63 CO 0.57 0.74 0.00 0.39 -0.21 0.00 0.00 178.00 179.50 1k82 n GLU 64 N -4.41 1.79 -3.19 1.05 -0.58 -1.26 -5.05 120.64 108.98 1k82 n GLU 64 Ca 0.10 -1.76 0.00 0.00 -0.42 0.00 0.00 57.16 55.08 1k82 n GLU 64 Cb 0.05 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 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 1.00 -1.05 3.04 0.62 0.00 -1.17 -4.71 105.19 102.93 1k82 n GLY 65 Ca 0.12 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 45.11 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 1.06 -0.24 1.61 0.52 -0.41 -0.11 118.94 118.37 1k82 s TRP 66 Ca 0.00 -0.24 -0.15 0.00 0.02 0.00 0.00 56.10 55.73 1k82 s TRP 66 Cb 0.00 -0.72 -0.04 0.00 -1.15 0.00 0.00 33.47 31.56 1k82 s TRP 66 CO 0.00 -0.07 0.36 0.42 0.02 0.00 0.00 176.95 177.68 1k82 s ILE 67 N -0.02 5.20 -0.28 2.03 1.01 -0.18 -1.89 121.20 127.07 1k82 s ILE 67 Ca 0.00 0.59 -0.10 0.00 0.00 0.00 0.00 60.65 61.14 1k82 s ILE 67 Cb -0.07 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 1k82 s ILE 67 CO 0.00 0.21 0.15 -0.63 0.00 0.00 0.00 174.94 174.67 1k82 s ILE 68 N 1.68 4.85 -0.10 2.92 1.01 0.38 -1.03 121.20 130.91 1k82 s ILE 68 Ca 0.16 -0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.76 1k82 s ILE 68 Cb -0.15 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 38.97 1k82 s ILE 68 CO 0.09 0.22 -0.20 -0.63 0.00 0.00 0.00 174.94 174.42 1k82 s ILE 69 N 1.68 2.45 -0.02 2.92 1.01 0.13 -0.84 121.20 128.53 1k82 s ILE 69 Ca 0.06 -0.89 0.07 0.00 0.00 0.00 0.00 60.65 59.89 1k82 s ILE 69 Cb -0.16 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 1k82 s ILE 69 CO 0.08 0.55 -0.23 -2.28 0.00 0.00 0.00 174.94 173.06 1k82 s HIS 70 N 0.14 2.09 -0.78 3.97 2.46 -0.28 -0.43 115.29 122.47 1k82 s HIS 70 Ca -0.10 -0.42 0.23 0.00 0.47 0.00 0.00 55.06 55.24 1k82 s HIS 70 Cb -0.16 -1.35 0.18 0.00 -0.13 0.00 0.00 32.58 31.12 1k82 s HIS 70 CO 0.06 -0.06 1.16 1.28 -2.47 0.00 0.00 174.74 174.71 1k82 n LEU 71 N 2.57 0.64 0.00 8.88 4.77 -1.26 -1.66 117.00 130.93 1k82 n LEU 71 Ca -0.16 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1k82 n LEU 71 Cb 0.52 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1k82 n LEU 71 CO 0.24 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1k82 n GLY 72 N 1.42 2.89 0.09 -0.72 0.00 -1.26 -0.32 105.19 107.29 1k82 n GLY 72 Ca 0.03 -0.26 -0.04 0.00 0.00 0.00 0.00 46.02 45.76 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 14.00 0.64 -0.55 1.61 2.81 -1.26 -4.19 117.12 130.17 1k82 n MET 73 Ca 0.00 0.20 0.03 0.00 -1.81 0.00 0.00 57.70 56.12 1k82 n MET 73 Cb 0.00 -1.75 0.05 0.00 -0.71 0.00 0.00 33.22 30.81 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 -2.89 0.79 -4.90 7.83 3.41 -1.21 -4.39 113.62 112.26 1k82 n SER 74 Ca -0.15 -2.36 -0.28 0.00 -0.26 0.00 0.00 58.87 55.81 1k82 n SER 74 Cb 0.94 -0.29 -0.02 0.00 -0.26 0.00 0.00 64.21 64.58 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 -1.71 1.71 0.15 5.00 0.00 0.56 -4.23 107.32 108.79 1k82 s GLY 75 Ca 0.15 -0.47 -0.15 0.00 0.00 0.00 0.00 44.72 44.24 1k82 s GLY 75 CO -0.02 -0.33 0.41 -1.35 0.00 0.00 0.00 173.10 171.81 1k82 s SER 76 N -3.57 -0.20 -0.02 1.64 1.04 -0.83 -4.88 113.70 106.87 1k82 s SER 76 Ca 0.47 -0.43 0.06 0.00 0.48 0.00 0.00 55.95 56.52 1k82 s SER 76 Cb -0.10 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.50 1k82 s SER 76 CO 0.36 -0.91 -0.20 -0.76 0.98 0.00 0.00 173.24 172.71 1k82 s LEU 77 N -2.84 2.02 -0.00 2.42 1.43 -1.26 -2.59 118.68 117.86 1k82 s LEU 77 Ca 0.06 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1k82 s LEU 77 Cb 0.01 -1.07 -0.00 0.00 0.03 0.00 0.00 46.19 45.16 1k82 s LEU 77 CO -0.08 0.24 -0.04 -0.13 0.23 0.00 0.00 176.35 176.56 1k82 s ARG 78 N -0.38 0.36 -0.37 1.70 0.52 -0.03 -4.98 118.95 115.77 1k82 s ARG 78 Ca 0.05 -0.19 -0.16 0.00 -0.52 0.00 0.00 55.73 54.92 1k82 s ARG 78 Cb -0.09 -0.33 -0.00 0.00 0.52 0.00 0.00 34.95 35.05 1k82 s ARG 78 CO 0.00 0.09 0.37 0.42 0.02 0.00 0.00 175.30 176.20 1k82 s ILE 79 N -0.17 5.16 0.11 1.52 1.01 -1.25 0.14 121.20 127.73 1k82 s ILE 79 Ca 0.01 -0.12 -0.08 0.00 0.00 0.00 0.00 60.65 60.46 1k82 s ILE 79 Cb -0.02 -3.88 -0.06 0.00 0.01 0.00 0.00 42.46 38.52 1k82 s ILE 79 CO -0.00 -0.18 0.40 -0.76 0.00 0.00 0.00 174.94 174.39 1k82 s LEU 80 N 2.00 4.30 0.26 2.97 1.43 0.36 -4.84 118.68 125.17 1k82 s LEU 80 Ca 0.11 0.71 -0.01 0.00 -1.03 0.00 0.00 54.13 53.91 1k82 s LEU 80 Cb -0.17 -3.16 0.54 0.00 0.03 0.00 0.00 46.19 43.43 1k82 s LEU 80 CO 0.12 0.11 1.74 -0.65 0.23 0.00 0.00 176.35 177.89 1k82 h PRO 81 N 3.27 0.51 0.00 1.29 0.11 -1.89 -1.02 132.00 134.26 1k82 h PRO 81 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1k82 h PRO 81 Cb 1.18 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1k82 h PRO 81 CO 0.69 0.33 0.00 -0.85 -0.21 0.00 0.00 178.00 177.96 1k82 n GLU 82 N -4.95 0.00 -1.02 1.05 0.00 -1.26 -4.38 120.64 110.08 1k82 n GLU 82 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 57.16 57.17 1k82 n GLU 82 Cb 0.47 0.00 -0.14 0.00 0.00 0.00 0.00 31.44 31.77 1k82 n GLU 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1k82 n GLU 83 N 0.00 2.23 -2.36 3.44 -0.58 -1.26 -4.61 120.64 117.50 1k82 n GLU 83 Ca 0.00 -1.18 -0.41 0.00 -0.42 0.00 0.00 57.16 55.15 1k82 n GLU 83 Cb 0.00 -2.13 -0.03 0.00 -0.57 0.00 0.00 31.44 28.71 1k82 n GLU 83 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1k82 s LEU 84 N 0.03 4.43 0.31 -4.62 2.96 -1.26 -4.96 118.68 115.57 1k82 s LEU 84 Ca 0.65 2.21 -0.29 0.00 -0.22 0.00 0.00 54.13 56.49 1k82 s LEU 84 Cb 0.28 -3.60 -0.10 0.00 0.50 0.00 0.00 46.19 43.27 1k82 s LEU 84 CO -0.01 -0.41 1.38 -2.84 -1.32 0.00 0.00 176.35 173.15 1k82 s PRO 85 N 0.07 4.28 0.66 0.98 0.02 -1.26 -4.99 135.00 134.77 1k82 s PRO 85 Ca 0.55 2.31 -0.11 0.00 0.02 0.00 0.00 61.00 63.77 1k82 s PRO 85 Cb -0.33 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 31.12 1k82 s PRO 85 CO 0.35 -0.33 1.05 -1.25 -0.33 0.00 0.00 177.00 176.49 1k82 s PRO 86 N -1.37 3.21 0.39 5.54 0.04 -1.26 -5.09 135.00 136.46 1k82 s PRO 86 Ca 0.53 0.85 0.08 0.00 0.04 0.00 0.00 61.00 62.49 1k82 s PRO 86 Cb -0.42 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.08 1k82 s PRO 86 CO 0.52 -0.87 0.44 -1.21 0.04 0.00 0.00 177.00 175.91 1k82 s GLU 87 N -5.11 2.76 0.63 4.56 2.02 -1.26 -5.01 118.70 117.28 1k82 s GLU 87 Ca 0.57 -1.31 0.36 0.00 0.02 0.00 0.00 54.97 54.60 1k82 s GLU 87 Cb -0.13 -2.59 2.03 0.00 0.10 0.00 0.00 34.13 33.55 1k82 s GLU 87 