#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rr2 s ARG 4 N 0.00 4.18 0.10 -0.52 3.52 -1.26 -5.01 118.95 119.96 1rr2 s ARG 4 Ca 0.00 2.47 -0.02 0.00 -0.13 0.00 0.00 55.73 58.05 1rr2 s ARG 4 Cb 0.00 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.19 1rr2 s ARG 4 CO 0.00 -0.68 0.05 -1.21 -0.81 0.00 0.00 175.30 172.65 1rr2 s GLU 5 N 1.30 0.83 -0.07 5.12 2.02 -1.26 -5.15 118.70 121.49 1rr2 s GLU 5 Ca 0.73 -1.32 0.01 0.00 0.02 0.00 0.00 54.97 54.40 1rr2 s GLU 5 Cb -0.46 0.25 0.02 0.00 0.10 0.00 0.00 34.13 34.04 1rr2 s GLU 5 CO 0.32 -0.22 -0.08 0.42 0.02 0.00 0.00 175.26 175.72 1rr2 s ILE 6 N -3.99 0.87 0.09 -1.63 1.01 -1.26 -5.12 121.20 111.18 1rr2 s ILE 6 Ca 0.17 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.24 1rr2 s ILE 6 Cb 0.07 -0.87 -0.06 0.00 0.01 0.00 0.00 42.46 41.62 1rr2 s ILE 6 CO -0.03 0.32 1.09 -0.70 0.00 0.00 0.00 174.94 175.62 1rr2 s GLU 7 N 1.14 4.54 0.19 2.79 2.12 -1.26 -5.04 118.70 123.18 1rr2 s GLU 7 Ca -0.06 1.65 0.09 0.00 0.36 0.00 0.00 54.97 57.00 1rr2 s GLU 7 Cb -0.14 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 1rr2 s GLU 7 CO -0.01 -0.05 -0.17 0.14 -0.54 0.00 0.00 175.26 174.62 1rr2 s VAL 8 N 0.51 1.87 0.70 3.70 -7.23 -1.26 -4.81 120.40 113.88 1rr2 s VAL 8 Ca 0.53 -2.05 -0.14 0.00 -1.81 0.00 0.00 61.98 58.51 1rr2 s VAL 8 Cb -0.27 -1.95 0.02 0.00 0.56 0.00 0.00 36.38 34.75 1rr2 s VAL 8 CO 0.31 -0.40 1.14 -0.94 -0.31 0.00 0.00 175.10 174.90 1rr2 s SER 9 N -2.92 4.65 0.77 4.85 1.04 0.74 -4.99 113.70 117.83 1rr2 s SER 9 Ca 0.19 2.11 -0.13 0.00 0.48 0.00 0.00 55.95 58.60 1rr2 s SER 9 Cb -0.04 -2.56 0.06 0.00 0.10 0.00 0.00 66.02 63.58 1rr2 s SER 9 CO 0.08 -1.94 1.14 -1.83 0.98 0.00 0.00 173.24 171.66 1rr2 s GLU 10 N -4.13 2.06 0.27 4.02 1.03 -1.26 -4.91 118.70 115.77 1rr2 s GLU 10 Ca 0.69 1.47 -0.29 0.00 0.03 0.00 0.00 54.97 56.87 1rr2 s GLU 10 Cb -0.23 -1.85 -0.14 0.00 -0.80 0.00 0.00 34.13 31.11 1rr2 s GLU 10 CO 0.45 -1.84 1.15 -2.30 -1.33 0.00 0.00 175.26 171.38 1rr2 n PRO 11 N -3.21 1.55 -3.65 -4.83 -0.02 -1.26 -4.94 135.00 118.64 1rr2 n PRO 11 Ca 0.11 0.55 -0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1rr2 n PRO 11 Cb 0.52 -2.02 -0.01 0.00 -0.02 0.00 0.00 33.50 31.97 1rr2 n PRO 11 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1rr2 s ARG 12 N -1.20 0.60 -0.01 -0.52 1.70 -1.00 -4.98 118.95 113.54 1rr2 s ARG 12 Ca 0.62 -0.33 -0.21 0.00 -0.47 0.00 0.00 55.73 55.34 1rr2 s ARG 12 Cb -0.70 0.21 -0.05 0.00 -0.57 0.00 0.00 34.95 33.84 1rr2 s ARG 12 CO 0.57 -0.28 0.61 -2.00 -1.08 0.00 0.00 175.30 173.13 1rr2 s GLU 13 N -2.66 4.34 -0.16 3.89 2.12 -1.26 -2.12 118.70 122.85 1rr2 s GLU 13 Ca 0.13 0.77 -0.05 0.00 0.36 0.00 0.00 54.97 56.18 1rr2 s GLU 13 Cb 0.03 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 31.03 1rr2 s GLU 13 CO -0.02 0.33 0.01 0.08 -0.54 0.00 0.00 175.26 175.12 1rr2 s VAL 14 N -0.07 4.36 0.46 3.70 1.01 0.17 -4.91 120.40 125.12 1rr2 s VAL 14 Ca 0.32 -0.19 -0.19 0.00 0.00 0.00 0.00 61.98 61.92 1rr2 s VAL 14 Cb -0.18 -2.93 -0.10 0.00 0.00 0.00 0.00 36.38 33.17 1rr2 s VAL 14 CO 0.18 0.49 0.96 -0.83 0.00 0.00 0.00 175.10 175.89 1rr2 s GLY 15 N 0.25 2.25 -0.06 4.51 0.00 -0.31 -4.38 107.32 109.58 1rr2 s GLY 15 Ca 0.01 0.30 0.03 0.00 0.00 0.00 0.00 44.72 45.06 1rr2 s GLY 15 CO 0.02 0.57 -0.16 -0.42 0.00 0.00 0.00 173.10 173.11 1rr2 s ILE 16 N -2.36 1.37 -0.24 0.90 -1.09 -1.26 -1.88 121.20 116.64 1rr2 s ILE 16 Ca 0.60 -0.65 -0.06 0.00 -2.23 0.00 0.00 60.65 58.31 1rr2 s ILE 16 Cb -0.09 -1.21 -0.02 0.00 -1.58 0.00 0.00 42.46 39.55 1rr2 s ILE 16 CO 0.21 0.40 0.04 -0.89 -1.23 0.00 0.00 174.94 173.47 1rr2 s THR 17 N 0.35 4.06 0.02 2.92 2.01 -0.77 -0.05 115.64 124.19 1rr2 s THR 17 Ca -0.11 -0.26 -0.26 0.00 0.31 0.00 0.00 61.69 61.37 1rr2 s THR 17 Cb -0.14 -2.89 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 1rr2 s THR 17 CO 0.04 0.36 0.83 -0.70 -0.69 0.00 0.00 174.62 174.46 1rr2 s GLU 18 N 1.58 4.53 0.00 4.92 2.56 -1.07 -1.35 118.70 129.86 1rr2 s GLU 18 Ca 0.06 1.16 0.11 0.00 0.00 0.00 0.00 54.97 56.31 1rr2 s GLU 18 Cb -0.15 -3.40 0.14 0.00 2.00 0.00 0.00 34.13 32.71 1rr2 s GLU 18 CO 0.02 0.16 0.94 1.28 -0.56 0.00 0.00 175.26 177.10 1rr2 n LEU 19 N 3.23 2.16 -0.11 2.70 4.77 -0.27 -1.52 117.00 127.96 1rr2 n LEU 19 Ca 0.00 -1.20 0.14 0.00 -0.03 0.00 0.00 56.01 54.93 1rr2 n LEU 19 Cb 0.50 -0.05 0.52 0.00 -2.33 0.00 0.00 43.42 42.07 1rr2 n LEU 19 CO 0.49 0.44 1.20 1.62 -1.33 0.00 0.00 177.39 179.81 1rr2 h VAL 20 N 2.23 0.83 -0.00 4.08 3.04 -1.82 -0.62 116.25 123.98 1rr2 h VAL 20 Ca 0.00 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 1rr2 h VAL 20 Cb 0.53 0.43 0.00 0.00 -2.01 0.00 0.00 31.29 30.24 1rr2 h VAL 20 CO 0.00 0.07 -0.05 0.18 -1.01 0.00 0.00 177.57 176.76 1rr2 n LEU 21 N -4.46 0.13 0.00 3.16 4.77 -1.25 -4.15 117.00 115.19 1rr2 n LEU 21 Ca 0.12 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1rr2 n LEU 21 Cb 0.47 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1rr2 n LEU 21 CO 0.34 0.02 0.00 -1.14 -1.33 0.00 0.00 177.39 175.28 1rr2 n ARG 22 N -1.26 0.00 -0.14 3.23 0.00 -0.33 -4.69 116.66 113.47 1rr2 n ARG 22 Ca 0.13 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.98 1rr2 n ARG 22 Cb 0.27 0.00 0.28 0.00 0.00 0.00 0.00 32.46 33.01 1rr2 n ARG 22 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 1rr2 h ASP 23 N 0.00 0.73 -0.02 6.15 -0.00 -1.78 -1.73 116.42 119.78 1rr2 h ASP 23 Ca 0.00 -0.05 0.01 0.00 -0.00 0.00 0.00 57.03 57.00 1rr2 h ASP 23 Cb 0.00 -0.19 -0.02 0.00 -0.00 0.00 0.00 39.33 39.13 1rr2 h ASP 23 CO 0.00 0.58 -0.06 0.00 -0.00 0.00 0.00 179.24 179.77 1rr2 h ALA 24 N 1.54 -0.05 0.00 -0.78 0.00 -1.55 0.64 119.26 119.06 1rr2 h ALA 24 Ca 0.22 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1rr2 h ALA 24 Cb 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1rr2 h ALA 24 CO -0.04 -0.55 -0.17 1.12 0.00 0.00 0.00 179.25 179.62 1rr2 h HIS 25 N -0.10 0.00 -0.50 0.00 2.07 -1.69 0.03 115.15 114.97 1rr2 h HIS 25 Ca 0.03 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.48 1rr2 h HIS 25 Cb 0.14 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.10 1rr2 h HIS 25 CO -0.14 0.17 0.02 0.37 -3.07 0.00 0.00 177.93 175.28 1rr2 h GLN 26 N 0.00 0.87 0.07 5.12 4.15 -0.92 0.77 115.11 125.16 1rr2 h GLN 26 Ca -0.00 -0.27 -0.24 0.00 0.77 0.00 0.00 58.65 58.91 1rr2 h GLN 26 Cb 1.08 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.68 1rr2 h GLN 26 CO 0.02 0.89 -1.09 0.77 -1.93 0.00 0.00 178.83 177.50 1rr2 h SER 27 N 0.73 0.34 0.00 -0.69 0.02 -0.71 -3.19 113.55 110.04 1rr2 h SER 27 Ca 0.14 -0.33 -0.32 0.00 -0.84 0.00 0.00 61.79 60.45 1rr2 h SER 27 Cb 0.49 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.86 1rr2 h SER 27 CO 0.02 1.21 -2.30 0.18 -1.14 0.00 0.00 176.83 174.80 1rr2 n LEU 28 N -3.56 0.00 -2.71 5.07 4.77 -0.02 -4.62 117.00 115.93 1rr2 n LEU 28 Ca -0.06 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.87 1rr2 n LEU 28 Cb 0.94 0.43 0.04 0.00 -2.33 0.00 0.00 43.42 42.50 1rr2 n LEU 28 CO 0.51 0.43 -0.02 1.15 -1.33 0.00 0.00 177.39 178.13 1rr2 n MET 29 N -2.67 1.76 -3.89 3.23 0.00 -0.40 -3.86 117.12 111.28 1rr2 n MET 29 Ca -0.29 -3.52 -0.31 0.00 0.00 0.00 0.00 57.70 53.59 1rr2 n MET 29 Cb 1.07 -1.58 0.01 0.00 0.00 0.00 0.00 33.22 32.73 1rr2 n MET 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1rr2 n ALA 30 N -0.45 -1.24 -1.85 3.17 0.00 -1.11 -1.84 120.51 117.20 1rr2 n ALA 30 Ca 0.11 0.15 -0.20 0.00 0.00 0.00 0.00 53.44 53.51 1rr2 n ALA 30 Cb 0.81 -4.12 -0.06 0.00 0.00 0.00 0.00 19.45 16.09 1rr2 n ALA 30 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1rr2 n THR 31 N -4.54 -0.31 1.35 0.00 -1.04 0.13 -4.85 114.28 105.02 1rr2 n THR 31 Ca 0.04 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.16 1rr2 n THR 31 Cb 0.52 -2.19 0.42 0.00 -1.82 0.00 0.00 70.33 67.26 1rr2 n THR 31 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1rr2 n ARG 32 N -2.53 1.63 -1.67 -2.82 5.12 -0.76 -4.86 116.66 110.76 1rr2 n ARG 32 Ca -0.21 -0.94 -0.43 0.00 -1.93 0.00 0.00 57.85 54.34 1rr2 n ARG 32 Cb 0.66 -1.39 -0.03 0.00 -1.16 0.00 0.00 32.46 30.53 1rr2 n ARG 32 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 1rr2 n MET 33 N 0.16 2.78 -2.65 5.56 1.56 -1.26 -4.71 117.12 118.56 1rr2 n MET 33 Ca 0.16 1.02 -0.36 0.00 -0.27 0.00 0.00 57.70 58.25 1rr2 n MET 33 Cb 0.30 -2.94 -0.05 0.00 2.15 0.00 0.00 33.22 32.68 1rr2 n MET 33 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1rr2 s ALA 34 N 3.74 3.09 0.28 -5.12 0.00 -1.26 -4.96 121.76 117.54 1rr2 s ALA 34 Ca 0.87 0.60 -0.03 0.00 0.00 0.00 0.00 51.96 53.39 1rr2 s ALA 34 Cb -0.48 -3.23 0.39 0.00 0.00 0.00 0.00 23.12 19.81 1rr2 s ALA 34 CO 0.41 -0.06 1.95 1.98 0.00 0.00 0.00 175.76 180.04 1rr2 h MET 35 N 2.49 1.14 0.00 0.00 4.05 -1.92 -1.21 114.93 119.49 1rr2 h MET 35 Ca -0.48 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 58.86 1rr2 h MET 35 Cb 1.20 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.75 1rr2 h MET 35 CO 0.62 0.77 0.00 1.05 0.23 0.00 0.00 176.91 179.58 1rr2 h GLU 36 N 1.17 0.00 -0.00 0.39 4.11 -1.94 -0.49 114.58 117.81 1rr2 h GLU 36 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.74 1rr2 h GLU 36 Cb -0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1rr2 h GLU 36 CO -0.07 0.00 -0.30 -0.25 0.07 0.00 0.00 179.01 178.47 1rr2 n ASP 37 N -2.59 0.64 -0.06 3.06 8.00 -0.46 -4.32 116.55 120.82 1rr2 n ASP 37 Ca 0.00 -0.48 -0.08 0.00 0.71 0.00 0.00 54.79 54.95 1rr2 n ASP 37 Cb 0.19 0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.31 1rr2 n ASP 37 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1rr2 n MET 38 N -1.09 0.86 -0.02 -1.24 2.81 -0.25 -4.66 117.12 113.53 1rr2 n MET 38 Ca 0.10 0.05 0.22 0.00 -1.81 0.00 0.00 57.70 56.26 1rr2 n MET 38 Cb 0.33 -1.25 0.71 0.00 -0.71 0.00 0.00 33.22 32.30 1rr2 n MET 38 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 1rr2 h VAL 39 N 0.00 0.63 0.00 2.03 -1.51 -1.61 -0.75 116.25 115.04 1rr2 h VAL 39 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.19 1rr2 h VAL 39 Cb 1.48 0.68 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 1rr2 h VAL 39 CO -0.03 0.00 0.00 1.23 -1.23 0.00 0.00 177.57 177.54 1rr2 h GLY 40 N 0.00 0.00 -1.09 5.19 0.00 -1.83 -2.54 103.07 102.81 1rr2 h GLY 40 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1rr2 h GLY 40 CO -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 176.54 176.39 1rr2 n ALA 41 N -1.83 2.79 -0.17 3.60 0.00 -0.29 -4.61 120.51 120.00 1rr2 n ALA 41 Ca 0.00 -0.59 -0.07 0.00 0.00 0.00 0.00 53.44 52.78 1rr2 n ALA 41 Cb 0.15 -0.57 0.02 0.00 0.00 0.00 0.00 19.45 19.05 1rr2 n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rr2 h ALA 43 N 1.14 0.82 -0.36 0.00 0.00 -1.79 0.10 119.26 119.17 1rr2 h ALA 43 Ca 0.18 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1rr2 h ALA 43 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1rr2 h ALA 43 CO -0.03 0.27 -0.36 -0.44 0.00 0.00 0.00 179.25 178.69 1rr2 h ASP 44 N 0.88 0.89 -0.84 0.00 3.32 -1.80 -2.53 116.42 116.34 1rr2 h ASP 44 Ca 0.23 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 1rr2 h ASP 44 Cb -0.07 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.19 1rr2 h ASP 44 CO -0.05 1.16 0.40 0.40 -1.72 0.00 0.00 179.24 179.42 1rr2 h ILE 45 N 0.70 1.26 0.00 0.35 2.04 -0.53 -1.49 117.51 119.84 1rr2 h ILE 45 Ca 0.06 -0.73 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 1rr2 h ILE 45 Cb 0.92 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1rr2 h ILE 45 CO 0.09 0.31 -0.20 -0.78 0.00 0.00 0.00 178.15 177.57 1rr2 h ASP 46 N 1.19 0.00 -0.46 1.72 3.58 -0.62 -2.70 116.42 119.13 1rr2 h ASP 46 Ca 0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.74 1rr2 h ASP 46 Cb 0.