CO 0.54 -0.12 2.26 1.57 0.02 0.00 0.00 175.26 179.53 1k82 h LYS 88 N 0.93 0.00 -0.46 1.61 2.10 -2.04 -1.29 116.57 117.43 1k82 h LYS 88 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1k82 h LYS 88 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1k82 h LYS 88 CO 0.53 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.70 1k82 n HIS 89 N -3.48 0.73 -2.74 0.07 8.25 -1.26 -4.80 115.22 112.00 1k82 n HIS 89 Ca -0.02 -0.55 -0.43 0.00 -0.26 0.00 0.00 57.72 56.46 1k82 n HIS 89 Cb 0.14 -0.07 -0.01 0.00 1.12 0.00 0.00 29.99 31.17 1k82 n HIS 89 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1k82 s ASP 90 N -1.08 6.87 0.25 0.41 1.01 -0.49 -0.85 116.67 122.80 1k82 s ASP 90 Ca 0.34 -2.52 0.15 0.00 0.71 0.00 0.00 52.55 51.23 1k82 s ASP 90 Cb 0.19 -2.50 0.04 0.00 1.01 0.00 0.00 42.92 41.67 1k82 s ASP 90 CO 0.20 -1.04 1.36 0.45 0.21 0.00 0.00 175.17 176.35 1k82 h HIS 91 N 7.74 0.00 -3.43 4.23 3.86 -1.69 -3.43 115.15 122.43 1k82 h HIS 91 Ca 0.35 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.33 1k82 h HIS 91 Cb 0.90 0.00 -0.30 0.00 1.06 0.00 0.00 27.41 29.07 1k82 h HIS 91 CO 1.27 0.49 -0.63 0.08 0.86 0.00 0.00 177.93 180.00 1k82 s VAL 92 N -2.97 -0.03 0.10 2.45 1.01 -1.13 -0.97 120.40 118.86 1k82 s VAL 92 Ca 0.03 0.11 0.10 0.00 0.00 0.00 0.00 61.98 62.22 1k82 s VAL 92 Cb 0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.26 1k82 s VAL 92 CO 0.75 0.04 -0.26 -1.81 0.00 0.00 0.00 175.10 173.83 1k82 s ASP 93 N 0.64 3.11 -0.37 3.32 1.01 -0.00 -0.07 116.67 124.31 1k82 s ASP 93 Ca -0.05 -0.69 -0.05 0.00 0.71 0.00 0.00 52.55 52.47 1k82 s ASP 93 Cb -0.07 -0.22 0.07 0.00 1.01 0.00 0.00 42.92 43.71 1k82 s ASP 93 CO -0.03 0.18 0.15 -0.76 0.21 0.00 0.00 175.17 174.92 1k82 s LEU 94 N -1.77 4.69 -0.31 1.23 1.02 0.48 -1.50 118.68 122.52 1k82 s LEU 94 Ca 0.12 -1.51 -0.29 0.00 0.02 0.00 0.00 54.13 52.47 1k82 s LEU 94 Cb -0.10 -1.85 0.00 0.00 0.02 0.00 0.00 46.19 44.26 1k82 s LEU 94 CO 0.04 -0.43 1.29 -0.69 0.02 0.00 0.00 176.35 176.59 1k82 s VAL 95 N 1.30 4.15 0.39 -1.59 1.01 -0.51 -1.51 120.40 123.65 1k82 s VAL 95 Ca 0.01 1.30 -0.02 0.00 0.00 0.00 0.00 61.98 63.27 1k82 s VAL 95 Cb -0.21 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 1k82 s VAL 95 CO -0.00 -0.51 0.63 -0.04 0.00 0.00 0.00 175.10 175.18 1k82 s MET 96 N 4.18 3.52 0.31 2.72 1.00 -0.61 -0.76 119.30 129.67 1k82 s MET 96 Ca 0.55 -0.11 0.10 0.00 0.00 0.00 0.00 55.69 56.23 1k82 s MET 96 Cb -0.16 -2.56 0.52 0.00 0.00 0.00 0.00 34.83 32.62 1k82 s MET 96 CO 0.23 0.04 1.72 0.66 0.00 0.00 0.00 175.02 177.67 1k82 h SER 97 N 0.68 0.10 0.00 3.03 4.64 -1.06 -2.87 113.55 118.08 1k82 h SER 97 Ca -0.49 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1k82 h SER 97 Cb 1.21 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1k82 h SER 97 CO 0.62 0.55 0.00 -0.46 -0.87 0.00 0.00 176.83 176.67 1k82 n ASN 98 N -3.99 0.16 0.00 4.97 0.23 -1.26 -4.81 115.26 110.56 1k82 n ASN 98 Ca -0.02 -1.42 0.00 0.00 -0.53 0.00 0.00 54.58 52.61 1k82 n ASN 98 Cb 0.49 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.11 1k82 n ASN 98 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1k82 n GLY 99 N 0.20 2.12 3.95 4.83 0.00 -1.08 -5.00 105.19 110.21 1k82 n GLY 99 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.04 2.48 -0.02 1.61 1.02 -1.26 -4.02 119.74 119.52 1k82 s LYS 100 Ca 0.00 -0.52 0.04 0.00 0.02 0.00 0.00 55.97 55.51 1k82 s LYS 100 Cb 0.00 -2.36 -0.01 0.00 -0.52 0.00 0.00 37.83 34.94 1k82 s LYS 100 CO 0.00 -0.87 -0.14 0.08 -0.92 0.00 0.00 175.35 173.50 1k82 s VAL 101 N -2.94 1.14 -0.42 3.17 1.01 -0.39 -1.57 120.40 120.41 1k82 s VAL 101 Ca 0.57 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.75 1k82 s VAL 101 Cb -0.10 -0.95 0.02 0.00 0.00 0.00 0.00 36.38 35.34 1k82 s VAL 101 CO 0.41 0.32 0.62 -0.22 0.00 0.00 0.00 175.10 176.23 1k82 s LEU 102 N -0.25 4.48 -0.20 3.92 2.96 -0.57 0.14 118.68 129.16 1k82 s LEU 102 Ca 0.04 -0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 53.65 1k82 s LEU 102 Cb -0.06 -2.70 -0.01 0.00 0.50 0.00 0.00 46.19 43.91 1k82 s LEU 102 CO -0.00 -0.72 -0.06 -0.60 -1.32 0.00 0.00 176.35 173.65 1k82 s ARG 103 N 2.73 3.41 -0.22 1.98 3.52 0.12 0.18 118.95 130.68 1k82 s ARG 103 Ca 0.22 -0.62 -0.06 0.00 -0.13 0.00 0.00 55.73 55.13 1k82 s ARG 103 Cb -0.14 -2.94 -0.03 0.00 -1.56 0.00 0.00 34.95 30.28 1k82 s ARG 103 CO 0.18 -0.08 0.04 -0.47 -0.81 0.00 0.00 175.30 174.15 1k82 s TYR 104 N 1.17 3.09 -0.09 5.12 5.04 0.89 -0.85 117.35 131.72 1k82 s TYR 104 Ca 0.02 -0.34 0.03 0.00 -2.44 0.00 0.00 57.07 54.34 1k82 s TYR 104 Cb -0.14 -2.14 -0.01 0.00 0.35 0.00 0.00 41.96 40.01 1k82 s TYR 104 CO -0.01 -0.21 -0.18 0.99 -1.34 0.00 0.00 175.55 174.80 1k82 s THR 105 N 1.11 2.62 -0.40 4.34 2.01 -1.07 -1.95 115.64 122.30 1k82 s THR 105 Ca 0.03 -0.84 0.05 0.00 0.31 0.00 0.00 61.69 61.25 1k82 s THR 105 Cb -0.14 -2.04 0.18 0.00 0.01 0.00 0.00 72.50 70.51 1k82 s THR 105 CO 0.02 0.55 0.70 -0.62 -0.69 0.00 0.00 174.62 174.58 1k82 s ASP 106 N 0.04 -1.36 0.16 3.53 2.15 -0.03 -1.97 116.67 119.19 1k82 s ASP 106 Ca -0.07 -0.73 -0.16 0.00 0.43 0.00 0.00 52.55 52.02 1k82 s ASP 106 Cb -0.15 1.74 0.05 0.00 -0.30 0.00 0.00 42.92 44.26 1k82 s ASP 106 CO 0.05 -0.14 1.79 -0.65 -0.17 0.00 0.00 175.17 176.05 1k82 h PRO 107 N 6.67 0.44 0.00 4.34 0.11 -1.79 -2.69 132.00 139.08 1k82 h PRO 107 Ca 0.04 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.08 1k82 h PRO 107 Cb 1.18 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1k82 h PRO 107 CO 0.07 0.29 -0.22 0.00 -0.21 0.00 0.00 178.00 177.93 1k82 h ARG 108 N 0.46 0.00 -4.76 1.05 3.08 -1.96 -3.47 114.38 108.77 1k82 h ARG 108 Ca 0.16 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.91 1k82 h ARG 108 Cb 0.03 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.19 1k82 h ARG 108 CO -0.09 0.22 -0.53 0.54 -1.07 0.00 0.00 179.97 179.04 1k82 n ARG 109 N -3.19 -6.11 -0.09 0.04 1.74 -1.02 -4.91 116.66 103.13 1k82 n ARG 109 Ca 0.02 0.64 0.12 0.00 -0.77 0.00 0.00 57.85 57.87 1k82 n ARG 109 Cb 0.57 -5.12 0.25 0.00 -1.02 0.00 0.00 32.46 27.14 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 -4.36 0.23 -0.89 -1.55 3.72 -1.26 -2.73 117.46 110.63 1k82 n PHE 110 Ca -0.01 -0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1k82 n PHE 110 Cb 0.55 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.09 1k82 n PHE 110 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1k82 n GLY 111 N 1.35 -0.77 3.58 1.37 0.00 -1.26 -4.05 105.19 105.41 1k82 n GLY 111 Ca 0.17 -1.70 -0.14 0.00 0.00 0.00 0.00 46.02 44.35 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 -3.83 -1.83 -0.24 4.61 0.00 -0.67 -0.36 121.76 119.45 1k82 s ALA 112 Ca 0.00 1.68 -0.01 0.00 0.00 0.00 0.00 51.96 53.64 1k82 s ALA 112 Cb 0.00 -0.72 0.07 0.00 0.00 0.00 0.00 23.12 22.47 1k82 s ALA 112 CO 0.00 -0.33 0.01 -1.58 0.00 0.00 0.00 175.76 173.86 1k82 s TRP 113 N -0.43 1.90 0.13 0.00 0.52 -1.26 -1.13 118.94 118.68 1k82 s TRP 113 Ca -0.04 -1.53 0.04 0.00 0.02 0.00 0.00 56.10 54.60 1k82 s TRP 113 Cb -0.03 -1.49 -0.04 0.00 -1.15 0.00 0.00 33.47 30.76 1k82 s TRP 113 CO 0.03 -0.75 -0.10 -0.51 0.02 0.00 0.00 176.95 175.64 1k82 s LEU 114 N 1.56 2.48 -0.04 2.99 1.43 -0.02 -2.29 118.68 124.79 1k82 s LEU 114 Ca -0.01 -0.93 0.06 0.00 -1.03 0.00 0.00 54.13 52.22 1k82 s LEU 114 Cb -0.18 -0.34 -0.01 0.00 0.03 0.00 0.00 46.19 45.69 1k82 s LEU 114 CO -0.10 -0.30 -0.23 0.86 0.23 0.00 0.00 176.35 176.81 1k82 s TRP 115 N -2.97 2.14 -0.04 0.29 -0.11 -1.26 0.14 118.94 117.14 1k82 s TRP 115 Ca 0.12 -0.54 -0.02 0.00 1.22 0.00 0.00 56.10 56.89 1k82 s TRP 115 Cb 0.00 -1.40 0.02 0.00 -1.50 0.00 0.00 33.47 30.60 1k82 s TRP 115 CO 0.00 -0.13 0.08 -0.08 -4.62 0.00 0.00 176.95 172.20 1k82 s THR 116 N -0.28 -0.03 0.09 5.86 -1.32 -0.79 -4.97 115.64 114.18 1k82 s THR 116 Ca 0.02 0.13 -0.22 0.00 -1.21 0.00 0.00 61.69 60.40 1k82 s THR 116 Cb -0.11 -0.14 -0.13 0.00 -1.51 0.00 0.00 72.50 70.61 1k82 s THR 116 CO 0.01 0.05 1.68 0.07 -2.21 0.00 0.00 174.62 174.23 1k82 h LYS 117 N 6.82 0.10 -5.96 7.08 -0.00 -1.87 -1.08 116.57 121.67 1k82 h LYS 117 Ca -0.37 -0.01 -0.64 0.00 -0.00 0.00 0.00 60.65 59.63 1k82 h LYS 117 Cb 1.16 -0.02 -0.31 0.00 -0.00 0.00 0.00 32.23 33.06 1k82 h LYS 117 CO 0.46 0.14 -0.87 -1.21 -0.00 0.00 0.00 179.45 177.98 1k82 s GLU 118 N -5.89 2.02 0.29 0.07 0.41 -1.26 -4.37 118.70 109.97 1k82 s GLU 118 Ca -0.13 -0.79 -0.02 0.00 -0.41 0.00 0.00 54.97 53.62 1k82 s GLU 118 Cb 0.06 -1.83 0.43 0.00 -1.78 0.00 0.00 34.13 31.01 1k82 s GLU 118 CO 0.68 0.40 1.92 -0.07 -0.49 0.00 0.00 175.26 177.70 1k82 h LEU 119 N 5.87 0.90-10.52 1.80 3.38 -1.99 -3.44 115.31 111.32 1k82 h LEU 119 Ca -0.36 -0.06 -0.46 0.00 0.09 0.00 0.00 57.88 57.08 1k82 h LEU 119 Cb 1.15 -0.23 0.12 0.00 0.09 0.00 0.00 40.66 41.80 1k82 h LEU 119 CO 0.47 0.71 0.33 -1.61 0.09 0.00 0.00 178.44 178.44 1k82 s GLU 120 N -5.72 1.36 0.00 1.13 2.02 -1.26 -4.70 118.70 111.53 1k82 s GLU 120 Ca -0.11 0.25 0.00 0.00 0.02 0.00 0.00 54.97 55.13 1k82 s GLU 120 Cb 0.17 -1.87 0.00 0.00 0.10 0.00 0.00 34.13 32.53 1k82 s GLU 120 CO 0.80 -2.04 0.00 0.41 0.02 0.00 0.00 175.26 174.44 1k82 n GLY 121 N -2.48 1.22 0.00 -1.39 0.00 -1.26 -4.93 105.19 96.35 1k82 n GLY 121 Ca 0.07 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1k82 n GLY 121 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1k82 n HIS 122 N 0.00 0.00 -1.16 1.61 -0.00 -1.26 -4.90 115.22 109.50 1k82 n HIS 122 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.85 1k82 n HIS 122 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.94 1k82 n HIS 122 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 1k82 n ASN 123 N 0.00 -6.19 0.00 0.26 0.23 -1.26 -3.20 115.26 105.10 1k82 n ASN 123 Ca 0.00 0.69 0.00 0.00 -0.53 0.00 0.00 54.58 54.74 1k82 n ASN 123 Cb 0.00 -3.72 0.00 0.00 -2.08 0.00 0.00 39.78 33.98 1k82 n ASN 123 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 1k82 n VAL 124 N -3.58 1.07 -0.06 3.53 0.24 -1.26 -1.35 118.33 116.93 1k82 n VAL 124 Ca -0.02 0.41 -0.10 0.00 -2.04 0.00 0.00 64.34 62.59 1k82 n VAL 124 Cb 0.63 -1.41 -0.15 0.00 -1.47 0.00 0.00 33.84 31.44 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 -1.24 0.53 -4.62 1.34 4.77 -1.26 -4.81 117.00 111.71 1k82 n LEU 125 Ca 0.00 0.22 -0.39 0.00 -0.03 0.00 0.00 56.01 55.80 1k82 n LEU 125 Cb 0.14 0.29 0.03 0.00 -2.33 0.00 0.00 43.42 41.55 1k82 n LEU 125 CO 0.00 0.45 0.59 0.41 -1.33 0.00 0.00 177.39 177.52 1k82 n THR 126 N -2.92 3.10 -0.90 -5.08 -1.04 -0.46 -2.06 114.28 104.93 1k82 n THR 126 Ca -0.25 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.26 1k82 n THR 126 Cb 1.10 -1.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.41 1k82 n THR 126 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1k82 n HIS 127 N -1.13 0.00 -2.60 -1.42 8.25 -1.26 -4.99 115.22 112.07 1k82 n HIS 127 Ca 0.11 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.16 1k82 n HIS 127 Cb 0.44 -0.77 -0.04 0.00 1.12 0.00 0.00 29.99 30.74 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 0.00 4.52 0.00 2.41 1.43 -0.87 -4.61 118.68 121.55 1k82 s LEU 128 Ca 0.00 2.01 -0.19 0.00 -1.03 0.00 0.00 54.13 54.92 1k82 s LEU 128 Cb 0.00 -3.60 0.29 0.00 0.03 0.00 0.00 46.19 42.91 1k82 s LEU 128 CO 0.00 -0.12 0.80 0.61 0.23 0.00 0.00 176.35 177.87 1k82 n GLY 129 N 1.95 -3.41 3.77 -3.19 0.00 0.13 -4.98 105.19 99.47 1k82 n GLY 129 Ca 0.02 -1.37 -0.35 0.00 0.00 0.00 0.00 46.02 44.32 1k82 n GLY 129 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1k82 s PRO 130 N -4.87 3.33 0.24 1.61 0.04 -1.26 -4.48 135.00 129.61 1k82 s PRO 130 Ca 0.57 1.62 -0.31 0.00 0.04 0.00 0.00 61.00 62.92 1k82 s PRO 130 Cb -0.08 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 32.35 1k82 s PRO 130 CO 0.46 -0.87 1.63 -1.21 0.04 0.00 0.00 177.00 177.05 1k82 s GLU 131 N -3.29 4.14 0.40 4.56 0.41 -1.26 -2.67 118.70 120.99 1k82 s GLU 131 Ca 0.73 2.54 0.15 0.00 -0.41 0.00 0.00 54.97 57.98 1k82 s GLU 131 Cb -0.24 -3.07 0.85 0.00 -1.78 0.00 0.00 34.13 29.89 1k82 s GLU 131 CO 0.27 -0.66 1.88 -1.00 -0.49 0.00 0.00 175.26 175.26 1k82 h PRO 132 N 5.90 0.00 -0.00 0.39 0.13 -1.94 -2.24 132.00 134.24 1k82 h PRO 132 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.87 0.31 -0.10 1.28 -0.23 0.00 0.00 178.00 180.14 1k82 n LEU 133 N -4.05 0.32 -4.87 1.56 4.77 -1.26 -4.73 117.00 108.73 1k82 n LEU 133 Ca -0.02 0.12 -0.31 0.00 -0.03 0.00 0.00 56.01 55.77 1k82 n LEU 133 Cb 0.37 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1k82 n LEU 133 CO 0.37 0.06 0.67 -0.94 -1.33 0.00 0.00 177.39 176.23 1k82 s SER 134 N -2.58 6.26 0.28 -1.43 1.04 -0.84 -4.95 113.70 111.49 1k82 s SER 134 Ca 0.26 1.35 0.25 0.00 0.48 0.00 0.00 55.95 58.29 1k82 s SER 134 Cb 0.20 -2.44 0.99 0.00 0.10 0.00 0.00 66.02 64.87 1k82 s SER 134 CO 0.49 -0.80 1.75 0.44 0.98 0.00 0.00 173.24 176.10 1k82 h ASP 135 N -0.14 0.00 0.05 7.02 3.32 -1.89 -2.61 116.42 122.17 1k82 h ASP 135 Ca -0.45 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.57 1k82 h ASP 135 Cb 1.