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1rr2 h ASP 46 CO -0.04 0.20 0.00 0.00 -2.88 0.00 0.00 179.24 176.52 1rr2 n ALA 47 N -2.29 2.33 0.08 -0.78 0.00 -0.87 -4.59 120.51 114.39 1rr2 n ALA 47 Ca -0.01 -1.28 -0.11 0.00 0.00 0.00 0.00 53.44 52.04 1rr2 n ALA 47 Cb 0.33 -0.61 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 1rr2 n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rr2 h ALA 48 N 2.69 0.44 0.00 0.00 0.00 -0.94 -3.44 119.26 118.01 1rr2 h ALA 48 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1rr2 h ALA 48 Cb 0.88 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1rr2 h ALA 48 CO 0.03 0.87 0.00 0.41 0.00 0.00 0.00 179.25 180.56 1rr2 n GLY 49 N 0.92 1.52 3.77 0.00 0.00 -1.26 -0.11 105.19 110.03 1rr2 n GLY 49 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1rr2 n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rr2 s TYR 50 N -2.00 2.66 0.11 1.61 4.12 -1.26 -4.60 117.35 117.99 1rr2 s TYR 50 Ca 0.00 1.55 -0.14 0.00 0.02 0.00 0.00 57.07 58.50 1rr2 s TYR 50 Cb 0.00 -3.25 -0.09 0.00 -1.52 0.00 0.00 41.96 37.10 1rr2 s TYR 50 CO 0.00 -1.60 1.41 2.35 0.02 0.00 0.00 175.55 177.74 1rr2 h TRP 51 N 0.86 0.92 -3.53 2.71 7.01 -0.82 -3.46 115.95 119.64 1rr2 h TRP 51 Ca -0.49 -0.29 -0.05 0.00 2.11 0.00 0.00 58.89 60.17 1rr2 h TRP 51 Cb 1.26 -0.19 -0.11 0.00 -2.10 0.00 0.00 29.16 28.02 1rr2 h TRP 51 CO 0.52 1.07 -0.11 -1.54 -2.79 0.00 0.00 178.44 175.59 1rr2 s SER 52 N -6.66 -0.14 -0.28 2.65 1.04 -1.24 -4.36 113.70 104.71 1rr2 s SER 52 Ca -0.12 -0.61 0.02 0.00 0.48 0.00 0.00 55.95 55.71 1rr2 s SER 52 Cb 0.09 0.52 0.08 0.00 0.10 0.00 0.00 66.02 66.80 1rr2 s SER 52 CO 0.85 -0.98 -0.01 -0.69 0.98 0.00 0.00 173.24 173.39 1rr2 s VAL 53 N -3.90 1.74 -0.19 5.02 1.01 0.51 -2.61 120.40 121.99 1rr2 s VAL 53 Ca 0.11 -1.64 -0.29 0.00 0.00 0.00 0.00 61.98 60.16 1rr2 s VAL 53 Cb 0.01 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 1rr2 s VAL 53 CO -0.03 -0.32 1.30 -0.70 0.00 0.00 0.00 175.10 175.35 1rr2 s GLU 54 N 1.24 4.16 0.00 2.72 2.12 -0.57 -0.86 118.70 127.51 1rr2 s GLU 54 Ca 0.01 1.61 0.00 0.00 0.36 0.00 0.00 54.97 56.95 1rr2 s GLU 54 Cb -0.19 -3.80 0.00 0.00 0.26 0.00 0.00 34.13 30.40 1rr2 s GLU 54 CO -0.09 -0.80 0.54 0.00 -0.54 0.00 0.00 175.26 174.37 1rr2 s TRP 56 N 0.00 0.12 0.00 0.00 -0.00 -1.20 -4.80 118.94 113.06 1rr2 s TRP 56 Ca 0.00 -0.51 0.00 0.00 -0.00 0.00 0.00 56.10 55.59 1rr2 s TRP 56 Cb 0.00 0.38 0.00 0.00 -0.00 0.00 0.00 33.47 33.85 1rr2 s TRP 56 CO 0.00 -1.05 0.00 0.41 -0.00 0.00 0.00 176.95 176.31 1rr2 n GLY 57 N -0.40 -1.85 7.00 5.86 0.00 -1.26 -2.86 105.19 111.68 1rr2 n GLY 57 Ca -0.04 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.57 1rr2 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rr2 n GLY 58 N 0.00 2.18 0.79 -0.02 0.00 -0.71 -2.41 105.19 105.02 1rr2 n GLY 58 Ca 0.00 -0.54 0.10 0.00 0.00 0.00 0.00 46.02 45.58 1rr2 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rr2 n ALA 59 N 8.65 2.47 0.08 4.61 0.00 -1.26 -4.24 120.51 130.81 1rr2 n ALA 59 Ca 0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 53.44 52.69 1rr2 n ALA 59 Cb 0.00 -1.00 0.22 0.00 0.00 0.00 0.00 19.45 18.67 1rr2 n ALA 59 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1rr2 h THR 60 N 2.92 1.30 0.26 0.00 1.35 -1.84 -1.34 112.91 115.56 1rr2 h THR 60 Ca 0.00 -1.46 -0.01 0.00 -0.55 0.00 0.00 66.41 64.39 1rr2 h THR 60 Cb 0.65 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1rr2 h THR 60 CO 0.00 0.44 -0.12 0.22 -0.25 0.00 0.00 175.52 175.81 1rr2 h TYR 61 N 0.24 -0.32 -0.00 4.73 3.20 -1.75 0.11 116.97 123.18 1rr2 h TYR 61 Ca 0.03 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.91 1rr2 h TYR 61 Cb 0.79 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.13 1rr2 h TYR 61 CO 0.02 -0.18 -0.15 0.22 -1.64 0.00 0.00 178.16 176.43 1rr2 h ASP 62 N -0.38 -0.43 -0.94 -2.11 3.58 -1.82 -2.63 116.42 111.69 1rr2 h ASP 62 Ca -0.04 0.06 0.04 0.00 0.42 0.00 0.00 57.03 57.52 1rr2 h ASP 62 Cb 0.29 0.18 -0.06 0.00 1.72 0.00 0.00 39.33 41.46 1rr2 h ASP 62 CO 0.06 -0.21 0.61 -1.28 -2.88 0.00 0.00 179.24 175.54 1rr2 h SER 63 N -0.25 1.00 -0.12 2.28 0.87 -1.07 0.27 113.55 116.53 1rr2 h SER 63 Ca 0.05 -0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1rr2 h SER 63 Cb 0.31 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1rr2 h SER 63 CO -0.15 0.68 0.01 0.00 -0.53 0.00 0.00 176.83 176.84 1rr2 h ILE 65 N 0.05 1.25 0.03 0.00 3.07 -1.12 0.31 117.51 121.11 1rr2 h ILE 65 Ca 0.05 -2.96 -0.29 0.00 1.55 0.00 0.00 64.86 63.21 1rr2 h ILE 65 Cb 0.06 2.60 -0.04 0.00 -0.27 0.00 0.00 36.82 39.17 1rr2 h ILE 65 CO -0.08 0.71 -1.60 -0.09 -1.05 0.00 0.00 178.15 176.04 1rr2 h ARG 66 N 0.00 0.07 0.00 0.16 2.43 -0.45 -3.38 114.38 113.21 1rr2 h ARG 66 Ca -0.11 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1rr2 h ARG 66 Cb 1.80 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.40 1rr2 h ARG 66 CO 0.10 0.76 -0.92 1.19 -1.51 0.00 0.00 179.97 179.59 1rr2 n PHE 67 N -3.21 0.00 0.06 2.20 0.99 -0.07 -4.78 117.46 112.64 1rr2 n PHE 67 Ca -0.16 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.35 1rr2 n PHE 67 Cb 1.03 0.00 0.13 0.00 -1.00 0.00 0.00 39.48 39.64 1rr2 n PHE 67 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1rr2 n LEU 68 N -1.73 2.70 -4.18 4.37 4.77 -0.83 -4.79 117.00 117.31 1rr2 n LEU 68 Ca 0.00 -1.65 -0.33 0.00 -0.03 0.00 0.00 56.01 54.00 1rr2 n LEU 68 Cb 0.32 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 1rr2 n LEU 68 CO 0.00 0.63 -0.15 -3.20 -1.33 0.00 0.00 177.39 173.34 1rr2 n ASN 69 N 0.68 -1.81 -4.26 -1.43 5.15 -0.60 -0.78 115.26 112.20 1rr2 n ASN 69 Ca 0.11 -1.06 -0.28 0.00 -0.60 0.00 0.00 54.58 52.75 1rr2 n ASN 69 Cb 0.40 -2.63 -0.15 0.00 -0.53 0.00 0.00 39.78 36.87 1rr2 n ASN 69 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1rr2 s GLU 70 N -6.90 1.78 -0.33 1.20 2.12 1.00 -3.48 118.70 114.09 1rr2 s GLU 70 Ca 0.44 -0.84 -0.26 0.00 0.36 0.00 0.00 54.97 54.67 1rr2 s GLU 70 Cb -0.24 -1.76 0.01 0.00 0.26 0.00 0.00 34.13 32.40 1rr2 s GLU 70 CO 0.93 0.48 0.93 0.34 -0.54 0.00 0.00 175.26 177.40 1rr2 s ASP 71 N -0.65 6.76 0.29 -1.70 -1.08 -1.26 -3.26 116.67 115.77 1rr2 s ASP 71 Ca 0.09 0.76 0.03 0.00 -0.52 0.00 0.00 52.55 52.91 1rr2 s ASP 71 Cb -0.09 -2.47 0.65 0.00 -1.46 0.00 0.00 42.92 39.55 1rr2 s ASP 71 CO -0.00 -0.78 1.79 -0.65 0.52 0.00 0.00 175.17 176.05 1rr2 h PRO 72 N 8.23 0.80 -0.22 4.34 0.11 -1.91 0.54 132.00 143.88 1rr2 h PRO 72 Ca -0.23 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.76 1rr2 h PRO 72 Cb 1.08 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1rr2 h PRO 72 CO 0.96 0.53 -0.18 -1.49 -0.21 0.00 0.00 178.00 177.61 1rr2 h TRP 73 N 0.82 0.41 -0.11 0.65 4.06 -1.97 -1.21 115.95 118.60 1rr2 h TRP 73 Ca 0.54 -0.07 -0.16 0.00 2.06 0.00 0.00 58.89 61.26 1rr2 h TRP 73 Cb 0.73 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.78 1rr2 h TRP 73 CO -0.02 0.55 -0.62 1.49 -3.56 0.00 0.00 178.44 176.29 1rr2 h GLU 74 N 0.35 0.39 -0.68 0.49 4.57 -1.32 -1.75 114.58 116.62 1rr2 h GLU 74 Ca 0.06 -0.27 -0.02 0.00 -1.18 0.00 0.00 59.36 57.95 1rr2 h GLU 74 Cb 0.53 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.13 1rr2 h GLU 74 CO 0.03 0.88 0.35 -0.09 -1.18 0.00 0.00 179.01 179.01 1rr2 h ARG 75 N 0.28 0.97 -0.20 1.92 2.43 -0.68 -1.20 114.38 117.90 1rr2 h ARG 75 Ca -0.01 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1rr2 h ARG 75 Cb 1.15 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 1rr2 h ARG 75 CO 0.11 0.75 0.09 1.25 -1.51 0.00 0.00 179.97 180.66 1rr2 h LEU 76 N 0.94 0.26 -1.12 3.80 5.85 -1.04 -1.51 115.31 122.50 1rr2 h LEU 76 Ca 0.24 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1rr2 h LEU 76 Cb 0.08 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1rr2 h LEU 76 CO -0.03 0.31 0.48 0.03 -0.34 0.00 0.00 178.44 178.88 1rr2 h ARG 77 N 0.19 1.08 -0.24 1.25 3.08 -1.06 -0.37 114.38 118.31 1rr2 h ARG 77 Ca 0.07 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1rr2 h ARG 77 Cb 0.12 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1rr2 h ARG 77 CO -0.01 0.76 -0.09 1.15 -1.07 0.00 0.00 179.97 180.71 1rr2 h THR 78 N 1.10 1.29 -0.88 2.04 2.02 -0.99 -1.60 112.91 115.89 1rr2 h THR 78 Ca 0.29 -1.