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1k82 h ASP 135 CO 0.62 0.00 -0.10 0.44 -1.72 0.00 0.00 179.24 178.48 1k82 h ASP 136 N 0.00 0.13 -3.37 6.45 3.32 -1.92 -3.37 116.42 117.65 1k82 h ASP 136 Ca 0.00 -0.02 -0.67 0.00 0.02 0.00 0.00 57.03 56.36 1k82 h ASP 136 Cb 0.44 -0.03 -0.17 0.00 0.22 0.00 0.00 39.33 39.79 1k82 h ASP 136 CO 0.00 0.25 0.06 0.12 -1.72 0.00 0.00 179.24 177.95 1k82 s PHE 137 N -4.80 3.05 0.30 4.55 5.36 -0.98 -4.86 117.98 120.60 1k82 s PHE 137 Ca -0.05 -0.37 0.00 0.00 -0.96 0.00 0.00 56.93 55.55 1k82 s PHE 137 Cb 0.16 -3.44 -0.02 0.00 -0.34 0.00 0.00 43.02 39.38 1k82 s PHE 137 CO 0.71 -0.97 0.33 0.54 -1.46 0.00 0.00 175.22 174.37 1k82 s ASN 138 N 2.42 0.91 0.32 6.13 2.20 -1.26 -4.85 114.94 120.82 1k82 s ASN 138 Ca 0.17 -1.51 0.00 0.00 -0.94 0.00 0.00 52.86 50.59 1k82 s ASN 138 Cb -0.17 0.55 0.54 0.00 -2.00 0.00 0.00 41.25 40.17 1k82 s ASN 138 CO 0.14 -1.10 1.97 1.23 -2.94 0.00 0.00 177.10 176.41 1k82 h GLY 139 N 2.25 0.98 1.33 0.45 0.00 -1.83 0.15 103.07 106.40 1k82 h GLY 139 Ca -0.29 -0.39 -0.15 0.00 0.00 0.00 0.00 47.33 46.50 1k82 h GLY 139 CO 0.41 0.38 -0.43 -2.09 0.00 0.00 0.00 176.54 174.81 1k82 h GLU 140 N 0.94 0.73 0.09 4.80 4.57 -1.91 -0.71 114.58 123.09 1k82 h GLU 140 Ca 0.25 -0.39 -0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1k82 h GLU 140 Cb -0.06 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 1k82 h GLU 140 CO -0.05 1.01 -0.04 -0.92 -1.18 0.00 0.00 179.01 177.83 1k82 h TYR 141 N 0.59 -0.11 -0.64 0.92 3.20 -1.73 -1.78 116.97 117.41 1k82 h TYR 141 Ca 0.04 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.98 1k82 h TYR 141 Cb 0.98 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 39.23 1k82 h TYR 141 CO 0.05 0.04 0.33 1.25 -1.64 0.00 0.00 178.16 178.19 1k82 h LEU 142 N -0.25 0.46 -0.23 2.82 5.85 -0.93 -0.20 115.31 122.83 1k82 h LEU 142 Ca -0.01 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1k82 h LEU 142 Cb 0.21 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1k82 h LEU 142 CO 0.02 0.29 0.10 -0.74 -0.34 0.00 0.00 178.44 177.78 1k82 h HIS 143 N 0.60 0.33 -0.46 1.25 2.76 -1.06 -1.66 115.15 116.91 1k82 h HIS 143 Ca 0.30 -0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.54 1k82 h HIS 143 Cb 0.24 -0.10 -0.09 0.00 1.55 0.00 0.00 27.41 29.00 1k82 h HIS 143 CO -0.10 0.34 -0.18 1.96 -1.30 0.00 0.00 177.93 178.65 1k82 h GLN 144 N 0.23 -0.08 0.00 5.26 4.20 -0.47 -2.54 115.11 121.71 1k82 h GLN 144 Ca 0.08 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 1k82 h GLN 144 Cb 0.14 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1k82 h GLN 144 CO -0.01 -0.05 -0.21 0.87 -0.67 0.00 0.00 178.83 178.76 1k82 h LYS 145 N -0.08 0.00 0.00 1.46 1.79 -0.79 -3.13 116.57 115.81 1k82 h LYS 145 Ca 0.22 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.58 1k82 h LYS 145 Cb 0.42 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.06 1k82 h LYS 145 CO -0.52 0.21 -0.78 0.00 -1.08 0.00 0.00 179.45 177.28 1k82 h ALA 147 N 1.56 2.21 -0.01 0.00 0.00 -1.45 0.29 119.26 121.85 1k82 h ALA 147 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1k82 h ALA 147 Cb 1.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1k82 h ALA 147 CO 0.05 -0.45 -0.25 1.63 0.00 0.00 0.00 179.25 180.23 1k82 n LYS 148 N -4.48 1.27 -1.69 0.00 5.02 -1.26 -4.88 118.16 112.14 1k82 n LYS 148 Ca 0.16 -0.90 -0.32 0.00 -2.02 0.00 0.00 58.31 55.24 1k82 n LYS 148 Cb 0.63 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 34.20 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 -2.35 2.96 0.00 1.97 -0.14 0.10 -4.95 119.74 117.34 1k82 s LYS 149 Ca 0.25 1.09 0.00 0.00 -1.36 0.00 0.00 55.97 55.95 1k82 s LYS 149 Cb 0.19 -1.99 0.00 0.00 -1.68 0.00 0.00 37.83 34.35 1k82 s LYS 149 CO 0.48 -1.09 0.64 1.63 -0.76 0.00 0.00 175.35 176.25 1k82 n LYS 150 N -2.78 0.92 -3.44 1.68 4.76 -1.26 -4.41 118.16 113.62 1k82 n LYS 150 Ca 0.08 -0.84 -0.16 0.00 -2.87 0.00 0.00 58.31 54.52 1k82 n LYS 150 Cb 0.53 -0.85 -0.04 0.00 -1.84 0.00 0.00 35.03 32.83 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 -2.14 -0.18 -2.24 -1.26 -4.96 114.28 103.29 1k82 n THR 151 Ca 0.00 -1.38 -0.35 0.00 -2.27 0.00 0.00 64.05 60.05 1k82 n THR 151 Cb 0.22 0.42 0.01 0.00 -2.10 0.00 0.00 70.33 68.88 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 -2.59 2.64 0.30 6.98 0.00 -1.26 -0.94 121.76 126.88 1k82 s ALA 152 Ca 0.08 0.81 0.06 0.00 0.00 0.00 0.00 51.96 52.91 1k82 s ALA 152 Cb 0.00 -3.37 0.46 0.00 0.00 0.00 0.00 23.12 20.22 1k82 s ALA 152 CO 0.06 -0.91 1.71 0.97 0.00 0.00 0.00 175.76 177.59 1k82 h ILE 153 N 0.97 1.29 0.24 0.00 6.09 -1.06 -3.21 117.51 121.82 1k82 h ILE 153 Ca -0.50 -1.43 -0.01 0.00 -1.37 0.00 0.00 64.86 61.55 1k82 h ILE 153 Cb 1.26 1.59 0.00 0.00 0.47 0.00 0.00 36.82 40.15 1k82 h ILE 153 CO 0.56 0.43 -0.11 0.50 -3.07 0.00 0.00 178.15 176.46 1k82 h LYS 154 N 0.25 -0.31 0.00 2.19 3.11 -1.82 -1.23 116.57 118.76 1k82 h LYS 154 Ca 0.03 0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.88 1k82 h LYS 154 Cb 0.76 0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 32.06 1k82 h LYS 154 CO 0.06 0.02 -0.05 -1.00 -2.81 0.00 0.00 179.45 175.67 1k82 h PRO 155 N -0.67 0.00 -0.71 1.90 0.13 -1.88 -2.59 132.00 128.19 1k82 h PRO 155 Ca -0.03 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.03 1k82 h PRO 155 Cb 0.47 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.57 1k82 h PRO 155 CO 0.05 0.05 0.17 2.35 -0.23 0.00 0.00 178.00 180.39 1k82 h TRP 156 N 0.00 1.18 0.00 1.56 -0.00 -1.48 -1.37 115.95 115.85 1k82 h TRP 156 Ca -0.00 -0.14 -0.02 0.00 -0.00 0.00 0.00 58.89 58.73 1k82 h TRP 156 Cb 0.09 -0.33 -0.00 0.00 -0.00 0.00 0.00 29.16 28.91 1k82 h TRP 156 CO 0.00 0.96 -0.08 -0.07 -0.00 0.00 0.00 178.44 179.24 1k82 h LEU 157 N 1.07 0.00 -0.98 0.65 3.38 -0.84 -1.94 115.31 116.65 1k82 h LEU 157 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1k82 h LEU 157 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1k82 h LEU 157 CO 0.00 0.08 0.00 0.23 0.09 0.00 0.00 178.44 178.85 1k82 n MET 158 N -4.42 1.64 -3.09 1.13 2.81 -0.55 -4.61 117.12 110.04 1k82 n MET 158 Ca -0.03 -0.97 -0.43 0.00 -1.81 0.00 0.00 57.70 54.47 1k82 n MET 158 Cb 0.16 -1.38 -0.07 0.00 -0.71 0.00 0.00 33.22 31.23 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 -1.57 6.33 0.30 7.83 -1.08 -0.73 -4.93 116.67 122.82 1k82 s ASP 159 Ca 0.32 -0.33 0.18 0.00 -0.52 0.00 0.00 52.55 52.19 1k82 s ASP 159 Cb 0.17 -2.33 0.97 0.00 -1.46 0.00 0.00 42.92 40.27 1k82 s ASP 159 CO 0.26 -0.81 1.51 0.59 0.52 0.00 0.00 175.17 177.24 1k82 n ASN 160 N 6.33 0.46 0.06 -0.34 3.02 -1.25 -0.49 115.26 123.06 1k82 n ASN 160 Ca -0.01 0.69 -0.06 0.00 -0.03 0.00 0.00 54.58 55.16 1k82 n ASN 160 Cb 0.48 -0.72 0.10 0.00 -0.61 0.00 0.00 39.78 39.03 1k82 n ASN 160 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1k82 h LYS 161 N 0.00 0.34 0.04 3.52 3.64 -1.92 0.38 116.57 122.56 1k82 h LYS 161 Ca 0.00 -0.22 -0.06 0.00 -1.27 0.00 0.00 60.65 59.10 1k82 h LYS 161 Cb 0.16 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1k82 h LYS 161 CO 0.00 0.83 -0.24 1.25 -2.27 0.00 0.00 179.45 179.02 1k82 h LEU 162 N 0.25 0.15 -7.00 5.20 5.85 -1.07 -3.37 115.31 115.32 1k82 h LEU 162 Ca -0.00 -0.96 0.03 0.00 0.84 0.00 0.00 57.88 57.79 1k82 h LEU 162 Cb 1.10 -0.05 -0.21 0.00 0.37 0.00 0.00 40.66 41.87 1k82 h LEU 162 CO 0.10 1.09 0.41 0.54 -0.34 0.00 0.00 178.44 180.24 1k82 s VAL 163 N -2.41 0.00 0.32 1.05 0.11 -1.07 -4.21 120.40 114.19 1k82 s VAL 163 Ca -0.17 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 58.92 1k82 s VAL 163 Cb -0.02 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.82 1k82 s VAL 163 CO 0.73 0.00 0.46 0.68 -3.33 0.00 0.00 175.10 173.65 1k82 s VAL 164 N -1.21 4.60 0.00 2.04 -7.23 -1.09 -3.78 120.40 113.73 1k82 s VAL 164 Ca -0.05 -0.87 0.00 0.00 -1.81 0.00 0.00 61.98 59.25 1k82 s VAL 164 Cb -0.00 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.31 1k82 s VAL 164 CO 0.04 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 1k82 n GLY 165 N -1.63 2.77 3.41 2.32 0.00 -1.26 -4.26 105.19 106.55 1k82 n GLY 165 Ca -0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.01 4.64 0.00 1.61 1.01 -1.26 -2.15 120.40 122.24 1k82 s VAL 166 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1k82 s VAL 166 Cb 0.00 -4.61 0.00 0.00 0.00 0.00 0.00 36.38 31.77 1k82 s VAL 166 CO 0.00 -1.31 0.00 0.61 0.00 0.00 0.00 175.10 174.40 1k82 n GLY 167 N 5.29 1.50 0.33 4.51 0.00 -1.26 -3.99 105.19 111.56 1k82 n GLY 167 Ca -0.01 -1.85 -0.06 0.00 0.00 0.00 0.00 46.02 44.09 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 1.05 0.29 1.61 -1.24 -1.95 -1.72 115.58 113.62 1k82 h ASN 168 Ca 0.00 -0.16 -0.01 0.00 0.71 0.00 0.00 56.30 56.83 1k82 h ASN 168 Cb 0.00 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 38.78 1k82 h ASN 168 CO 0.00 0.92 -0.14 0.40 -1.29 0.00 0.00 177.43 177.32 1k82 h ILE 169 N 1.10 0.67 0.00 2.57 2.04 -1.93 -3.20 117.51 118.76 1k82 h ILE 169 Ca 0.26 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1k82 h ILE 169 Cb 0.19 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1k82 h ILE 169 CO -0.02 0.13 0.00 -1.22 0.00 0.00 0.00 178.15 177.04 1k82 n TYR 170 N -5.09 0.42 -0.04 1.37 4.01 -1.21 -1.98 117.16 114.64 1k82 n TYR 170 Ca -0.09 0.14 -0.13 0.00 -0.16 0.00 0.00 57.90 57.66 1k82 n TYR 170 Cb 0.27 -0.73 -0.08 0.00 -0.31 0.00 0.00 39.34 38.49 1k82 n TYR 170 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1k82 h ALA 171 N 2.59 0.15 -0.46 -0.72 0.00 -1.34 -1.10 119.26 118.39 1k82 h ALA 171 Ca 0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1k82 h ALA 171 Cb 0.47 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1k82 h ALA 171 CO 0.00 -0.02 -0.05 0.77 0.00 0.00 0.00 179.25 179.95 1k82 h SER 172 N -0.15 0.84 -0.51 0.00 0.02 -1.52 -2.67 113.55 109.56 1k82 h SER 172 Ca 0.02 -0.33 -0.09 0.00 -0.84 0.00 0.00 61.79 60.55 1k82 h SER 172 Cb 0.60 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1k82 h SER 172 CO 0.02 0.97 -0.02 -0.33 -1.14 0.00 0.00 176.83 176.33 1k82 h GLU 173 N 0.68 0.91 -0.50 3.45 4.39 -1.42 -2.66 114.58 119.42 1k82 h GLU 173 Ca 0.12 -0.30 -0.08 0.00 0.34 0.00 0.00 59.36 59.44 1k82 h GLU 173 Cb 0.57 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 1k82 h GLU 173 CO 0.03 0.95 0.00 0.77 -1.16 0.00 0.00 179.01 179.61 1k82 h SER 174 N 0.77 0.87 0.16 1.42 0.02 -1.22 -2.38 113.55 113.19 1k82 h SER 174 Ca 0.14 -0.30 -0.08 0.00 -0.84 0.00 0.00 61.79 60.71 1k82 h SER 174 Cb 0.55 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1k82 h SER 174 CO 0.03 0.96 -0.28 -0.07 -1.14 0.00 0.00 176.83 176.33 1k82 h LEU 175 N 0.75 0.20 0.48 5.07 3.38 -1.41 -1.26 115.31 122.51 1k82 h LEU 175 Ca 0.14 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1k82 h LEU 175 Cb 0.51 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1k82 h LEU 175 CO 0.02 0.48 -0.23 0.15 0.09 0.00 0.00 178.44 178.96 1k82 h PHE 176 N 0.18 -0.59 -0.17 1.13 3.57 -1.22 0.48 116.94 120.32 1k82 h PHE 176 Ca 0.03 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.56 1k82 h PHE 176 Cb 0.59 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 1k82 h PHE 176 CO 0.01 -0.30 0.19 0.00 -2.23 0.00 0.00 178.31 175.97 1k82 h ALA 177 N -0.32 1.79 -0.01 2.41 0.00 -1.31 0.70 119.26 122.53 1k82 h ALA 177 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1k82 h ALA 177 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1k82 h ALA 177 CO 0.11 -0.28 -0.38 0.00 0.00 0.00 0.00 179.25 178.70 1k82 n ALA 178 N -2.33 3.35 -2.78 0.00 0.00 -0.49 -4.95 120.51 113.31 1k82 n ALA 178 Ca 0.01 -0.49 -0.15 0.00 0.00 0.00 0.00 53.44 52.82 1k82 n ALA 178 Cb 0.31 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.78 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 1.38 -0.11 3.36 0.00 0.00 0.25 -4.96 105.19 105.11 1k82 n GLY 179 Ca 0.10 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.97 3.18 0.07 -0.61 1.01 0.14 -2.78 121.20 119.24 1k82 s ILE 180 Ca 0.21 -0.60 -0.33 0.00 0.00 0.00 0.00 60.65 59.94 1k82 s ILE 180 Cb -0.09 -2.38 -0.12 0.00 0.01 0.00 0.00 42.46 39.89 1k82 s ILE 180 CO 0.26 0.49 1.80 1.57 0.00 0.00 0.00 174.94 179.06 1k82 n HIS 181 N 3.92 2.45 0.31 3.97 -0.00 -1.26 -4.55 115.22 120.06 1k82 n HIS 181 Ca -0.18 -0.02 0.20 0.00 -0.00 0.00 0.00 57.72 57.72 1k82 n HIS 181 Cb 0.52 -2.67 0.96 0.00 -0.00 0.00 0.00 29.99 28.80 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 8.21 0.00 -0.00 1.57 0.13 -1.93 -0.63 132.00 139.35 1k82 h PRO 182 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1k82 h PRO 182 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1k82 h PRO 182 CO 0.93 0.00 -0.09 -0.25 -0.23 0.00 0.00 