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.31 1rr2 h THR 78 Cb -0.04 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 1rr2 h THR 78 CO -0.05 0.36 0.49 -0.26 0.37 0.00 0.00 175.52 176.42 1rr2 h PHE 79 N 0.22 1.21 -0.93 3.16 0.05 -0.92 0.17 116.94 119.91 1rr2 h PHE 79 Ca 0.06 -0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.82 1rr2 h PHE 79 Cb 0.58 -0.39 -0.05 0.00 2.00 0.00 0.00 35.95 38.10 1rr2 h PHE 79 CO 0.06 0.83 0.57 -0.09 -0.18 0.00 0.00 178.31 179.50 1rr2 h ARG 80 N 1.23 1.25 0.01 1.51 9.65 -0.88 0.14 114.38 127.29 1rr2 h ARG 80 Ca 0.31 -0.11 -0.27 0.00 -1.10 0.00 0.00 59.98 58.82 1rr2 h ARG 80 Cb 0.02 -0.27 0.02 0.00 -1.39 0.00 0.00 29.97 28.36 1rr2 h ARG 80 CO -0.05 0.87 -1.06 -0.22 2.80 0.00 0.00 179.97 182.31 1rr2 h LYS 81 N 1.28 0.70 0.00 0.20 3.64 -0.62 -3.16 116.57 118.61 1rr2 h LYS 81 Ca 0.33 -0.77 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1rr2 h LYS 81 Cb -0.07 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1rr2 h LYS 81 CO -0.06 1.33 -0.05 -0.07 -2.27 0.00 0.00 179.45 178.33 1rr2 h LEU 82 N 0.38 0.00 -5.76 5.20 3.38 -0.47 -3.35 115.31 114.69 1rr2 h LEU 82 Ca -0.13 -0.01 -0.54 0.00 0.09 0.00 0.00 57.88 57.29 1rr2 h LEU 82 Cb 1.71 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 42.05 1rr2 h LEU 82 CO 0.21 0.01 -0.94 0.23 0.09 0.00 0.00 178.44 178.03 1rr2 n MET 83 N -2.54 1.88 0.32 1.13 2.81 0.02 -4.26 117.12 116.48 1rr2 n MET 83 Ca 0.05 -4.00 0.20 0.00 -1.81 0.00 0.00 57.70 52.13 1rr2 n MET 83 Cb 0.47 -1.89 1.07 0.00 -0.71 0.00 0.00 33.22 32.16 1rr2 n MET 83 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1rr2 h PRO 84 N 3.19 0.00 -0.29 0.03 0.13 -1.69 -2.67 132.00 130.70 1rr2 h PRO 84 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1rr2 h PRO 84 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1rr2 h PRO 84 CO 0.64 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.50 1rr2 n ASN 85 N -3.38 3.19 -4.83 1.44 3.02 -1.26 -4.98 115.26 108.45 1rr2 n ASN 85 Ca -0.03 -1.93 -0.27 0.00 -0.03 0.00 0.00 54.58 52.33 1rr2 n ASN 85 Cb 0.11 -0.18 -0.05 0.00 -0.61 0.00 0.00 39.78 39.05 1rr2 n ASN 85 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1rr2 s SER 86 N -1.46 5.73 -0.42 6.41 0.01 -1.01 -5.06 113.70 117.90 1rr2 s SER 86 Ca 0.33 -0.04 -0.25 0.00 1.31 0.00 0.00 55.95 57.29 1rr2 s SER 86 Cb 0.20 -1.56 0.02 0.00 0.21 0.00 0.00 66.02 64.89 1rr2 s SER 86 CO 0.28 0.07 0.89 -0.13 0.41 0.00 0.00 173.24 174.77 1rr2 s ARG 87 N -3.08 3.64 0.29 12.44 0.52 -1.26 -4.97 118.95 126.52 1rr2 s ARG 87 Ca 0.32 0.27 -0.26 0.00 -0.52 0.00 0.00 55.73 55.53 1rr2 s ARG 87 Cb -0.10 -3.88 -0.09 0.00 0.52 0.00 0.00 34.95 31.39 1rr2 s ARG 87 CO 0.25 -1.09 0.91 -0.51 0.02 0.00 0.00 175.30 174.88 1rr2 s LEU 88 N 3.54 4.42 0.10 2.53 1.43 -1.26 -0.36 118.68 129.08 1rr2 s LEU 88 Ca 0.36 1.81 0.06 0.00 -1.03 0.00 0.00 54.13 55.32 1rr2 s LEU 88 Cb -0.11 -3.84 -0.03 0.00 0.03 0.00 0.00 46.19 42.23 1rr2 s LEU 88 CO 0.23 0.01 -0.16 -1.58 0.23 0.00 0.00 176.35 175.08 1rr2 s GLN 89 N -1.80 0.97 0.16 1.70 0.74 -0.03 -0.41 119.66 120.98 1rr2 s GLN 89 Ca 0.47 -1.11 -0.02 0.00 0.05 0.00 0.00 55.36 54.74 1rr2 s GLN 89 Cb -0.20 -0.98 -0.03 0.00 1.10 0.00 0.00 33.01 32.89 1rr2 s GLN 89 CO 0.25 0.21 0.13 0.00 -0.55 0.00 0.00 175.29 175.33 1rr2 s MET 90 N -2.15 1.07 -0.19 1.67 0.23 -0.60 -1.36 119.30 117.97 1rr2 s MET 90 Ca 0.04 -1.46 -0.03 0.00 -1.03 0.00 0.00 55.69 53.21 1rr2 s MET 90 Cb -0.08 0.28 -0.02 0.00 -1.53 0.00 0.00 34.83 33.48 1rr2 s MET 90 CO 0.03 -0.34 -0.05 -1.17 -2.03 0.00 0.00 175.02 171.47 1rr2 s LEU 91 N -3.07 3.02 -0.10 0.18 2.96 -1.14 -1.36 118.68 119.17 1rr2 s LEU 91 Ca 0.28 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 1rr2 s LEU 91 Cb 0.06 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 45.02 1rr2 s LEU 91 CO 0.05 0.06 -0.13 -0.22 -1.32 0.00 0.00 176.35 174.80 1rr2 s LEU 92 N 0.98 1.58 -1.39 -0.68 2.96 0.03 -1.74 118.68 120.43 1rr2 s LEU 92 Ca 0.00 -0.36 -0.08 0.00 -0.22 0.00 0.00 54.13 53.47 1rr2 s LEU 92 Cb -0.15 -0.96 0.08 0.00 0.50 0.00 0.00 46.19 45.67 1rr2 s LEU 92 CO 0.01 -0.01 2.35 -1.14 -1.32 0.00 0.00 176.35 176.24 1rr2 n ARG 93 N 4.25 3.95 0.00 1.98 0.63 -0.66 -1.33 116.66 125.48 1rr2 n ARG 93 Ca -0.19 -3.12 0.00 0.00 -0.92 0.00 0.00 57.85 53.62 1rr2 n ARG 93 Cb 0.51 -2.82 0.00 0.00 0.45 0.00 0.00 32.46 30.60 1rr2 n ARG 93 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rr2 n GLY 94 N 2.67 2.73 0.17 5.14 0.00 -0.26 -1.27 105.19 114.36 1rr2 n GLY 94 Ca 0.58 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.75 1rr2 n GLY 94 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1rr2 h GLN 95 N 0.00 0.00 0.00 1.61 5.75 -1.35 0.72 115.11 121.84 1rr2 h GLN 95 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1rr2 h GLN 95 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1rr2 h GLN 95 CO 0.00 0.00 -0.46 0.09 -2.65 0.00 0.00 178.83 175.81 1rr2 n ASN 96 N -2.35 0.71 0.00 -0.69 3.02 -0.40 -1.51 115.26 114.04 1rr2 n ASN 96 Ca 0.00 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 1rr2 n ASN 96 Cb 0.13 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 1rr2 n ASN 96 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1rr2 n LEU 97 N -2.12 0.00 -0.36 3.41 4.77 0.24 -0.27 117.00 122.67 1rr2 n LEU 97 Ca 0.04 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.06 1rr2 n LEU 97 Cb 0.43 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.63 1rr2 n LEU 97 CO 0.35 0.00 0.58 0.18 -1.33 0.00 0.00 177.39 177.17 1rr2 n LEU 98 N 0.00 2.62 0.00 2.23 4.77 -1.26 -1.65 117.00 123.71 1rr2 n LEU 98 Ca 0.00 -2.25 0.00 0.00 -0.03 0.00 0.00 56.01 53.73 1rr2 n LEU 98 Cb 0.00 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1rr2 n LEU 98 CO 0.00 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1rr2 n GLY 99 N -0.23 0.58 0.60 -0.72 0.00 0.62 -4.88 105.19 101.16 1rr2 n GLY 99 Ca 0.09 -1.91 0.12 0.00 0.00 0.00 0.00 46.02 44.32 1rr2 n GLY 99 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1rr2 n TYR 100 N -1.11 0.00 -3.91 1.61 0.18 -1.26 -4.97 117.16 107.69 1rr2 n TYR 100 Ca 0.00 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.67 1rr2 n TYR 100 Cb 0.00 -0.02 -0.00 0.00 -0.38 0.00 0.00 39.34 38.94 1rr2 n TYR 100 CO 0.00 0.00 0.00 -0.98 -2.08 0.00 0.00 176.86 173.80 1rr2 s ARG 101 N -2.31 2.07 0.35 -3.48 1.70 -1.26 -5.14 118.95 110.89 1rr2 s ARG 101 Ca 0.23 -1.51 -0.26 0.00 -0.47 0.00 0.00 55.73 53.73 1rr2 s ARG 101 Cb 0.19 0.56 -0.09 0.00 -0.57 0.00 0.00 34.95 35.03 1rr2 s ARG 101 CO 0.47 -0.93 1.03 -1.01 -1.08 0.00 0.00 175.30 173.78 1rr2 s HIS 102 N -2.74 3.46 0.31 5.89 3.76 -1.26 -4.15 115.29 120.57 1rr2 s HIS 102 Ca 0.21 1.70 0.10 0.00 -0.15 0.00 0.00 55.06 56.92 1rr2 s HIS 102 Cb -0.03 -3.10 -0.05 0.00 1.11 0.00 0.00 32.58 30.50 1rr2 s HIS 102 CO 0.14 -0.35 -0.08 0.71 -0.85 0.00 0.00 174.74 174.30 1rr2 s TYR 103 N -1.54 2.45 0.56 1.40 1.51 -0.57 -4.96 117.35 116.20 1rr2 s TYR 103 Ca 0.53 -0.39 -0.20 0.00 -1.01 0.00 0.00 57.07 55.99 1rr2 s TYR 103 Cb -0.23 -1.27 -0.04 0.00 -0.11 0.00 0.00 41.96 40.31 1rr2 s TYR 103 CO 0.29 0.60 1.26 1.21 -1.11 0.00 0.00 175.55 177.81 1rr2 s ASN 104 N -3.62 5.29 0.52 2.29 3.84 -1.26 -4.85 114.94 117.15 1rr2 s ASN 104 Ca 0.32 2.54 0.31 0.00 0.21 0.00 0.00 52.86 56.24 1rr2 s ASN 104 Cb -0.02 -2.61 1.45 0.00 -0.55 0.00 0.00 41.25 39.51 1rr2 s ASN 104 CO 0.17 -1.53 1.85 0.44 -2.79 0.00 0.00 177.10 175.24 1rr2 h ASP 105 N 1.23 0.07 0.48 -4.21 3.32 -1.89 -0.16 116.42 115.24 1rr2 h ASP 105 Ca -0.50 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.45 1rr2 h ASP 105 Cb 1.30 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 1rr2 h ASP 105 CO 0.56 0.02 -0.50 1.05 -1.72 0.00 0.00 179.24 178.65 1rr2 h GLU 106 N 0.06 0.02 -0.25 3.56 4.11 -1.97 -0.92 114.58 119.21 1rr2 h GLU 106 Ca 0.49 -0.01 -0.17 0.00 0.07 0.00 0.00 59.36 59.74 1rr2 h GLU 106 Cb 1.83 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.08 1rr2 h GLU 106 CO -0.04 0.52 -0.51 0.28 0.07 0.00 0.00 179.01 179.32 1rr2 h VAL 107 N 0.02 1.30 -0.53 -1.06 2.07 -1.37 -1.66 116.25 115.02 1rr2 h VAL 107 Ca -0.00 -1.72 -0.03 0.00 0.82 0.00 0.00 66.70 65.77 1rr2 h VAL 107 Cb 0.89 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 1rr2 h VAL 107 CO 0.07 0.55 0.22 0.58 0.02 0.00 0.00 177.57 179.01 1rr2 h VAL 108 N 0.55 1.21 -0.31 2.57 2.07 -1.35 -0.32 116.25 120.67 1rr2 h VAL 108 Ca 0.02 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.93 1rr2 h VAL 108 Cb 1.08 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1rr2 h VAL 108 CO 0.11 0.25 0.15 0.44 0.02 0.00 0.00 177.57 178.53 1rr2 h ASP 109 N 0.71 0.22 0.07 0.57 3.32 -1.05 -1.42 116.42 118.84 1rr2 h ASP 109 Ca 0.18 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.25 1rr2 h ASP 109 Cb 0.17 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1rr2 h ASP 109 CO -0.02 0.16 -0.13 0.03 -1.72 0.00 0.00 179.24 177.57 1rr2 h ARG 110 N 0.32 -0.25 0.08 3.56 2.47 -0.93 -0.84 114.38 118.79 1rr2 h ARG 110 Ca 0.13 0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.88 1rr2 h ARG 110 Cb 0.05 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 1rr2 h ARG 110 CO -0.10 -0.17 -0.11 0.35 0.56 0.00 0.00 179.97 180.51 1rr2 h PHE 111 N -0.26 -0.28 -0.57 3.04 3.57 -0.81 -1.14 116.94 120.50 1rr2 h PHE 111 Ca 0.02 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1rr2 h PHE 111 Cb 0.28 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 1rr2 h PHE 111 CO -0.15 -0.17 0.26 0.28 -2.23 0.00 0.00 178.31 176.30 1rr2 h VAL 112 N -0.23 1.21 -0.27 1.41 2.07 -1.19 0.28 116.25 119.52 1rr2 h VAL 112 Ca 0.01 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 66.97 1rr2 h VAL 112 Cb 0.23 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1rr2 h VAL 112 CO -0.05 0.24 0.03 -0.78 0.02 0.00 0.00 177.57 177.04 1rr2 h ASP 113 N 0.77 -0.03 0.39 0.57 1.82 -0.91 0.43 116.42 119.46 1rr2 h ASP 113 Ca 0.19 0.05 -0.12 0.00 -0.39 0.00 0.00 57.03 56.76 1rr2 h ASP 113 Cb 0.14 0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.21 1rr2 h ASP 113 CO -0.02 0.02 -0.51 0.11 -1.61 0.00 0.00 179.24 177.23 1rr2 h LYS 114 N 0.13 0.14 -0.02 0.28 1.79 -0.94 0.09 116.57 118.05 1rr2 h LYS 114 Ca 0.13 -0.08 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1rr2 h LYS 114 Cb 0.15 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1rr2 h LYS 114 CO -0.18 0.62 0.00 0.77 -1.08 0.00 0.00 179.45 179.58 1rr2 h SER 115 N 0.11 0.03 -0.50 0.86 0.02 -0.24 -0.67 113.55 113.16 1rr2 h SER 115 Ca 0.00 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.69 1rr2 h SER 115 Cb 0.94 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 1rr2 h SER 115 CO 0.07 0.26 0.21 0.00 -1.14 0.00 0.00 176.83 176.23 1rr2 h ALA 116 N 0.77 0.65 -0.67 3.77 0.00 -0.85 -1.37 119.26 121.56 1rr2 h ALA 116 Ca 0.01 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1rr2 h ALA 116 Cb 0.24 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1rr2 h ALA 116 CO 0.00 0.26 0.44 1.49 0.00 0.00 0.00 179.25 181.44 1rr2 h GLU 117 N 0.67 0.85 -0.10 0.00 4.81 -0.87 -0.81 114.58 119.13 1rr2 h GLU 117 Ca 0.17 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1rr2 h GLU 117 Cb 0.19 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1rr2 h GLU 117 CO -0.01 0.56 0.00 0.09 -0.73 0.00 0.00 179.01 178.92 1rr2 n ASN 118 N -4.44 1.13 0.00 1.04 3.02 -0.27 -4.92 115.26 110.82 1rr2 n ASN 118 Ca 0.07 -1.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.05 1rr2 n ASN 118 Cb 0.07 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1rr2 n ASN 118 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rr2 n GLY 119 N 1.04 0.98 3.75 7.41 0.00 -0.31 -4.42 105.19 113.63 1rr2 n GLY 119 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1rr2 n GLY 119 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1rr2 s MET 120 N -0.20 4.39 -0.19 1.61 0.00 -0.55 -4.69 119.30 119.68 1rr2 s MET 120 Ca 0.00 2.09 -0.10 0.00 0.00 0.00 0.00 55.69 57.68 1rr2 s MET 120 Cb 0.00 -3.16 -0.08 0.00 0.00 0.00 0.00 34.83 31.59 1rr2 s MET 120 CO 0.00 -0.21 -0.25 -0.25 0.00 0.00 0.00 175.02 174.32 1rr2 n ASP 121 N 2.02 1.35 -4.33 1.11 8.00 -0.81 -4.46 116.55 119.43 1rr2 n ASP 121 Ca 0.04 0.23 -0.34 0.00 0.71 0.00 0.00 54.79 55.44 1rr2 n ASP 121 Cb 0.42 -0.56 -0.14 0.00 -0.02 0.00 0.00 41.12 40.82 1rr2 n ASP 121 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1rr2 s VAL 122 N -2.36 3.16 -0.34 2.53 1.01 0.45 -1.18 120.40 123.68 1rr2 s VAL 122 Ca -0.27 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 1rr2 s VAL 122 Cb 0.10 -2.38 0.04 0.00 0.00 0.00 0.00 36.38 34.14 1rr2 s VAL 122 CO 0.34 0.48 0.10 -0.36 0.00 0.00 0.00 175.10 175.66 1rr2 s PHE 123 N 0.89 3.25 -0.63 5.22 0.40 -0.06 -1.56 117.98 125.49 1rr2 s PHE 123 Ca -0.02 -1.39 -0.23 0.00 -0.60 0.00 0.00 56.93 54.69 1rr2 s PHE 123 Cb -0.15 -2.28 0.06 0.00 0.51 0.00 0.00 43.02 41.17 1rr2 s PHE 123 CO 0.00 -0.72 0.95 0.50 0.70 0.00 0.00 175.22 176.65 1rr2 s ARG 124 N 1.41 3.16 -0.14 0.44 3.52 -0.46 -0.86 118.95 126.02 1rr2 s ARG 124 Ca -0.01 -0.69 -0.15 0.00 -0.13 0.00 0.00 55.73 54.75 1rr2 s ARG 124 Cb -0.19 -4.18 -0.05 0.00 -1.56 0.00 0.00 34.95 28.97 1rr2 s ARG 124 CO 0.03 -1.72 0.35 0.08 -0.81 0.00 0.00 175.30 173.23 1rr2 s VAL 125 N 4.01 5.26 0.14 7.11 1.01 -0.20 -0.79 120.40 136.94 1rr2 s VAL 125 Ca 0.24 0.67 -0.05 0.00 0.00 0.00 0.00 61.98 62.84 1rr2 s VAL 125 Cb -0.16 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1rr2 s VAL 125 CO 0.12 0.38 0.16 0.72 0.00 0.00 0.00 175.10 176.48 1rr2 s PHE 126 N 0.41 0.58 -0.04 5.22 -0.12 -0.44 -1.27 117.98 122.32 1rr2 s PHE 126 Ca 0.19 -0.97 0.01 0.00 -0.05 0.00 0.00 56.93 56.12 1rr2 s PHE 126 Cb -0.14 -0.26 0.02 0.00 -0.63 0.00 0.00 43.02 42.01 1rr2 s PHE 126 CO 0.06 -0.59 -0.06 0.34 -0.05 0.00 0.00 175.22 174.92 1rr2 s ASP 127 N -2.99 1.03 0.49 1.98 2.15 -1.26 -1.11 116.67 116.96 1rr2 s ASP 127 Ca 0.18 -0.15 0.18 0.00 0.43 0.00 0.00 52.55 53.19 1rr2 s ASP 127 Cb 0.06 -0.44 1.20 0.00 -0.30 0.00 0.00 42.92 43.44 1rr2 s ASP 127 CO -0.01 -0.02 2.03 0.00 -0.17 0.00 0.00 175.17 177.00 1rr2 h ALA 128 N 6.94 2.17 -0.02 3.66 0.00 -1.93 0.07 119.26 130.15 1rr2 h ALA 128 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1rr2 h ALA 128 Cb 1.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1rr2 h ALA 128 CO 0.48 -0.28 -0.17 -1.33 0.00 0.00 0.00 179.25 177.95 1rr2 n MET 129 N -4.45 1.47 -2.53 0.00 2.81 -1.26 -3.93 117.12 109.23 1rr2 n MET 129 Ca 0.07 -1.04 -0.17 0.00 -1.81 0.00 0.00 57.70 54.75 1rr2 n MET 129 Cb 0.38 -1.48 0.01 0.00 -0.71 0.00 0.00 33.22 31.42 1rr2 n MET 129 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1rr2 n ASN 130 N 0.14 -5.05 -4.52 7.83 3.02 0.01 -4.33 115.26 112.35 1rr2 n ASN 130 Ca 0.14 -0.10 -0.43 0.00 -0.03 0.00 0.00 54.58 54.16 1rr2 n ASN 130 Cb 0.43 -4.05 -0.05 0.00 -0.61 0.00 0.00 39.78 35.50 1rr2 n ASN 130 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1rr2 s ASP 131 N -2.45 6.37 0.57 6.41 -1.08 -1.26 -4.93 116.67 120.30 1rr2 s ASP 131 Ca 0.09 -0.28 0.27 0.00 -0.52 0.00 0.00 52.55 52.12 1rr2 s ASP 131 Cb -0.04 -2.39 1.52 0.00 -1.46 0.00 0.00 42.92 40.54 1rr2 s ASP 131 CO 0.12 -1.02 2.01 -0.65 0.52 0.00 0.00 175.17 176.15 1rr2 h PRO 132 N 9.10 0.00 0.00 4.34 0.11 -1.95 -1.15 132.00 142.44 1rr2 h PRO 132 Ca -0.25 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.80 1rr2 h PRO 132 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1rr2 h PRO 132 CO 1.01 0.00 -0.27 0.00 -0.21 0.00 0.00 178.00 178.53 1rr2 h ARG 133 N 0.00 0.00 -0.00 1.05 3.08 -2.00 -1.28 114.38 115.23 1rr2 h ARG 133 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1rr2 h ARG 133 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1rr2 h ARG 133 CO -0.00 0.27 -0.09 0.09 -1.07 0.00 0.00 179.97 179.16 1rr2 n ASN 134 N -3.71 0.10 -0.04 7.04 3.02 -0.44 -3.40 115.26 117.83 1rr2 n ASN 134 Ca -0.01 0.29 0.01 0.00 -0.03 0.00 0.00 54.58 54.84 1rr2 n ASN 134 Cb 0.38 -0.34 -0.14 0.00 -0.61 0.00 0.00 39.78 39.07 1rr2 n ASN 134 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1rr2 n MET 135 N -1.47 0.87 -0.11 3.52 2.81 -0.80 -0.95 117.12 120.99 1rr2 n MET 135 Ca 0.07 -0.09 -0.09 0.00 -1.81 0.00 0.00 57.70 55.78 1rr2 n MET 135 Cb 0.33 -1.43 -0.03 0.00 -0.71 0.00 0.00 33.22 31.38 1rr2 n MET 135 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1rr2 h ALA 136 N 1.29 -0.30 -0.44 3.04 0.00 -1.28 -0.82 119.26 120.75 1rr2 h ALA 136 Ca -0.21 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1rr2 h ALA 136 Cb 1.38 0.77 -0.01 0.00 0.00 0.00 0.00 17.79 19.93 1rr2 h ALA 136 CO 0.01 -0.79 -0.07 1.25 0.00 0.00 0.00 179.25 179.66 1rr2 h HIS 137 N -0.30 0.91 -0.50 0.00 6.17 -1.84 -1.52 115.15 118.08 1rr2 h HIS 137 Ca 0.15 -0.18 0.03 0.00 0.71 0.00 0.00 60.37 61.08 1rr2 h HIS 137 Cb 0.56 -0.23 -0.04 0.00 2.52 0.00 0.00 27.41 30.23 1rr2 h HIS 137 CO -0.56 0.91 0.28 0.00 0.71 0.00 0.00 177.93 179.28 1rr2 h ALA 138 N 0.88 0.64 -0.57 5.26 0.00 -1.78 -0.23 119.26 123.46 1rr2 h ALA 138 Ca 0.12 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1rr2 h ALA 138 Cb 0.59 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1rr2 h ALA 138 CO 0.04 -0.03 0.28 0.52 0.00 0.00 0.00 179.25 180.06 1rr2 h MET 139 N 0.56 0.51 -0.71 0.00 2.86 -0.87 -0.11 114.93 117.19 1rr2 h MET 139 Ca 0.21 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.75 1rr2 h MET 139 Cb 0.05 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 1rr2 h MET 139 CO -0.11 0.34 0.18 0.00 1.06 0.00 0.00 176.91 178.38 1rr2 h ALA 140 N 1.33 0.99 -0.65 6.32 0.00 -0.68 -1.91 119.26 124.66 1rr2 h ALA 140 Ca 0.26 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1rr2 h ALA 140 Cb 0.20 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1rr2 h ALA 140 CO -0.20 0.66 0.16 0.00 0.00 0.00 0.00 179.25 179.87 1rr2 h ALA 141 N 1.13 1.05 -0.74 0.00 0.00 0.10 -0.99 119.26 119.81 1rr2 h ALA 141 Ca 0.22 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1rr2 h ALA 141 Cb 0.35 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1rr2 h ALA 141 CO -0.00 0.62 0.26 0.28 0.00 0.00 0.00 179.25 180.41 1rr2 h VAL 142 N 0.97 1.26 -0.46 0.00 2.07 -0.70 -2.06 116.25 117.34 1rr2 h VAL 142 Ca 0.21 -0.86 -0.09 0.00 0.82 0.00 0.00 66.70 66.77 1rr2 h VAL 142 Cb 0.35 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1rr2 h VAL 142 CO 0.00 0.34 -0.08 0.11 0.02 0.00 0.00 177.57 177.96 1rr2 h LYS 143 N 1.08 0.86 -0.92 1.57 1.79 -0.95 -0.92 116.57 119.08 1rr2 h LYS 143 Ca 0.24 -0.32 0.03 0.00 -2.18 0.00 0.00 60.65 58.42 1rr2 h LYS 143 Cb 0.27 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 30.81 1rr2 h LYS 143 CO -0.01 0.95 0.60 -0.22 -1.08 0.00 0.00 179.45 179.69 1rr2 h LYS 144 N 0.70 1.15 0.00 3.15 3.64 -0.89 0.12 116.57 124.44 1rr2 h LYS 144 Ca 0.12 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1rr2 h LYS 144 Cb 0.61 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1rr2 h LYS 144 CO 0.04 0.76 0.00 0.00 -2.27 0.00 0.00 179.45 177.98 1rr2 n ALA 145 N -2.35 2.33 -1.72 5.00 0.00 -0.80 -4.87 120.51 118.10 1rr2 n ALA 145 Ca 0.12 -0.14 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 1rr2 n ALA 145 Cb 0.07 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 1rr2 n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rr2 n GLY 146 N 0.47 0.68 4.03 0.00 0.00 0.40 -5.02 105.19 105.75 1rr2 n GLY 146 Ca 0.16 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 1rr2 n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rr2 s LYS 147 N -3.67 2.28 -0.36 1.61 -0.14 -0.38 -5.02 119.74 114.07 1rr2 s LYS 147 Ca 0.00 -1.68 -0.22 0.00 -1.36 0.00 0.00 55.97 52.71 1rr2 s LYS 147 Cb 0.00 -2.62 0.01 0.00 -1.68 0.00 0.00 37.83 33.53 1rr2 s LYS 147 CO 0.00 -0.89 0.71 -1.58 -0.76 0.00 0.00 175.35 172.84 1rr2 s HIS 148 N -2.69 3.13 -0.36 3.18 2.46 -0.33 -4.47 115.29 116.22 1rr2 s HIS 148 Ca 0.61 0.46 -0.18 0.00 0.47 0.00 0.00 55.06 56.43 1rr2 s HIS 148 Cb -0.05 -3.26 -0.00 0.00 -0.13 0.00 0.00 32.58 29.13 1rr2 s HIS 148 CO 0.39 -0.67 0.48 0.00 -2.47 0.00 0.00 174.74 172.47 1rr2 s ALA 149 N 2.90 3.47 -0.41 1.58 0.00 -1.26 -0.88 121.76 127.16 1rr2 s ALA 149 Ca 0.28 -1.09 -0.07 0.00 0.00 0.00 0.00 51.96 51.08 1rr2 s ALA 149 Cb -0.14 -2.99 0.09 0.00 0.00 0.00 0.00 23.12 20.08 1rr2 s ALA 149 CO 0.16 -1.24 0.24 -1.14 0.00 0.00 0.00 175.76 173.77 1rr2 s GLN 150 N 2.32 2.41 0.33 0.00 0.74 -0.04 0.44 119.66 125.86 1rr2 s GLN 150 Ca 0.17 -1.59 -0.28 0.00 0.05 0.00 0.00 55.36 53.71 1rr2 s GLN 150 Cb -0.16 -3.70 -0.09 0.00 1.10 0.00 0.00 33.01 30.16 1rr2 s GLN 150 CO 0.13 -1.00 1.17 0.20 -0.55 0.00 0.00 175.29 175.25 1rr2 s GLY 151 N 2.06 2.98 -0.02 2.59 0.00 -0.85 -1.03 107.32 113.06 1rr2 s GLY 151 Ca 0.04 1.01 0.05 0.00 0.00 0.00 0.00 44.72 45.82 1rr2 s GLY 151 CO -0.00 1.59 -0.18 -1.59 0.00 0.00 0.00 173.10 172.92 1rr2 s THR 152 N -1.25 2.78 -0.28 0.90 2.01 -0.40 -0.28 115.64 119.13 1rr2 s THR 152 Ca 0.50 -0.93 -0.05 0.00 0.31 0.00 0.00 61.69 61.52 1rr2 s THR 152 Cb -0.33 -2.09 0.02 0.00 0.01 0.00 0.00 72.50 70.10 1rr2 s THR 152 CO 0.43 0.52 0.03 -0.63 -0.69 0.00 0.00 174.62 174.28 1rr2 s ILE 153 N -0.76 3.52 -0.31 1.82 1.01 0.94 -4.68 121.20 122.74 1rr2 s ILE 153 Ca 0.12 -0.88 -0.29 0.00 0.00 0.00 0.00 60.65 59.60 1rr2 s ILE 153 Cb -0.10 -2.83 0.01 0.00 0.01 0.00 0.00 42.46 39.55 1rr2 s ILE 153 CO 0.02 0.09 1.11 0.00 0.00 0.00 0.00 174.94 176.16 1rr2 s TYR 155 N 3.75 3.91 0.25 0.00 5.04 0.13 -4.96 117.35 125.47 1rr2 s TYR 155 Ca 0.47 1.87 -0.15 0.00 -2.44 0.00 0.00 57.07 56.82 1rr2 s TYR 155 Cb -0.13 -3.04 0.00 0.00 0.35 0.00 0.00 41.96 39.15 1rr2 s TYR 155 CO 0.16 0.27 0.53 -0.08 -1.34 0.00 0.00 175.55 175.10 