178.00 178.37 1k82 n ASP 183 N -3.09 0.23 -4.69 1.44 8.00 -1.26 -3.25 116.55 113.92 1k82 n ASP 183 Ca -0.01 -0.20 -0.44 0.00 0.71 0.00 0.00 54.79 54.85 1k82 n ASP 183 Cb 0.19 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 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 -1.22 2.28 -1.68 -1.24 5.12 -0.25 -4.71 116.66 114.96 1k82 n ARG 184 Ca 0.12 0.82 -0.44 0.00 -1.93 0.00 0.00 57.85 56.41 1k82 n ARG 184 Cb 0.28 -2.54 -0.03 0.00 -1.16 0.00 0.00 32.46 29.01 1k82 n ARG 184 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1k82 n LEU 185 N 2.48 3.36 -0.30 0.55 4.77 -1.26 -0.82 117.00 125.78 1k82 n LEU 185 Ca 0.12 1.12 0.07 0.00 -0.03 0.00 0.00 56.01 57.28 1k82 n LEU 185 Cb 0.33 -1.46 0.28 0.00 -2.33 0.00 0.00 43.42 40.23 1k82 n LEU 185 CO 0.63 -0.28 1.24 0.00 -1.33 0.00 0.00 177.39 177.65 1k82 h ALA 186 N 5.02 1.60 0.00 -1.18 0.00 -1.27 -1.12 119.26 122.31 1k82 h ALA 186 Ca -0.45 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1k82 h ALA 186 Cb 1.26 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1k82 h ALA 186 CO 0.82 0.22 -0.01 0.66 0.00 0.00 0.00 179.25 180.93 1k82 h SER 187 N 0.92 0.00 -0.03 0.00 4.64 -1.77 -2.59 113.55 114.72 1k82 h SER 187 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1k82 h SER 187 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1k82 h SER 187 CO -0.18 0.01 0.00 -1.54 -0.87 0.00 0.00 176.83 174.25 1k82 n SER 188 N -3.12 1.62 -4.79 4.97 3.41 -0.42 -4.84 113.62 110.45 1k82 n SER 188 Ca -0.01 -1.55 -0.36 0.00 -0.26 0.00 0.00 58.87 56.69 1k82 n SER 188 Cb 0.21 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.09 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 -1.97 4.21 0.65 1.04 1.43 -0.98 -5.00 118.68 118.06 1k82 s LEU 189 Ca 0.37 1.89 -0.10 0.00 -1.03 0.00 0.00 54.13 55.26 1k82 s LEU 189 Cb 0.21 -4.15 -0.01 0.00 0.03 0.00 0.00 46.19 42.27 1k82 s LEU 189 CO 0.33 -0.26 1.03 -0.94 0.23 0.00 0.00 176.35 176.74 1k82 s SER 190 N -1.67 5.81 0.29 2.29 1.04 -1.26 -4.84 113.70 115.36 1k82 s SER 190 Ca 0.55 1.19 0.03 0.00 0.48 0.00 0.00 55.95 58.20 1k82 s SER 190 Cb -0.19 -2.14 0.62 0.00 0.10 0.00 0.00 66.02 64.42 1k82 s SER 190 CO 0.24 -1.08 1.83 0.25 0.98 0.00 0.00 173.24 175.45 1k82 h LEU 191 N -0.42 0.88 -0.50 2.42 5.85 -1.96 0.20 115.31 121.78 1k82 h LEU 191 Ca -0.45 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.25 1k82 h LEU 191 Cb 1.23 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1k82 h LEU 191 CO 0.63 0.43 0.01 0.00 -0.34 0.00 0.00 178.44 179.16 1k82 h ALA 192 N 1.57 0.67 -0.41 1.25 0.00 -1.94 0.12 119.26 120.51 1k82 h ALA 192 Ca 0.51 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1k82 h ALA 192 Cb 0.60 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1k82 h ALA 192 CO -0.29 0.47 0.08 0.93 0.00 0.00 0.00 179.25 180.45 1k82 h GLU 193 N 0.74 0.67 -0.73 0.00 5.08 -1.53 -0.52 114.58 118.29 1k82 h GLU 193 Ca 0.14 -0.17 0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1k82 h GLU 193 Cb 0.51 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 1k82 h GLU 193 CO 0.02 0.70 0.40 0.00 -1.00 0.00 0.00 179.01 179.13 1k82 h GLU 195 N 0.70 1.04 -0.19 0.00 4.39 -0.16 -1.53 114.58 118.81 1k82 h GLU 195 Ca 0.34 -0.17 -0.20 0.00 0.34 0.00 0.00 59.36 59.68 1k82 h GLU 195 Cb 0.28 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1k82 h GLU 195 CO -0.22 0.83 -0.67 1.25 -1.16 0.00 0.00 179.01 179.04 1k82 h LEU 196 N 1.02 0.86 -0.16 1.33 5.85 -0.46 -2.88 115.31 120.87 1k82 h LEU 196 Ca 0.24 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1k82 h LEU 196 Cb 0.17 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1k82 h LEU 196 CO -0.02 1.30 0.11 0.25 -0.34 0.00 0.00 178.44 179.73 1k82 h LEU 197 N 0.54 0.19 -0.90 2.25 5.85 -0.59 0.13 115.31 122.77 1k82 h LEU 197 Ca -0.02 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1k82 h LEU 197 Cb 1.27 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.20 1k82 h LEU 197 CO 0.14 0.14 0.58 0.00 -0.34 0.00 0.00 178.44 178.95 1k82 h ALA 198 N 1.06 1.22 -0.14 1.25 0.00 -1.35 0.75 119.26 122.06 1k82 h ALA 198 Ca 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1k82 h ALA 198 Cb -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1k82 h ALA 198 CO -0.01 0.38 0.06 0.00 0.00 0.00 0.00 179.25 179.68 1k82 h ARG 199 N 1.08 0.20 -0.01 0.00 3.08 -1.18 -2.40 114.38 115.16 1k82 h ARG 199 Ca 0.38 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.27 1k82 h ARG 199 Cb 0.09 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1k82 h ARG 199 CO -0.15 0.29 -0.56 -0.39 -1.07 0.00 0.00 179.97 178.09 1k82 h VAL 200 N 0.07 1.40 -0.34 2.04 -1.51 -0.36 -1.90 116.25 115.65 1k82 h VAL 200 Ca 0.05 -1.91 0.02 0.00 -1.23 0.00 0.00 66.70 63.63 1k82 h VAL 200 Cb 0.16 2.02 -0.03 0.00 -2.13 0.00 0.00 31.29 31.31 1k82 h VAL 200 CO -0.00 0.55 0.18 0.40 -1.23 0.00 0.00 177.57 177.46 1k82 h ILE 201 N 0.02 1.00 0.05 7.19 2.04 -0.74 0.65 117.51 127.72 1k82 h ILE 201 Ca -0.00 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1k82 h ILE 201 Cb 0.99 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1k82 h ILE 201 CO 0.07 0.07 -0.02 0.11 0.00 0.00 0.00 178.15 178.38 1k82 h LYS 202 N 0.37 -0.07 -0.55 2.37 1.57 -1.14 0.06 116.57 119.19 1k82 h LYS 202 Ca 0.14 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.98 1k82 h LYS 202 Cb 0.04 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 1k82 h LYS 202 CO -0.09 -0.03 0.27 0.00 -0.57 0.00 0.00 179.45 179.03 1k82 h ALA 203 N 0.86 0.71 -0.03 3.86 0.00 -1.08 0.31 119.26 123.89 1k82 h ALA 203 Ca -0.01 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1k82 h ALA 203 Cb 0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1k82 h ALA 203 CO 0.01 -0.09 0.01 0.28 0.00 0.00 0.00 179.25 179.46 1k82 h VAL 204 N 0.51 1.18 -0.35 0.00 2.07 0.54 -0.04 116.25 120.15 1k82 h VAL 204 Ca 0.25 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1k82 h VAL 204 Cb 0.18 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1k82 h VAL 204 CO -0.19 0.14 0.17 -0.07 0.02 0.00 0.00 177.57 177.64 1k82 h LEU 205 N -0.17 0.46 -1.47 2.57 3.38 -0.66 -1.53 115.31 117.90 1k82 h LEU 205 Ca 0.01 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1k82 h LEU 205 Cb 0.22 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1k82 h LEU 205 CO -0.00 0.46 0.32 -0.07 0.09 0.00 0.00 178.44 179.24 1k82 h LEU 206 N 0.43 0.60 0.10 1.67 3.38 -0.35 -0.69 