1rr2 s THR 156 N -1.06 0.00 -0.15 4.34 -1.32 -1.26 -4.70 115.64 111.48 1rr2 s THR 156 Ca 0.42 -1.28 0.01 0.00 -1.21 0.00 0.00 61.69 59.63 1rr2 s THR 156 Cb -0.27 -2.12 0.00 0.00 -1.51 0.00 0.00 72.50 68.61 1rr2 s THR 156 CO 0.33 -0.01 -0.17 -0.63 -2.21 0.00 0.00 174.62 171.93 1rr2 s ILE 157 N -3.99 2.46 0.20 5.08 1.01 -1.26 -4.92 121.20 119.77 1rr2 s ILE 157 Ca 0.19 -0.84 -0.23 0.00 0.00 0.00 0.00 60.65 59.77 1rr2 s ILE 157 Cb -0.02 -2.02 0.05 0.00 0.01 0.00 0.00 42.46 40.48 1rr2 s ILE 157 CO 0.08 0.52 0.74 -0.94 0.00 0.00 0.00 174.94 175.34 1rr2 s SER 158 N 0.87 -0.35 0.34 3.58 1.04 -1.26 -5.00 113.70 112.93 1rr2 s SER 158 Ca -0.05 -0.35 0.24 0.00 0.48 0.00 0.00 55.95 56.27 1rr2 s SER 158 Cb -0.15 0.62 1.25 0.00 0.10 0.00 0.00 66.02 67.84 1rr2 s SER 158 CO -0.02 -1.10 1.72 -0.65 0.98 0.00 0.00 173.24 174.18 1rr2 h PRO 159 N 2.00 0.00 -0.01 4.02 0.11 -1.99 -2.27 132.00 133.87 1rr2 h PRO 159 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1rr2 h PRO 159 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1rr2 h PRO 159 CO 0.28 0.00 -0.25 1.33 -0.21 0.00 0.00 178.00 179.15 1rr2 n VAL 160 N -2.33 0.00 -3.31 3.15 0.24 -1.26 -4.93 118.33 109.89 1rr2 n VAL 160 Ca -0.01 -0.37 -0.39 0.00 -2.04 0.00 0.00 64.34 61.53 1rr2 n VAL 160 Cb 0.06 1.12 -0.07 0.00 -1.47 0.00 0.00 33.84 33.48 1rr2 n VAL 160 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1rr2 s HIS 161 N -1.51 3.34 0.18 6.34 3.76 -0.86 -4.92 115.29 121.63 1rr2 s HIS 161 Ca 0.09 0.65 -0.00 0.00 -0.15 0.00 0.00 55.06 55.65 1rr2 s HIS 161 Cb 0.09 -2.62 -0.04 0.00 1.11 0.00 0.00 32.58 31.12 1rr2 s HIS 161 CO 0.29 -0.12 0.08 0.95 -0.85 0.00 0.00 174.74 175.10 1rr2 s THR 162 N 1.70 0.22 0.23 1.30 -4.23 -1.26 -4.62 115.64 108.98 1rr2 s THR 162 Ca 0.21 -1.97 -0.08 0.00 -1.18 0.00 0.00 61.69 58.67 1rr2 s THR 162 Cb -0.15 -2.31 0.21 0.00 1.34 0.00 0.00 72.50 71.59 1rr2 s THR 162 CO 0.09 -0.23 1.90 0.58 -0.54 0.00 0.00 174.62 176.42 1rr2 h VAL 163 N 2.68 1.23 -0.79 2.29 2.07 -1.98 -1.59 116.25 120.15 1rr2 h VAL 163 Ca -0.36 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1rr2 h VAL 163 Cb 1.23 -0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1rr2 h VAL 163 CO 0.58 0.22 0.44 -0.33 0.02 0.00 0.00 177.57 178.50 1rr2 h GLU 164 N 1.21 1.10 -0.57 1.57 3.07 -1.99 -0.29 114.58 118.68 1rr2 h GLU 164 Ca 0.33 -0.12 -0.05 0.00 -0.50 0.00 0.00 59.36 59.02 1rr2 h GLU 164 Cb -0.13 -0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 27.53 1rr2 h GLU 164 CO -0.07 0.81 0.17 0.78 -1.40 0.00 0.00 179.01 179.30 1rr2 h GLY 165 N 1.10 0.93 0.99 -3.84 0.00 -1.67 -1.33 103.07 99.24 1rr2 h GLY 165 Ca 0.28 -0.52 -0.14 0.00 0.00 0.00 0.00 47.33 46.95 1rr2 h GLY 165 CO -0.05 0.49 -0.39 -0.97 0.00 0.00 0.00 176.54 175.62 1rr2 h TYR 166 N 0.84 0.88 -0.97 5.60 0.99 -0.74 -1.60 116.97 121.97 1rr2 h TYR 166 Ca 0.19 -0.30 0.01 0.00 2.00 0.00 0.00 58.73 60.64 1rr2 h TYR 166 Cb 0.26 -0.17 -0.05 0.00 1.00 0.00 0.00 36.73 37.77 1rr2 h TYR 166 CO 0.02 1.07 0.64 0.28 -0.00 0.00 0.00 178.16 180.16 1rr2 h VAL 167 N 0.44 1.23 -0.36 -2.88 2.07 -0.85 0.25 116.25 116.15 1rr2 h VAL 167 Ca 0.02 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1rr2 h VAL 167 Cb 0.98 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1rr2 h VAL 167 CO 0.09 0.24 0.19 0.50 0.02 0.00 0.00 177.57 178.60 1rr2 h LYS 168 N 1.29 0.52 -0.45 1.57 3.64 -1.07 -1.73 116.57 120.34 1rr2 h LYS 168 Ca 0.36 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.58 1rr2 h LYS 168 Cb -0.12 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.58 1rr2 h LYS 168 CO -0.09 0.45 -0.08 1.25 -2.27 0.00 0.00 179.45 178.71 1rr2 h LEU 169 N 0.46 0.78 -0.66 5.20 6.46 -0.67 -1.95 115.31 124.92 1rr2 h LEU 169 Ca 0.13 -0.22 0.04 0.00 -0.12 0.00 0.00 57.88 57.70 1rr2 h LEU 169 Cb 0.09 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 39.77 1rr2 h LEU 169 CO -0.02 0.89 0.40 0.00 -0.62 0.00 0.00 178.44 179.09 1rr2 h ALA 170 N 1.18 0.87 -0.76 1.25 0.00 -0.57 -0.15 119.26 121.08 1rr2 h ALA 170 Ca 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1rr2 h ALA 170 Cb 0.56 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1rr2 h ALA 170 CO 0.03 0.13 0.38 0.78 0.00 0.00 0.00 179.25 180.57 1rr2 h GLY 171 N 0.76 1.16 1.43 0.00 0.00 -0.86 -0.12 103.07 105.44 1rr2 h GLY 171 Ca 0.27 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 1rr2 h GLY 171 CO -0.13 0.54 0.07 1.46 0.00 0.00 0.00 176.54 178.48 1rr2 h GLN 172 N 1.06 0.71 -0.34 4.80 4.20 -0.61 0.26 115.11 125.19 1rr2 h GLN 172 Ca 0.26 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.74 1rr2 h GLN 172 Cb 0.10 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1rr2 h GLN 172 CO -0.04 0.68 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.64 1rr2 h LEU 173 N 0.69 0.67 -1.32 1.46 3.38 -0.30 -2.65 115.31 117.23 1rr2 h LEU 173 Ca 0.15 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1rr2 h LEU 173 Cb 0.32 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1rr2 h LEU 173 CO 0.00 0.89 -0.03 -0.07 0.09 0.00 0.00 178.44 179.32 1rr2 h LEU 174 N 0.45 0.39 -1.51 1.67 3.38 -0.62 -1.35 115.31 117.71 1rr2 h LEU 174 Ca 0.08 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1rr2 h LEU 174 Cb 0.60 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1rr2 h LEU 174 CO 0.04 0.48 0.00 0.44 0.09 0.00 0.00 178.44 179.48 1rr2 h ASP 175 N 0.40 0.00 -0.54 -0.43 3.32 -0.62 -1.48 116.42 117.06 1rr2 h ASP 175 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1rr2 h ASP 175 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1rr2 h ASP 175 CO 0.01 0.00 0.00 0.23 -1.72 0.00 0.00 179.24 177.76 1rr2 n MET 176 N -2.80 2.63 -0.92 3.56 2.81 -0.54 -4.90 117.12 116.95 1rr2 n MET 176 Ca 0.00 -2.11 0.00 0.00 -1.81 0.00 0.00 57.70 53.78 1rr2 n MET 176 Cb 0.23 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 1rr2 n MET 176 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rr2 n GLY 177 N 1.23 0.54 3.71 3.03 0.00 -0.56 -4.67 105.19 108.47 1rr2 n GLY 177 Ca 0.19 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 1rr2 n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rr2 n ALA 178 N 0.17 2.63 0.17 4.61 0.00 -1.00 -4.85 120.51 122.24 1rr2 n ALA 178 Ca 0.00 0.40 0.07 0.00 0.00 0.00 0.00 53.44 53.91 1rr2 n ALA 178 Cb 0.06 -2.50 0.09 0.00 0.00 0.00 0.00 19.45 17.10 1rr2 n ALA 178 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1rr2 h ASP 179 N 6.48 0.00 -5.00 0.00 3.32 -0.37 -3.45 116.42 117.40 1rr2 h ASP 179 Ca -0.44 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.67 1rr2 h ASP 179 Cb 1.21 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.67 1rr2 h ASP 179 CO 0.93 0.27 0.28 -0.94 -1.72 0.00 0.00 179.24 178.06 1rr2 s SER 180 N -6.31 -0.38 -0.12 6.45 1.04 -1.17 -4.61 113.70 108.60 1rr2 s SER 180 Ca 0.05 -0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.19 1rr2 s SER 180 Cb 0.06 0.62 -0.01 0.00 0.10 0.00 0.00 66.02 66.79 1rr2 s SER 180 CO 0.71 -1.08 -0.16 -0.63 0.98 0.00 0.00 173.24 173.06 1rr2 s ILE 181 N -3.71 2.79 -0.20 -1.02 -1.09 0.17 -2.00 121.20 116.13 1rr2 s ILE 181 Ca 0.07 -0.76 -0.08 0.00 -2.23 0.00 0.00 60.65 57.65 1rr2 s ILE 181 Cb -0.03 -2.15 -0.04 0.00 -1.58 0.00 0.00 42.46 38.66 1rr2 s ILE 181 CO -0.03 0.53 0.08 0.00 -1.23 0.00 0.00 174.94 174.29 1rr2 s ALA 182 N 0.34 3.37 -0.41 9.38 0.00 0.62 -0.42 121.76 134.64 1rr2 s ALA 182 Ca -0.13 -0.85 -0.14 0.00 0.00 0.00 0.00 51.96 50.84 1rr2 s ALA 182 Cb -0.16 -2.00 0.02 0.00 0.00 0.00 0.00 23.12 20.98 1rr2 s ALA 182 CO 0.07 -0.01 0.29 -1.17 0.00 0.00 0.00 175.76 174.93 1rr2 s LEU 183 N 0.73 5.07 -0.26 0.00 2.96 -0.24 -0.04 118.68 126.90 1rr2 s LEU 183 Ca 0.04 -0.95 0.00 0.00 -0.22 0.00 0.00 54.13 53.01 1rr2 s LEU 183 Cb -0.13 -2.14 0.07 0.00 0.50 0.00 0.00 46.19 44.50 1rr2 s LEU 183 CO 0.02 -0.45 0.01 -0.75 -1.32 0.00 0.00 176.35 173.85 1rr2 s LYS 184 N 1.65 1.27 -0.77 1.98 2.20 -0.70 -1.80 119.74 123.58 1rr2 s LYS 184 Ca 0.04 -1.04 0.00 0.00 -0.36 0.00 0.00 55.97 54.62 1rr2 s LYS 184 Cb -0.19 -2.47 0.19 0.00 -1.51 0.00 0.00 37.83 33.85 1rr2 s LYS 184 CO 0.09 -0.73 0.60 0.34 -0.36 0.00 0.00 175.35 175.29 1rr2 s ASP 185 N 1.45 5.42 0.35 1.43 2.15 0.67 0.22 116.67 128.36 1rr2 s ASP 185 Ca 0.00 -3.55 0.17 0.00 0.43 0.00 0.00 52.55 49.61 1rr2 s ASP 185 Cb -0.18 -1.81 0.60 0.00 -0.30 0.00 0.00 42.92 41.23 1rr2 s ASP 185 CO -0.11 -0.19 1.70 -0.03 -0.17 0.00 0.00 175.17 176.37 1rr2 h MET 186 N 6.07 0.00 -0.70 4.34 1.85 -1.84 -2.51 114.93 122.14 1rr2 h MET 186 Ca 0.11 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.20 1rr2 h MET 186 Cb 0.83 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.86 1rr2 h MET 186 CO 0.78 0.42 0.00 0.00 -0.40 0.00 0.00 176.91 177.71 1rr2 n ALA 187 N -2.31 2.48 -3.58 0.39 0.00 -1.26 -4.60 120.51 111.63 1rr2 n ALA 187 Ca -0.00 -1.35 -0.23 0.00 0.00 0.00 0.00 53.44 51.86 1rr2 n ALA 187 Cb 0.54 -0.91 0.08 0.00 0.00 0.00 0.00 19.45 19.16 1rr2 n ALA 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rr2 n ALA 188 N 1.49 -1.40 0.64 0.00 0.00 -1.12 -4.57 120.51 115.56 1rr2 n ALA 188 Ca 0.24 0.35 0.12 0.00 0.00 0.00 0.00 53.44 54.15 1rr2 n ALA 188 Cb 0.66 -5.15 0.17 0.00 0.00 0.00 0.00 19.45 15.13 1rr2 n ALA 188 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1rr2 n LEU 189 N -4.91 0.65 -4.61 0.00 4.77 -1.26 -4.46 117.00 107.17 1rr2 n LEU 189 Ca -0.03 0.17 -0.43 0.00 -0.03 0.00 0.00 56.01 55.69 1rr2 n LEU 189 Cb 0.57 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1rr2 n LEU 189 CO 0.64 -0.01 1.16 -0.22 -1.33 0.00 0.00 177.39 177.63 1rr2 s LEU 190 N -3.98 3.69 0.61 2.23 2.96 -1.26 -4.97 118.68 117.95 1rr2 s LEU 190 Ca 0.07 0.86 -0.06 0.00 -0.22 0.00 0.00 54.13 54.78 1rr2 s LEU 190 Cb 0.14 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.31 1rr2 s LEU 190 CO 0.72 -1.28 0.92 -0.54 -1.32 0.00 0.00 176.35 174.85 1rr2 s LYS 191 N 4.58 2.81 0.15 1.98 1.02 -1.26 -4.58 119.74 124.45 1rr2 s LYS 191 Ca 0.57 -0.03 -0.23 0.00 0.02 0.00 0.00 55.97 56.30 1rr2 s LYS 191 Cb -0.13 -2.25 0.02 0.00 -0.52 0.00 0.00 37.83 34.95 1rr2 s LYS 191 CO 0.29 -0.78 1.63 -1.35 -0.92 0.00 0.00 175.35 174.22 1rr2 h PRO 192 N -0.25 -0.24 -0.18 -1.68 0.11 -1.87 -1.73 132.00 126.17 1rr2 h PRO 192 Ca -0.45 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1rr2 h PRO 192 Cb 1.26 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 1rr2 h PRO 192 CO 0.61 -0.16 0.08 0.37 -0.21 0.00 0.00 178.00 178.68 1rr2 h GLN 193 N -0.25 0.27 -0.63 1.05 5.75 -1.95 -1.64 115.11 117.71 1rr2 h GLN 193 Ca 0.13 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.58 1rr2 h GLN 193 Cb 0.45 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.92 1rr2 h GLN 193 CO -0.36 0.33 0.40 -1.35 -2.65 0.00 0.00 178.83 175.20 1rr2 h PRO 194 N 0.15 0.84 -0.15 -2.39 0.11 -1.95 0.80 132.00 129.41 1rr2 h PRO 194 Ca 0.06 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1rr2 h PRO 194 Cb 0.16 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 1rr2 h PRO 194 CO -0.01 0.57 0.08 0.00 -0.21 0.00 0.00 178.00 178.44 1rr2 h ALA 195 N 1.58 0.19 0.13 -0.75 0.00 -0.87 0.19 119.26 119.72 1rr2 h ALA 195 Ca 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1rr2 h ALA 195 Cb -0.