115.31 120.45 1k82 h LEU 206 Ca 0.12 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1k82 h LEU 206 Cb 0.12 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1k82 h LEU 206 CO -0.02 0.45 -0.05 -0.09 0.09 0.00 0.00 178.44 178.82 1k82 h ARG 207 N 0.70 -0.13 -0.16 1.13 9.65 -0.52 -2.39 114.38 122.66 1k82 h ARG 207 Ca 0.19 0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 59.00 1k82 h ARG 207 Cb -0.05 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 1k82 h ARG 207 CO -0.04 -0.01 -0.23 1.03 2.80 0.00 0.00 179.97 183.52 1k82 h SER 208 N -0.23 0.28 0.15 -3.80 0.87 -0.69 -2.04 113.55 108.09 1k82 h SER 208 Ca -0.01 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1k82 h SER 208 Cb 0.19 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1k82 h SER 208 CO 0.02 0.52 -0.13 0.40 -0.53 0.00 0.00 176.83 177.11 1k82 h ILE 209 N 0.26 0.71 -0.80 2.23 2.04 -1.09 0.54 117.51 121.40 1k82 h ILE 209 Ca 0.04 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.14 1k82 h ILE 209 Cb 0.55 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1k82 h ILE 209 CO 0.04 0.00 0.62 -0.08 0.00 0.00 0.00 178.15 178.73 1k82 h GLU 210 N -0.30 0.00 -0.36 2.37 4.81 -0.84 -0.59 114.58 119.67 1k82 h GLU 210 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1k82 h GLU 210 Cb 0.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1k82 h GLU 210 CO -0.02 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.30 1k82 n GLN 211 N -4.14 3.05 -0.62 1.92 1.13 -0.95 -4.97 117.38 112.81 1k82 n GLN 211 Ca 0.16 -2.51 0.00 0.00 -1.94 0.00 0.00 57.00 52.71 1k82 n GLN 211 Cb 0.91 -1.61 0.00 0.00 0.11 0.00 0.00 30.24 29.65 1k82 n GLN 211 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1k82 n GLY 212 N 0.20 0.68 2.78 1.08 0.00 -0.23 -2.39 105.19 107.31 1k82 n GLY 212 Ca 0.18 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.62 -2.18 3.76 -0.02 0.00 0.18 -4.59 105.19 99.73 1k82 n GLY 213 Ca 0.00 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.64 5.36 -0.36 2.61 2.01 -1.26 -2.10 115.64 121.26 1k82 s THR 214 Ca 0.00 0.37 -0.12 0.00 0.31 0.00 0.00 61.69 62.25 1k82 s THR 214 Cb 0.00 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.98 1k82 s THR 214 CO 0.00 0.46 0.23 -0.89 -0.69 0.00 0.00 174.62 173.73 1k82 s THR 215 N 0.05 4.95 -2.61 -0.82 2.01 -1.26 -4.75 115.64 113.21 1k82 s THR 215 Ca 0.13 -0.53 0.24 0.00 0.31 0.00 0.00 61.69 61.84 1k82 s THR 215 Cb -0.12 -3.64 0.37 0.00 0.01 0.00 0.00 72.50 69.12 1k82 s THR 215 CO 0.02 -0.12 1.42 0.18 -0.69 0.00 0.00 174.62 175.44 1k82 n LEU 216 N 5.06 2.81 -3.59 4.42 4.77 -1.26 -4.73 117.00 124.49 1k82 n LEU 216 Ca -0.12 -1.10 -0.51 0.00 -0.03 0.00 0.00 56.01 54.25 1k82 n LEU 216 Cb 0.48 -0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.36 1k82 n LEU 216 CO 0.37 0.55 1.22 1.17 -1.33 0.00 0.00 177.39 179.37 1k82 n LYS 225 N 1.11 0.00 0.00 3.23 0.00 -1.26 -5.20 118.16 116.04 1k82 n LYS 225 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.48 1k82 n LYS 225 Cb 0.53 -1.21 0.00 0.00 0.00 0.00 0.00 35.03 34.35 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 4.98 1.42 -4.09 1.64 -0.02 -1.26 -5.01 135.00 132.67 1k82 n PRO 226 Ca 0.37 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.56 1k82 n PRO 226 Cb -0.04 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.38 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 -0.63 1.88 -0.17 -1.23 0.00 -1.26 -4.99 107.32 100.92 1k82 s GLY 227 Ca 0.00 -1.12 0.16 0.00 0.00 0.00 0.00 44.72 43.75 1k82 s GLY 227 CO 0.00 -1.12 1.55 -1.72 0.00 0.00 0.00 173.10 171.81 1k82 n TYR 228 N 0.19 1.35 0.02 1.90 0.53 -1.01 -4.17 117.16 115.98 1k82 n TYR 228 Ca -0.09 -0.76 0.11 0.00 -1.02 0.00 0.00 57.90 56.14 1k82 n TYR 228 Cb 0.53 -0.34 -0.17 0.00 -1.03 0.00 0.00 39.34 38.33 1k82 n TYR 228 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 1k82 n PHE 229 N 0.19 0.00 0.20 -0.72 7.35 -0.89 -4.35 117.46 119.24 1k82 n PHE 229 Ca 0.23 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 57.06 1k82 n PHE 229 Cb 0.95 -0.48 0.74 0.00 0.35 0.00 0.00 39.48 41.04 1k82 n PHE 229 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1k82 h ALA 230 N 2.02 1.99 0.00 3.13 0.00 -1.80 0.94 119.26 125.54 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 0.98 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1k82 h ALA 230 CO 0.00 -0.21 0.00 -0.56 0.00 0.00 0.00 179.25 178.48 1k82 h GLN 231 N 0.00 0.00 -0.28 0.00 -0.00 -1.92 -2.63 115.11 110.27 1k82 h GLN 231 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.72 1k82 h GLN 231 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.81 1k82 h GLN 231 CO -0.00 0.00 0.00 0.39 -0.00 0.00 0.00 178.83 179.22 1k82 n GLU 232 N -2.38 2.16 -2.25 0.06 1.02 0.32 -4.95 120.64 114.61 1k82 n GLU 232 Ca 0.05 -1.75 -0.42 0.00 -0.02 0.00 0.00 57.16 55.02 1k82 n GLU 232 Cb 0.40 -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 -1.54 4.40 -0.08 -4.62 1.43 -0.99 -4.94 118.68 112.35 1k82 s LEU 233 Ca 0.35 2.30 -0.02 0.00 -1.03 0.00 0.00 54.13 55.74 1k82 s LEU 233 Cb 0.20 -3.60 -0.26 0.00 0.03 0.00 0.00 46.19 42.56 1k82 s LEU 233 CO 0.29 -0.53 0.54 1.56 0.23 0.00 0.00 176.35 178.44 1k82 h GLN 234 N 5.95 0.21 0.00 1.70 1.08 -1.92 -3.46 115.11 118.66 1k82 h GLN 234 Ca -0.44 -0.35 0.00 0.00 -1.45 0.00 0.00 58.65 56.41 1k82 h GLN 234 Cb 1.21 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.77 1k82 h GLN 234 CO 0.80 1.03 -0.34 1.33 -0.95 0.00 0.00 178.83 180.70 1k82 n VAL 235 N -3.38 0.00 -1.69 -0.54 0.24 -1.26 -4.68 118.33 107.03 1k82 n VAL 235 Ca -0.25 0.00 -0.45 0.00 -2.04 0.00 0.00 64.34 61.60 1k82 n VAL 235 Cb 1.05 -0.21 -0.04 0.00 -1.47 0.00 0.00 33.84 33.17 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 -1.62 2.44 -1.71 6.34 9.36 -1.26 -1.64 117.16 129.07 1k82 n TYR 236 Ca 0.00 0.18 -0.15 0.00 3.32 0.00 0.00 57.90 61.24 1k82 n TYR 236 Cb 0.17 -2.59 -0.05 0.00 -0.63 0.00 0.00 39.34 36.24 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 3.64 1.01 1.06 2.98 0.00 -1.26 -4.87 105.19 107.74 1k82 n GLY 237 Ca 0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.53 2.08 -1.63 1.61 1.74 -0.65 -5.05 116.66 112.23 1k82 n ARG 238 Ca -0.16 -3.49 -0.48 0.00 -0.77 0.00 0.00 57.85 52.94 1k82 n ARG 238 Cb 0.55 -1.73 -0.04 0.00 -1.02 0.00 0.00 32.46 30.21 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 -0.93 1.64 0.00 5.56 4.81 -1.26 -1.46 118.16 126.52 