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1rr2 h ALA 195 CO -0.05 -0.28 -0.06 -0.92 0.00 0.00 0.00 179.25 177.94 1rr2 h TYR 196 N 0.15 -0.16 -0.57 0.00 3.20 -0.86 -1.90 116.97 116.84 1rr2 h TYR 196 Ca 0.05 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1rr2 h TYR 196 Cb 0.05 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 1rr2 h TYR 196 CO -0.05 -0.00 0.32 -0.44 -1.64 0.00 0.00 178.16 176.35 1rr2 h ASP 197 N -0.28 0.70 -0.03 -2.11 3.32 -0.62 -0.25 116.42 117.14 1rr2 h ASP 197 Ca -0.02 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1rr2 h ASP 197 Cb 0.22 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 1rr2 h ASP 197 CO 0.03 0.58 -0.02 0.40 -1.72 0.00 0.00 179.24 178.51 1rr2 h ILE 198 N 0.76 1.35 -0.66 0.35 2.04 -0.64 -0.74 117.51 119.98 1rr2 h ILE 198 Ca 0.20 -1.10 0.01 0.00 1.00 0.00 0.00 64.86 64.98 1rr2 h ILE 198 Cb 0.03 2.02 -0.04 0.00 -0.74 0.00 0.00 36.82 38.09 1rr2 h ILE 198 CO -0.03 0.29 0.43 0.40 0.00 0.00 0.00 178.15 179.24 1rr2 h ILE 199 N -0.35 1.14 -0.58 -0.67 1.08 -1.25 -1.46 117.51 115.42 1rr2 h ILE 199 Ca 0.01 -0.30 -0.07 0.00 -0.39 0.00 0.00 64.86 64.11 1rr2 h ILE 199 Cb 0.49 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 34.42 1rr2 h ILE 199 CO 0.01 0.16 0.10 0.50 -0.69 0.00 0.00 178.15 178.22 1rr2 h LYS 200 N 0.87 0.95 -0.52 2.37 1.63 -1.04 -1.43 116.57 119.40 1rr2 h LYS 200 Ca 0.25 -0.25 -0.08 0.00 -0.85 0.00 0.00 60.65 59.71 1rr2 h LYS 200 Cb -0.07 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.43 1rr2 h LYS 200 CO -0.07 0.91 -0.01 0.00 -3.45 0.00 0.00 179.45 176.83 1rr2 h ALA 201 N 1.01 1.00 -0.37 5.00 0.00 -0.74 0.19 119.26 125.34 1rr2 h ALA 201 Ca 0.18 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1rr2 h ALA 201 Cb 0.41 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1rr2 h ALA 201 CO 0.01 0.61 -0.16 0.82 0.00 0.00 0.00 179.25 180.53 1rr2 h ILE 202 N 0.82 1.28 -0.50 0.00 2.04 -1.09 -0.76 117.51 119.30 1rr2 h ILE 202 Ca 0.15 -1.28 -0.06 0.00 1.00 0.00 0.00 64.86 64.67 1rr2 h ILE 202 Cb 0.50 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1rr2 h ILE 202 CO 0.02 0.42 0.09 0.11 0.00 0.00 0.00 178.15 178.80 1rr2 h LYS 203 N 0.57 0.82 -0.14 2.37 1.79 -0.93 -0.34 116.57 120.71 1rr2 h LYS 203 Ca 0.09 -0.22 -0.13 0.00 -2.18 0.00 0.00 60.65 58.21 1rr2 h LYS 203 Cb 0.70 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 1rr2 h LYS 203 CO 0.05 0.81 -0.48 -0.44 -1.08 0.00 0.00 179.45 178.31 1rr2 h ASP 204 N 0.70 0.41 0.24 0.86 3.32 -0.58 0.37 116.42 121.73 1rr2 h ASP 204 Ca 0.15 -0.20 -0.33 0.00 0.02 0.00 0.00 57.03 56.68 1rr2 h ASP 204 Cb 0.39 -0.11 0.03 0.00 0.22 0.00 0.00 39.33 39.86 1rr2 h ASP 204 CO 0.01 0.83 -1.47 0.74 -1.72 0.00 0.00 179.24 177.62 1rr2 h THR 205 N 0.30 1.25 -0.01 0.35 2.02 -0.96 -3.38 112.91 112.48 1rr2 h THR 205 Ca 0.02 -2.66 0.00 0.00 0.77 0.00 0.00 66.41 64.54 1rr2 h THR 205 Cb 0.96 3.02 0.00 0.00 -1.74 0.00 0.00 68.15 70.39 1rr2 h THR 205 CO 0.08 0.81 -0.17 -1.22 0.37 0.00 0.00 175.52 175.39 1rr2 n TYR 206 N -3.74 0.00 0.00 3.16 4.02 -0.15 -5.09 117.16 115.36 1rr2 n TYR 206 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 1rr2 n TYR 206 Cb 1.08 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.40 1rr2 n TYR 206 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1rr2 n GLY 207 N 0.85 2.47 0.30 2.72 0.00 0.12 -4.63 105.19 107.01 1rr2 n GLY 207 Ca 0.05 -1.74 0.15 0.00 0.00 0.00 0.00 46.02 44.48 1rr2 n GLY 207 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1rr2 h GLN 208 N 0.00 0.00 0.00 1.61 1.08 -1.92 -0.93 115.11 114.95 1rr2 h GLN 208 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1rr2 h GLN 208 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1rr2 h GLN 208 CO 0.00 0.01 0.00 1.57 -0.95 0.00 0.00 178.83 179.46 1rr2 h LYS 209 N 0.00 0.00 -6.24 1.46 2.10 -1.91 -3.43 116.57 108.56 1rr2 h LYS 209 Ca -0.00 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.08 1rr2 h LYS 209 Cb 0.03 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.34 1rr2 h LYS 209 CO 0.00 0.00 1.24 0.99 -2.00 0.00 0.00 179.45 179.68 1rr2 s THR 210 N -3.39 3.45 -0.12 0.07 2.01 -0.36 -4.95 115.64 112.34 1rr2 s THR 210 Ca 0.03 0.49 -0.27 0.00 0.31 0.00 0.00 61.69 62.25 1rr2 s THR 210 Cb 0.09 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.08 1rr2 s THR 210 CO 0.38 -0.25 0.89 -1.58 -0.69 0.00 0.00 174.62 173.38 1rr2 s GLN 211 N 5.21 4.38 -0.10 4.92 0.74 -1.26 -4.93 119.66 128.62 1rr2 s GLN 211 Ca 0.81 1.17 0.03 0.00 0.05 0.00 0.00 55.36 57.41 1rr2 s GLN 211 Cb -0.27 -3.54 0.01 0.00 1.10 0.00 0.00 33.01 30.31 1rr2 s GLN 211 CO 0.33 -0.25 -0.17 0.42 -0.55 0.00 0.00 175.29 175.06 1rr2 s ILE 212 N 1.85 1.60 -0.16 -2.34 1.01 -1.26 0.43 121.20 122.33 1rr2 s ILE 212 Ca 0.43 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 60.32 1rr2 s ILE 212 Cb -0.18 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 1rr2 s ILE 212 CO 0.16 0.46 -0.05 0.20 0.00 0.00 0.00 174.94 175.71 1rr2 s ASN 213 N 0.72 4.62 -0.23 3.58 0.02 0.43 -2.28 114.94 121.80 1rr2 s ASN 213 Ca -0.12 -0.19 -0.08 0.00 -1.02 0.00 0.00 52.86 51.45 1rr2 s ASN 213 Cb -0.16 -1.75 -0.04 0.00 0.02 0.00 0.00 41.25 39.32 1rr2 s ASN 213 CO 0.03 0.15 0.09 -0.22 0.02 0.00 0.00 177.10 177.17 1rr2 s LEU 214 N 0.45 3.74 -0.35 0.60 2.96 0.86 -1.08 118.68 125.85 1rr2 s LEU 214 Ca -0.05 -0.03 -0.00 0.00 -0.22 0.00 0.00 54.13 53.83 1rr2 s LEU 214 Cb -0.15 -1.99 0.09 0.00 0.50 0.00 0.00 46.19 44.65 1rr2 s LEU 214 CO 0.03 0.05 0.09 -2.28 -1.32 0.00 0.00 176.35 172.92 1rr2 s HIS 215 N 1.10 3.55 -0.05 5.38 5.65 -0.74 -1.04 115.29 129.13 1rr2 s HIS 215 Ca 0.05 -2.47 0.06 0.00 0.25 0.00 0.00 55.06 52.95 1rr2 s HIS 215 Cb -0.14 -2.79 -0.01 0.00 -1.18 0.00 0.00 32.58 28.46 1rr2 s HIS 215 CO 0.04 -0.92 -0.23 0.00 -0.65 0.00 0.00 174.74 172.98 1rr2 s HIS 217 N -0.12 2.35 -0.43 0.00 3.76 -0.96 -4.37 115.29 115.52 1rr2 s HIS 217 Ca -0.03 0.35 0.10 0.00 -0.15 0.00 0.00 55.06 55.33 1rr2 s HIS 217 Cb -0.13 -3.48 0.27 0.00 1.11 0.00 0.00 32.58 30.35 1rr2 s HIS 217 CO 0.03 -1.87 1.21 -1.13 -0.85 0.00 0.00 174.74 172.14 1rr2 n SER 218 N -3.22 2.83 -0.29 1.40 3.41 0.11 -4.48 113.62 113.38 1rr2 n SER 218 Ca 0.11 -2.36 0.10 0.00 -0.26 0.00 0.00 58.87 56.46 1rr2 n SER 218 Cb 0.60 -0.27 0.24 0.00 -0.26 0.00 0.00 64.21 64.53 1rr2 n SER 218 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1rr2 h THR 219 N 1.21 0.31 -0.00 6.66 2.02 -1.57 0.11 112.91 121.65 1rr2 h THR 219 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1rr2 h THR 219 Cb 0.86 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1rr2 h THR 219 CO 0.05 0.03 -0.43 0.35 0.37 0.00 0.00 175.52 175.89 1rr2 n THR 220 N -5.28 0.00 -1.01 3.16 -2.24 -1.25 -1.20 114.28 106.46 1rr2 n THR 220 Ca 0.19 -0.01 -0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1rr2 n THR 220 Cb 0.61 0.19 -0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1rr2 n THR 220 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rr2 n GLY 221 N 1.48 0.44 0.03 3.38 0.00 0.39 -4.56 105.19 106.35 1rr2 n GLY 221 Ca 0.06 -0.08 0.03 0.00 0.00 0.00 0.00 46.02 46.03 1rr2 n GLY 221 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1rr2 n VAL 222 N -2.85 0.00 0.39 1.61 0.24 -1.26 -4.73 118.33 111.73 1rr2 n VAL 222 Ca -0.00 -0.36 0.14 0.00 -2.04 0.00 0.00 64.34 62.07 1rr2 n VAL 222 Cb 0.08 1.01 0.47 0.00 -1.47 0.00 0.00 33.84 33.94 1rr2 n VAL 222 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1rr2 h THR 223 N 0.14 0.00 0.00 3.34 1.35 -1.83 -2.67 112.91 113.25 1rr2 h THR 223 Ca 0.00 -0.48 -0.10 0.00 -0.55 0.00 0.00 66.41 65.28 1rr2 h THR 223 Cb 0.17 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 1rr2 h THR 223 CO 0.00 0.00 -0.46 -0.08 -0.25 0.00 0.00 175.52 174.73 1rr2 h GLU 224 N 0.00 0.00 -0.06 4.72 4.81 -1.91 0.15 114.58 122.29 1rr2 h GLU 224 Ca 0.00 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 1rr2 h GLU 224 Cb 0.59 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 1rr2 h GLU 224 CO 0.00 0.46 -0.74 0.28 -0.73 0.00 0.00 179.01 178.29 1rr2 h VAL 225 N 0.00 1.40 -0.59 0.32 2.07 -1.83 -2.51 116.25 115.10 1rr2 h VAL 225 Ca -0.00 -2.19 -0.06 0.00 0.82 0.00 0.00 66.70 65.26 1rr2 h VAL 225 Cb 0.92 2.15 -0.03 0.00 -1.52 0.00 0.00 31.29 32.82 1rr2 h VAL 225 CO 0.06 0.65 0.11 0.28 0.02 0.00 0.00 177.57 178.69 1rr2 h SER 226 N 0.23 0.88 -0.47 0.57 0.02 -1.21 -1.69 113.55 111.89 1rr2 h SER 226 Ca -0.03 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1rr2 h SER 226 Cb 1.31 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.59 1rr2 h SER 226 CO 0.12 0.88 0.28 -0.07 -1.14 0.00 0.00 176.83 176.91 1rr2 h LEU 227 N 0.89 0.57 -0.63 5.07 4.07 -0.83 0.19 115.31 124.64 1rr2 h LEU 227 Ca 0.18 -0.06 0.01 0.00 0.08 0.00 0.00 57.88 58.09 1rr2 h LEU 227 Cb 0.37 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 41.94 1rr2 h LEU 227 CO 0.01 0.47 0.41 -0.03 -1.08 0.00 0.00 178.44 178.22 1rr2 h MET 228 N 0.63 0.82 -0.69 1.13 4.05 -1.03 -0.42 114.93 119.42 1rr2 h MET 228 Ca 0.17 -0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 59.49 1rr2 h MET 228 Cb 0.00 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 30.59 1rr2 h MET 228 CO -0.03 0.54 0.25 0.87 0.23 0.00 0.00 176.91 178.77 1rr2 h LYS 229 N 0.84 1.05 -0.72 0.39 1.79 -0.77 -1.42 116.57 117.74 1rr2 h LYS 229 Ca 0.23 -0.21 -0.03 0.00 -2.18 0.00 0.00 60.65 58.47 1rr2 h LYS 229 Cb -0.09 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.37 1rr2 h LYS 229 CO -0.06 0.89 0.35 0.00 -1.08 0.00 0.00 179.45 179.55 1rr2 h ALA 230 N 1.11 1.25 -0.53 3.86 0.00 -0.03 0.47 119.26 125.40 1rr2 h ALA 230 Ca 0.23 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1rr2 h ALA 230 Cb 0.25 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1rr2 h ALA 230 CO -0.01 0.58 -0.11 0.82 0.00 0.00 0.00 179.25 180.53 1rr2 h ILE 231 N 1.02 1.27 -0.10 0.00 2.04 -0.62 0.63 117.51 121.76 1rr2 h ILE 231 Ca 0.25 -1.25 -0.06 0.00 1.00 0.00 0.00 64.86 64.80 1rr2 h ILE 231 Cb 0.10 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1rr2 h ILE 231 CO -0.03 0.44 -0.20 -0.33 0.00 0.00 0.00 178.15 178.03 1rr2 h GLU 232 N 0.88 0.16 0.00 2.37 5.08 -0.49 -1.15 114.58 121.43 1rr2 h GLU 232 Ca 0.14 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1rr2 h GLU 232 Cb 0.66 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1rr2 h GLU 232 CO 0.05 0.36 0.00 0.00 -1.00 0.00 0.00 179.01 178.42 1rr2 n ALA 233 N -2.49 2.37 0.00 3.43 0.00 0.08 -0.18 120.51 123.72 1rr2 n ALA 233 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1rr2 n ALA 233 Cb 0.30 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1rr2 n ALA 233 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rr2 n GLY 234 N 1.31 1.11 3.77 0.00 0.00 -0.43 -4.24 105.19 106.70 1rr2 n GLY 234 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1rr2 n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rr2 s VAL 235 N -2.00 2.22 -0.02 1.61 0.11 0.09 -4.93 120.40 117.47 1rr2 s VAL 235 Ca 0.00 0.19 -0.11 0.00 -2.93 0.00 0.00 61.98 59.13 1rr2 s VAL 235 Cb 0.00 -3.11 -0.32 0.00 -1.53 0.00 0.00 36.38 31.42 1rr2 s VAL 235 CO 0.00 0.03 0.79 0.44 -3.33 0.00 0.00 175.10 173.02 1rr2 h ASP 236 N 2.36 0.65 -4.16 3.54 3.32 -1.80 -3.45 116.42 116.88 1rr2 h ASP 236 Ca -0.51 -0.88 -0.18 0.00 0.02 0.00 0.00 57.03 55.49 1rr2 h ASP 236 Cb 1.26 -0.21 -0.25 0.00 0.22 0.00 0.00 39.33 40.35 1rr2 h ASP 236 CO 0.61 1.72 -0.55 -0.69 -1.72 0.00 0.00 179.24 178.62 1rr2 s VAL 237 N -2.59 0.03 0.04 -1.35 1.01 -1.05 -1.16 120.40 115.33 1rr2 s VAL 237 Ca -0.13 -0.24 0.07 0.00 0.00 0.00 0.00 61.98 61.68 1rr2 s VAL 237 Cb 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 1rr2 s VAL 237 CO 0.88 -0.13 -0.19 0.68 0.00 0.00 0.00 175.10 176.35 1rr2 s VAL 238 N -0.40 1.49 -0.10 2.92 -7.23 -0.79 -0.10 120.40 116.19 1rr2 s VAL 238 Ca -0.05 -1.14 -0.13 0.00 -1.81 0.00 0.00 61.98 58.85 1rr2 s VAL 238 Cb -0.03 -1.31 -0.05 0.00 0.56 0.00 0.00 36.38 35.55 1rr2 s VAL 238 CO 0.00 0.14 0.32 -1.81 -0.31 0.00 0.00 175.10 173.44 1rr2 s ASP 239 N -1.17 6.56 0.21 4.85 1.11 -0.21 -1.85 116.67 126.16 1rr2 s ASP 239 Ca 0.06 0.66 -0.01 0.00 0.18 0.00 0.00 52.55 53.44 1rr2 s ASP 239 Cb -0.08 -2.19 -0.04 0.00 1.07 0.00 0.00 42.92 41.67 1rr2 s ASP 239 CO 0.02 0.20 0.15 0.42 1.18 0.00 0.00 175.17 177.13 1rr2 s THR 240 N -0.19 0.00 -0.04 -1.27 -4.23 -0.46 -4.59 115.64 104.87 1rr2 s THR 240 Ca 0.19 -1.98 0.05 0.00 -1.18 0.00 0.00 61.69 58.77 1rr2 s THR 240 Cb -0.14 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 1rr2 s THR 240 CO 0.07 0.00 -0.18 0.00 -0.54 0.00 0.00 174.62 173.97 1rr2 s ALA 241 N -4.13 1.56 0.33 3.99 0.00 -0.69 -1.11 121.76 121.71 1rr2 s ALA 241 Ca 0.39 -0.74 -0.25 0.00 0.00 0.00 0.00 51.96 51.35 1rr2 s ALA 241 Cb 0.07 -0.48 -0.14 0.00 0.00 0.00 0.00 23.12 22.56 1rr2 s ALA 241 CO 0.13 0.31 0.68 1.51 0.00 0.00 0.00 175.76 178.39 1rr2 n ILE 242 N 2.99 1.86 -0.20 0.00 0.13 -1.26 -1.43 119.36 121.45 1rr2 n ILE 242 Ca -0.17 -0.50 0.24 0.00 -1.10 0.00 0.00 62.75 61.22 1rr2 n ILE 242 Cb 0.53 -0.55 0.63 0.00 -0.84 0.00 0.00 39.64 39.41 1rr2 n ILE 242 CO 0.00 0.00 0.00 0.77 2.80 0.00 0.00 176.55 180.12 1rr2 h SER 243 N 1.22 0.18 0.31 9.51 4.64 -1.93 0.14 113.55 127.61 1rr2 h SER 243 Ca -0.37 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1rr2 h SER 243 Cb 1.39 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1rr2 h SER 243 CO 0.56 0.07 0.00 -1.54 -0.87 0.00 0.00 176.83 175.04 1rr2 n SER 244 N -4.39 0.00 -2.61 4.97 3.41 -1.26 -3.53 113.62 110.22 1rr2 n SER 244 Ca 0.19 -0.51 -0.14 0.00 -0.26 0.00 0.00 58.87 58.15 1rr2 n SER 244 Cb 0.83 -0.16 0.02 0.00 -0.26 0.00 0.00 64.21 64.65 1rr2 n SER 244 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1rr2 n MET 245 N -1.16 1.84 -4.34 4.33 2.81 0.48 -4.72 117.12 116.36 1rr2 n MET 245 Ca 0.18 -3.62 -0.20 0.00 -1.81 0.00 0.00 57.70 52.25 1rr2 n MET 245 Cb 0.18 -1.55 -0.08 0.00 -0.71 0.00 0.00 33.22 31.05 1rr2 n MET 245 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1rr2 s SER 246 N -3.28 1.86 0.27 7.83 1.04 -1.21 -4.58 113.70 115.63 1rr2 s SER 246 Ca 0.33 -1.70 0.00 0.00 0.48 0.00 0.00 55.95 55.06 1rr2 s SER 246 Cb 0.44 0.53 0.00 0.00 0.10 0.00 0.00 66.02 67.08 1rr2 s SER 246 CO -0.03 -1.01 0.00 0.18 0.98 0.00 0.00 173.24 173.37 1rr2 n LEU 247 N -0.67 0.00 0.00 2.42 4.77 0.11 -4.82 117.00 118.81 1rr2 n LEU 247 Ca 0.03 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1rr2 n LEU 247 Cb 0.63 -1.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1rr2 n LEU 247 CO 0.33 -1.04 0.00 0.61 -1.33 0.00 0.00 177.39 175.96 1rr2 n GLY 248 N -1.47 1.46 0.00 -0.72 0.00 -1.21 -1.33 105.19 101.92 1rr2 n GLY 248 Ca 0.00 -0.61 0.07 0.00 0.00 0.00 0.00 46.02 45.48 1rr2 n GLY 248 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1rr2 n PRO 249 N 5.45 0.32 0.00 1.61 -0.02 -1.26 -1.90 135.00 139.19 1rr2 n PRO 249 Ca 0.00 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1rr2 n PRO 249 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1rr2 n PRO 249 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rr2 n GLY 250 N -0.13 0.88 3.42 -1.23 0.00 -0.44 -4.62 105.19 103.06 1rr2 n GLY 250 Ca 0.09 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 1rr2 n GLY 250 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rr2 s HIS 251 N 0.30 1.72 0.51 1.61 3.76 -1.26 -0.71 115.29 121.22 1rr2 s HIS 251 Ca 0.00 -1.31 -0.20 0.00 -0.15 0.00 0.00 55.06 53.41 1rr2 s HIS 251 Cb 0.00 -1.02 -0.07 0.00 1.11 0.00 0.00 32.58 32.60 1rr2 s HIS 251 CO 0.00 -0.39 1.07 -0.80 -0.85 0.00 0.00 174.74 173.76 1rr2 s ASN 252 N -3.48 6.13 0.11 1.40 -0.87 -1.26 0.10 114.94 117.07 1rr2 s ASN 252 Ca 0.31 2.00 -0.31 0.00 -1.57 0.00 0.00 52.86 53.30 1rr2 s ASN 252 Cb 0.04 -2.57 -0.08 0.00 -0.02 0.00 0.00 41.25 38.63 1rr2 s ASN 252 CO 0.17 -0.93 1.34 -2.84 -2.57 0.00 0.00 177.10 172.26 1rr2 s PRO 253 N -3.28 4.35 0.12 -0.60 0.02 -1.26 -1.70 135.00 132.66 1rr2 s PRO 253 Ca 0.69 2.00 -0.26 0.00 0.02 0.00 0.00 61.00 63.45 1rr2 s PRO 253 Cb -0.19 -3.26 -0.06 0.00 0.02 0.00 0.00 34.50 31.01 1rr2 s PRO 253 CO 0.23 -0.37 1.64 1.15 -0.33 0.00 0.00 177.00 179.31 1rr2 h THR 254 N 4.25 0.44 -0.78 0.99 2.02 -1.53 0.10 112.91 118.40 1rr2 h THR 254 Ca -0.42 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 1rr2 h THR 254 Cb 1.21 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 1rr2 h THR 254 CO 0.84 0.00 0.35 -0.33 0.37 0.00 0.00 175.52 176.75 1rr2 h GLU 255 N -0.39 1.13 -0.33 6.66 3.07 -1.93 -0.91 114.58 121.87 1rr2 h GLU 255 Ca 0.06 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.36 58.72 1rr2 h GLU 255 Cb 0.46 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1rr2 h GLU 255 CO -0.21 0.89 0.12 0.77 -1.40 0.00 0.00 179.01 179.18 1rr2 h SER 256 N 1.12 0.48 -0.20 1.42 0.02 -1.83 0.14 113.55 114.70 1rr2 h SER 256 Ca 0.27 -0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 1rr2 h SER 256 Cb 0.15 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1rr2 h SER 256 CO -0.03 0.54 -0.10 0.58 -1.14 0.00 0.00 176.83 176.68 1rr2 h VAL 257 N 0.39 1.23 -0.16 2.27 2.07 -0.50 -1.45 116.25 120.10 1rr2 h VAL 257 Ca 0.11 -1.01 -0.09 0.00 0.82 0.00 0.00 66.70 66.52 1rr2 h VAL 257 Cb 0.22 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1rr2 h VAL 257 CO -0.01 0.34 -0.26 0.00 0.02 0.00 0.00 177.57 177.66 1rr2 h ALA 258 N 1.37 0.24 -0.37 1.67 0.00 -0.83 -3.30 119.26 118.05 1rr2 h ALA 258 Ca 0.10 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 1rr2 h ALA 258 Cb 0.49 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1rr2 h ALA 258 CO 0.03 0.23 -0.26 0.93 0.00 0.00 0.00 179.25 180.18 1rr2 h GLU 259 N 0.08 0.76 0.00 0.00 4.39 -0.57 -3.18 114.58 116.06 1rr2 h GLU 259 Ca 0.01 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1rr2 h GLU 259 Cb 0.84 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1rr2 h GLU 259 CO 0.06 0.94 0.00 0.00 -1.16 0.00 0.00 179.01 178.85 1rr2 n MET 260 N -4.10 0.15 0.03 2.33 0.00 -0.56 -2.40 117.12 112.58 1rr2 n MET 260 Ca -0.00 0.52 0.13 0.00 0.00 0.00 0.00 57.70 58.34 1rr2 n MET 260 Cb 0.45 -1.88 0.33 0.00 0.00 0.00 0.00 33.22 32.12 1rr2 n MET 260 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1rr2 n LEU 261 N -2.18 0.48 -4.67 3.17 4.77 -1.20 -4.89 117.00 112.48 1rr2 n LEU 261 Ca 0.00 0.26 -0.47 0.00 -0.03 0.00 0.00 56.01 55.77 1rr2 n LEU 261 Cb 0.13 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 40.88 1rr2 n LEU 261 CO 0.14 0.00 1.31 1.21 -1.33 0.00 0.00 177.39 178.72 1rr2 n GLU 262 N -1.78 2.10 -0.10 3.23 2.13 -1.01 -1.19 120.64 124.03 1rr2 n GLU 262 Ca 0.05 0.76 0.00 0.00 0.66 0.00 0.00 57.16 58.64 1rr2 n GLU 262 Cb 0.38 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.53 1rr2 n GLU 262 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1rr2 n GLY 263 N 3.80 1.84 0.09 8.31 0.00 -1.26 -4.90 105.19 113.06 1rr2 n GLY 263 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 1rr2 n GLY 263 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1rr2 h THR 264 N 0.00 0.00 0.00 2.61 1.35 -1.50 -3.46 112.91 111.91 1rr2 h THR 264 Ca 0.00 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1rr2 h THR 264 Cb 0.00 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1rr2 h THR 264 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1rr2 n GLY 265 N 1.31 2.74 3.91 5.82 0.00 -1.26 -4.93 105.19 112.78 1rr2 n GLY 265 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1rr2 n GLY 265 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rr2 s TYR 266 N -2.70 3.49 0.14 1.61 1.51 -1.26 -2.39 117.35 117.76 1rr2 s TYR 266 Ca 0.00 0.40 -0.18 0.00 -1.01 0.00 0.00 57.07 56.28 1rr2 s TYR 266 Cb 0.00 -1.89 0.04 0.00 -0.11 0.00 0.00 41.96 40.01 1rr2 s TYR 266 CO 0.00 0.48 0.47 -0.08 -1.11 0.00 0.00 175.55 175.31 1rr2 s THR 267 N -1.64 0.05 0.35 -0.71 -1.32 -0.90 -4.52 115.64 106.94 1rr2 s THR 267 Ca 0.38 -0.47 0.09 0.00 -1.21 0.00 0.00 61.69 60.48 1rr2 s THR 267 Cb -0.12 -1.19 -0.05 0.00 -1.51 0.00 