1k82 n LYS 239 Ca 0.25 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.28 1k82 n LYS 239 Cb 0.79 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 33.59 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 2.65 2.58 3.77 3.14 0.00 0.73 -4.89 105.19 113.17 1k82 n GLY 240 Ca 0.16 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 2.82 0.30 1.61 2.02 -0.53 -4.19 118.70 120.73 1k82 s GLU 241 Ca 0.00 1.47 -0.29 0.00 0.02 0.00 0.00 54.97 56.17 1k82 s GLU 241 Cb 0.00 -1.95 -0.10 0.00 0.10 0.00 0.00 34.13 32.18 1k82 s GLU 241 CO 0.00 -1.25 1.24 -1.25 0.02 0.00 0.00 175.26 174.02 1k82 s PRO 242 N -3.93 4.46 0.18 0.39 0.04 -1.26 0.85 135.00 135.74 1k82 s PRO 242 Ca 0.69 2.06 -0.32 0.00 0.04 0.00 0.00 61.00 63.47 1k82 s PRO 242 Cb -0.22 -3.12 -0.12 0.00 0.04 0.00 0.00 34.50 31.07 1k82 s PRO 242 CO 0.39 -0.05 1.70 0.00 0.04 0.00 0.00 177.00 179.08 1k82 h ARG 244 N 6.77 0.00 0.01 0.00 3.08 -1.91 0.76 114.38 123.09 1k82 h ARG 244 Ca -0.44 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.23 1k82 h ARG 244 Cb 1.22 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.20 1k82 h ARG 244 CO 0.94 0.00 -2.39 0.28 -1.07 0.00 0.00 179.97 177.73 1k82 n VAL 245 N -2.57 1.48 -0.46 2.04 0.31 -1.26 -4.79 118.33 113.08 1k82 n VAL 245 Ca -0.01 -0.68 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 1k82 n VAL 245 Cb 0.12 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 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 0.10 2.70 3.71 0.00 0.00 0.26 -4.85 105.19 107.10 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 -1.64 2.44 0.17 2.61 2.01 -1.26 -3.51 115.64 116.46 1k82 s THR 248 Ca 0.00 0.17 -0.33 0.00 0.31 0.00 0.00 61.69 61.84 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 0.00 174.62 172.93 1k82 n PRO 249 N 4.78 2.37 -1.71 4.92 -0.02 -1.26 -1.12 135.00 142.96 1k82 n PRO 249 Ca 0.16 0.86 -0.43 0.00 -2.02 0.00 0.00 63.50 62.07 1k82 n PRO 249 Cb 0.37 -2.66 -0.02 0.00 -0.02 0.00 0.00 33.50 31.18 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 3.69 1.05 -3.98 4.25 2.08 0.25 -4.72 119.36 121.97 1k82 n ILE 250 Ca 0.17 -0.26 -0.35 0.00 0.56 0.00 0.00 62.75 62.86 1k82 n ILE 250 Cb 0.31 -1.74 -0.06 0.00 -0.75 0.00 0.00 39.64 37.40 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 -0.09 5.23 -0.04 1.39 1.01 0.65 -0.19 120.40 128.35 1k82 s VAL 251 Ca 0.65 -0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.68 1k82 s VAL 251 Cb -0.56 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1k82 s VAL 251 CO 0.50 0.52 -0.22 0.00 0.00 0.00 0.00 175.10 175.90 1k82 s ALA 252 N -1.09 2.33 0.00 5.51 0.00 -1.26 -0.61 121.76 126.64 1k82 s ALA 252 Ca 0.18 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1k82 s ALA 252 Cb -0.12 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.27 1k82 s ALA 252 CO 0.08 0.50 0.00 -2.37 0.00 0.00 0.00 175.76 173.97 1k82 n THR 253 N 2.55 0.00 -3.81 0.00 5.66 0.87 -4.98 114.28 114.57 1k82 n THR 253 Ca -0.17 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.71 1k82 n THR 253 Cb 0.52 0.00 -0.10 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 1.21 0.48 -0.09 1.09 1.02 -1.26 -1.27 119.74 120.93 1k82 s LYS 254 Ca 0.00 -0.10 -0.01 0.00 0.02 0.00 0.00 55.97 55.88 1k82 s LYS 254 Cb 0.00 0.21 0.03 0.00 -0.52 0.00 0.00 37.83 37.55 1k82 s LYS 254 CO 0.00 -0.11 -0.03 -1.01 -0.92 0.00 0.00 175.35 173.27 1k82 s HIS 255 N -0.90 1.00 -1.40 3.18 3.76 -0.49 -4.75 115.29 115.69 1k82 s HIS 255 Ca -0.10 -0.40 -0.04 0.00 -0.15 0.00 0.00 55.06 54.37 1k82 s HIS 255 Cb -0.05 -0.96 0.02 0.00 1.11 0.00 0.00 32.58 32.70 1k82 s HIS 255 CO 0.02 -0.39 0.34 0.00 -0.85 0.00 0.00 174.74 173.87 1k82 n ALA 256 N 4.97 -0.90 -1.45 -1.40 0.00 -1.26 -1.62 120.51 118.85 1k82 n ALA 256 Ca -0.11 0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.36 1k82 n ALA 256 Cb 0.50 -2.78 -0.06 0.00 0.00 0.00 0.00 19.45 17.12 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 -3.51 -0.97 -4.12 0.00 6.02 -1.26 -5.02 117.38 108.51 1k82 n GLN 257 Ca -0.11 0.98 -0.36 0.00 -0.01 0.00 0.00 57.00 57.49 1k82 n GLN 257 Cb 0.61 -5.07 -0.08 0.00 1.02 0.00 0.00 30.24 26.71 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 -3.25 3.29 0.27 -1.09 1.81 -0.64 -5.08 118.95 114.26 1k82 s ARG 258 Ca 0.00 -0.28 -0.30 0.00 -1.72 0.00 0.00 55.73 53.43 1k82 s ARG 258 Cb 0.00 -3.01 -0.11 0.00 -0.45 0.00 0.00 34.95 31.38 1k82 s ARG 258 CO 0.00 0.69 1.53 0.00 -0.68 0.00 0.00 175.30 176.83 1k82 s ALA 259 N -0.80 3.69 0.02 2.13 0.00 -1.26 -1.40 121.76 124.14 1k82 s ALA 259 Ca 0.13 1.46 0.05 0.00 0.00 0.00 0.00 51.96 53.60 1k82 s ALA 259 Cb -0.12 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.38 1k82 s ALA 259 CO 0.03 -0.88 -0.15 0.95 0.00 0.00 0.00 175.76 175.71 1k82 s THR 260 N -0.00 1.17 -0.04 0.00 -4.23 -0.39 -4.87 115.64 107.27 1k82 s THR 260 Ca 0.62 -0.85 0.06 0.00 -1.18 0.00 0.00 61.69 60.34 1k82 s THR 260 Cb -0.45 -1.02 -0.01 0.00 1.34 0.00 0.00 72.50 72.36 1k82 s THR 260 CO 0.46 0.16 -0.22 -0.36 -0.54 0.00 0.00 174.62 174.12 1k82 s PHE 261 N -0.62 2.14 0.29 3.99 0.40 -1.26 -0.09 117.98 122.83 1k82 s PHE 261 Ca 0.04 -0.56 -0.15 0.00 -0.60 0.00 0.00 56.93 55.65 1k82 s PHE 261 Cb -0.07 -1.40 0.01 0.00 0.51 0.00 0.00 43.02 42.07 1k82 s PHE 261 CO 0.01 -0.15 0.61 1.52 0.70 0.00 0.00 175.22 177.90 1k82 s TYR 262 N -0.22 0.21 -0.33 0.36 1.13 0.22 -4.77 117.35 113.94 1k82 s TYR 262 Ca 0.00 -0.64 -0.07 0.00 -1.41 0.00 0.00 57.07 54.95 1k82 s TYR 262 Cb -0.12 0.44 0.03 0.00 -1.10 0.00 0.00 41.96 41.21 1k82 s TYR 262 CO 0.02 -1.18 0.11 0.00 -2.51 0.00 0.00 175.55 171.99 1k82 n ARG 264 N 4.84 0.11 -0.13 0.00 1.85 -1.26 -0.47 116.66 121.60 1k82 n ARG 264 Ca -0.13 0.61 -0.24 0.00 -1.00 0.00 0.00 57.85 57.09 1k82 n ARG 264 Cb 0.45 -1.87 -0.11 0.00 -1.05 0.00 0.00 32.46 29.88 1k82 n ARG 264 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1k82 n GLN 265 N -2.12 0.61 0.13 2.89 7.27 -1.26 -4.46 117.38 120.43 1k82 n GLN 265 Ca -0.01 0.20 0.13 0.00 0.07 0.00 0.00 57.00 57.39 1k82 n GLN 265 Cb 0.03 -1.49 0.45 0.00 2.41 0.00 0.00 30.24 31.64 1k82 n GLN 265 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1k82 s GLN 267 N -3.22 2.68 0.00 0.00 -0.21 0.38 -4.49 119.66 114.80 1k82 s GLN 267 Ca 0.07 -0.83 0.00 0.00 0.02 0.00 0.00 55.36 54.62 1k82 s GLN 267 Cb 0.11 -2.13 0.00 0.00 1.00 0.00 0.00 33.01 31.99 1k82 s GLN 267 CO 0.51 0.25 0.01 1.63 -2.12 0.00 0.00 175.29 175.57