0.00 72.50 69.62 1rr2 s THR 267 CO 0.27 -0.21 0.05 0.42 -2.21 0.00 0.00 174.62 172.94 1rr2 s THR 268 N -3.80 2.66 -0.56 5.08 -4.23 -1.26 0.45 115.64 113.98 1rr2 s THR 268 Ca 0.03 -1.89 0.05 0.00 -1.18 0.00 0.00 61.69 58.70 1rr2 s THR 268 Cb 0.01 -2.86 0.35 0.00 1.34 0.00 0.00 72.50 71.34 1rr2 s THR 268 CO -0.11 -0.17 1.00 -3.20 -0.54 0.00 0.00 174.62 171.60 1rr2 n ASN 269 N -1.02 4.61 -4.89 3.99 4.05 -1.26 -4.94 115.26 115.79 1rr2 n ASN 269 Ca -0.04 -3.70 -0.30 0.00 0.45 0.00 0.00 54.58 50.99 1rr2 n ASN 269 Cb 0.62 -0.56 -0.04 0.00 1.23 0.00 0.00 39.78 41.03 1rr2 n ASN 269 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1rr2 s LEU 270 N -3.51 4.14 -0.44 1.20 1.43 -1.26 -4.53 118.68 115.71 1rr2 s LEU 270 Ca 0.49 0.78 -0.21 0.00 -1.03 0.00 0.00 54.13 54.16 1rr2 s LEU 270 Cb 0.30 -3.56 0.03 0.00 0.03 0.00 0.00 46.19 42.99 1rr2 s LEU 270 CO -0.15 -0.10 0.65 -0.62 0.23 0.00 0.00 176.35 176.36 1rr2 s ASP 271 N -2.70 6.32 0.49 2.29 -1.08 0.84 -4.95 116.67 117.88 1rr2 s ASP 271 Ca 0.45 -0.37 0.15 0.00 -0.52 0.00 0.00 52.55 52.26 1rr2 s ASP 271 Cb -0.11 -2.32 1.17 0.00 -1.46 0.00 0.00 42.92 40.20 1rr2 s ASP 271 CO 0.25 -0.79 2.10 1.88 0.52 0.00 0.00 175.17 179.13 1rr2 h TYR 272 N 8.89 0.15 -0.16 -5.34 -1.99 -1.97 -0.98 116.97 115.57 1rr2 h TYR 272 Ca -0.25 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.44 1rr2 h TYR 272 Cb 1.10 -0.05 -0.00 0.00 2.00 0.00 0.00 36.73 39.77 1rr2 h TYR 272 CO 0.73 0.09 -0.05 -0.44 -0.00 0.00 0.00 178.16 178.49 1rr2 h ASP 273 N 0.16 0.33 -0.59 3.88 3.45 -1.99 -0.42 116.42 121.24 1rr2 h ASP 273 Ca 0.08 -0.39 0.01 0.00 0.43 0.00 0.00 57.03 57.16 1rr2 h ASP 273 Cb 0.12 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 38.77 1rr2 h ASP 273 CO -0.01 0.64 0.39 0.03 -1.57 0.00 0.00 179.24 178.72 1rr2 h ARG 274 N 0.01 0.78 -0.90 3.56 2.47 -1.71 -2.04 114.38 116.56 1rr2 h ARG 274 Ca 0.04 -0.05 0.04 0.00 -1.26 0.00 0.00 59.98 58.75 1rr2 h ARG 274 Cb 0.50 -0.17 -0.06 0.00 -1.65 0.00 0.00 29.97 28.59 1rr2 h ARG 274 CO 0.02 0.51 0.58 -0.07 0.56 0.00 0.00 179.97 181.57 1rr2 h LEU 275 N 0.80 0.95 -0.88 3.04 3.38 -1.05 -0.98 115.31 120.56 1rr2 h LEU 275 Ca 0.22 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.19 1rr2 h LEU 275 Cb -0.09 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 1rr2 h LEU 275 CO -0.05 0.64 0.57 -0.74 0.09 0.00 0.00 178.44 178.96 1rr2 h HIS 276 N 1.10 1.13 -0.36 1.13 2.76 -0.38 0.99 115.15 121.52 1rr2 h HIS 276 Ca 0.37 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.46 1rr2 h HIS 276 Cb 0.05 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 28.62 1rr2 h HIS 276 CO -0.02 0.72 -0.14 0.87 -1.30 0.00 0.00 177.93 178.07 1rr2 h LYS 277 N 1.20 0.73 -0.68 5.26 1.57 -0.79 -0.93 116.57 122.94 1rr2 h LYS 277 Ca 0.32 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1rr2 h LYS 277 Cb -0.12 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1rr2 h LYS 277 CO -0.07 0.91 0.29 0.82 -0.57 0.00 0.00 179.45 180.83 1rr2 h ILE 278 N 0.52 1.24 -0.00 1.86 2.04 -0.82 0.58 117.51 122.93 1rr2 h ILE 278 Ca 0.09 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 1rr2 h ILE 278 Cb 0.67 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1rr2 h ILE 278 CO 0.05 0.29 0.00 -0.09 0.00 0.00 0.00 178.15 178.40 1rr2 h ARG 279 N 0.95 0.00 -0.51 2.37 2.43 -0.61 -2.32 114.38 116.69 1rr2 h ARG 279 Ca 0.23 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.35 1rr2 h ARG 279 Cb 0.18 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1rr2 h ARG 279 CO -0.02 0.07 0.13 -0.44 -1.51 0.00 0.00 179.97 178.20 1rr2 h ASP 280 N -0.07 0.71 0.43 -3.80 3.32 -0.99 -0.82 116.42 115.19 1rr2 h ASP 280 Ca 0.00 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1rr2 h ASP 280 Cb 0.07 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1rr2 h ASP 280 CO -0.00 0.69 -0.31 -0.74 -1.72 0.00 0.00 179.24 177.17 1rr2 h HIS 281 N 0.74 -0.82 0.00 4.55 2.76 -0.50 -2.55 115.15 119.33 1rr2 h HIS 281 Ca 0.17 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.25 1rr2 h HIS 281 Cb 0.26 0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 1rr2 h HIS 281 CO 0.01 -0.46 -0.38 0.74 -1.30 0.00 0.00 177.93 176.54 1rr2 h PHE 282 N -0.72 0.00 -0.38 5.26 -1.00 -1.27 -2.94 116.94 115.89 1rr2 h PHE 282 Ca -0.04 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.70 1rr2 h PHE 282 Cb 0.61 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.15 1rr2 h PHE 282 CO -0.13 0.38 0.05 -0.22 -1.61 0.00 0.00 178.31 176.78 1rr2 h LYS 283 N 0.00 0.57 0.00 1.51 3.64 -0.94 0.30 116.57 121.66 1rr2 h LYS 283 Ca -0.00 -0.11 -0.15 0.00 -1.27 0.00 0.00 60.65 59.12 1rr2 h LYS 283 Cb 0.92 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 1rr2 h LYS 283 CO 0.05 0.56 -0.70 0.00 -2.27 0.00 0.00 179.45 177.09 1rr2 h ALA 284 N 1.51 0.78 0.01 5.00 0.00 -1.29 -3.32 119.26 121.96 1rr2 h ALA 284 Ca 0.12 -0.64 -0.32 0.00 0.00 0.00 0.00 54.91 54.08 1rr2 h ALA 284 Cb 0.28 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1rr2 h ALA 284 CO 0.00 0.88 -1.90 -0.89 0.00 0.00 0.00 179.25 177.34 1rr2 n ILE 285 N -3.62 1.57 -0.31 0.00 5.41 -0.90 -4.49 119.36 117.02 1rr2 n ILE 285 Ca -0.01 -0.79 0.03 0.00 1.00 0.00 0.00 62.75 62.99 1rr2 n ILE 285 Cb 0.71 -0.98 0.18 0.00 -0.71 0.00 0.00 39.64 38.83 1rr2 n ILE 285 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1rr2 h ARG 286 N 0.01 0.86 -0.87 0.38 2.43 -0.51 -2.42 114.38 114.26 1rr2 h ARG 286 Ca -0.36 -0.05 0.25 0.00 -0.81 0.00 0.00 59.98 59.01 1rr2 h ARG 286 Cb 2.06 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 31.39 1rr2 h ARG 286 CO 0.06 0.57 0.67 -1.35 -1.51 0.00 0.00 179.97 178.41 1rr2 h PRO 287 N 0.88 0.00 0.00 0.20 0.11 -1.79 0.08 132.00 131.49 1rr2 h PRO 287 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 1rr2 h PRO 287 Cb 0.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.46 1rr2 h PRO 287 CO -0.24 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 178.42 1rr2 h LYS 288 N 0.00 0.00 -0.62 1.05 1.57 -1.73 -2.16 116.57 114.68 1rr2 h LYS 288 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1rr2 h LYS 288 Cb 1.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.06 1rr2 h LYS 288 CO -0.00 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 1rr2 n TYR 289 N -2.70 1.77 0.16 -1.35 4.02 0.02 -0.64 117.16 118.44 1rr2 n TYR 289 Ca 0.00 -0.67 0.16 0.00 -0.01 0.00 0.00 57.90 57.39 1rr2 n TYR 289 Cb 0.22 -0.37 0.75 0.00 -0.02 0.00 0.00 39.34 39.91 1rr2 n TYR 289 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1rr2 h LYS 290 N 4.09 0.00 0.00 -0.72 2.10 -1.50 0.22 116.57 120.76 1rr2 h LYS 290 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1rr2 h LYS 290 Cb 1.70 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.03 1rr2 h LYS 290 CO 0.35 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.43 1rr2 n LYS 291 N -4.15 0.22 -0.02 0.07 4.76 -1.26 -2.95 118.16 114.83 1rr2 n LYS 291 Ca 0.03 0.11 0.01 0.00 -2.87 0.00 0.00 58.31 55.59 1rr2 n LYS 291 Cb 0.35 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 32.06 1rr2 n LYS 291 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1rr2 n PHE 292 N -1.33 0.05 -1.97 2.13 3.01 0.06 -5.05 117.46 114.36 1rr2 n PHE 292 Ca 0.08 -0.21 -0.33 0.00 1.01 0.00 0.00 57.45 58.00 1rr2 n PHE 292 Cb 0.17 -0.02 0.02 0.00 -0.01 0.00 0.00 39.48 39.65 1rr2 n PHE 292 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1rr2 s GLU 293 N -0.56 3.11 0.51 -1.08 0.41 -1.15 -4.23 118.70 115.71 1rr2 s GLU 293 Ca 0.04 1.35 -0.05 0.00 -0.41 0.00 0.00 54.97 55.90 1rr2 s GLU 293 Cb 0.03 -1.99 -0.02 0.00 -1.78 0.00 0.00 34.13 30.36 1rr2 s GLU 293 CO 0.04 -1.00 0.81 -1.12 -0.49 0.00 0.00 175.26 173.49 1rr2 s SER 294 N -2.52 6.07 -0.22 -0.19 0.01 -1.25 -5.04 113.70 110.57 1rr2 s SER 294 Ca 0.67 0.83 0.12 0.00 1.31 0.00 0.00 55.95 58.88 1rr2 s SER 294 Cb -0.19 -2.07 0.43 0.00 0.21 0.00 0.00 66.02 64.40 1rr2 s SER 294 CO 0.37 -0.71 1.30 0.29 0.41 0.00 0.00 173.24 174.90 1rr2 n LYS 295 N -2.33 1.72 -3.64 12.44 5.02 -1.26 -4.94 118.16 125.16 1rr2 n LYS 295 Ca 0.02 -3.09 -0.24 0.00 -2.02 0.00 0.00 58.31 52.97 1rr2 n LYS 295 Cb 0.56 -1.67 -0.17 0.00 -0.02 0.00 0.00 35.03 33.72 1rr2 n LYS 295 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1rr2 s THR 296 N -3.14 -0.07 0.08 -0.18 2.01 -1.26 -5.03 115.64 108.06 1rr2 s THR 296 Ca 0.39 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.47 1rr2 s THR 296 Cb 0.36 -0.42 -0.25 0.00 0.01 0.00 0.00 72.50 72.20 1rr2 s THR 296 CO -0.02 -0.08 1.14 -0.07 -0.69 0.00 0.00 174.62 174.90 1rr2 h LEU 297 N 8.42 0.24 -7.38 4.42 3.38 -1.93 -3.39 115.31 119.08 1rr2 h LEU 297 Ca -0.14 -0.27 -0.26 0.00 0.09 0.00 0.00 57.88 57.29 1rr2 h LEU 297 Cb 1.14 -0.08 -0.33 0.00 0.09 0.00 0.00 40.66 41.48 1rr2 h LEU 297 CO 0.24 1.22 -0.61 -0.69 0.09 0.00 0.00 178.44 178.68 1rr2 s VAL 298 N -2.67 -0.12 -0.18 1.22 1.01 -1.26 -3.31 120.40 115.09 1rr2 s VAL 298 Ca -0.03 0.24 -0.04 0.00 0.00 0.00 0.00 61.98 62.15 1rr2 s VAL 298 Cb 0.08 -0.25 0.08 0.00 0.00 0.00 0.00 36.38 36.29 1rr2 s VAL 298 CO 0.85 0.10 0.20 -0.62 0.00 0.00 0.00 175.10 175.63 1rr2 s ASP 299 N 1.53 1.40 0.00 3.32 2.15 -0.34 -5.00 116.67 119.73 1rr2 s ASP 299 Ca -0.05 -0.18 0.22 0.00 0.43 0.00 0.00 52.55 52.97 1rr2 s ASP 299 Cb -0.12 0.30 0.39 0.00 -0.30 0.00 0.00 42.92 43.19 1rr2 s ASP 299 CO -0.06 -0.32 1.37 0.35 -0.17 0.00 0.00 175.17 176.34 1rr2 n THR 300 N 5.32 0.47 0.30 1.71 -2.24 -1.26 -3.87 114.28 114.70 1rr2 n THR 300 Ca -0.06 -0.74 0.15 0.00 -2.27 0.00 0.00 64.05 61.14 1rr2 n THR 300 Cb 0.49 1.01 0.92 0.00 -2.10 0.00 0.00 70.33 70.66 1rr2 n THR 300 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1rr2 h SER 301 N 4.33 0.00 0.24 3.42 4.64 -1.95 -1.86 113.55 122.38 1rr2 h SER 301 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1rr2 h SER 301 Cb 0.96 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1rr2 h SER 301 CO 0.00 0.00 -0.11 -0.29 -0.87 0.00 0.00 176.83 175.56 1rr2 h ILE 302 N 0.00 0.68 0.00 0.95 2.10 -1.80 -1.08 117.51 118.37 1rr2 h ILE 302 Ca 0.00 -0.43 0.00 0.00 1.08 0.00 0.00 64.86 65.51 1rr2 h ILE 302 Cb 0.00 1.26 0.00 0.00 -1.09 0.00 0.00 36.82 37.00 1rr2 h ILE 302 CO -0.00 0.10 0.00 0.49 -1.08 0.00 0.00 178.15 177.66 1rr2 n PHE 303 N -3.84 0.82 -0.07 2.19 0.99 -0.70 -0.57 117.46 116.28 1rr2 n PHE 303 Ca -0.02 0.36 -0.09 0.00 -0.00 0.00 0.00 57.45 57.69 1rr2 n PHE 303 Cb 0.20 -1.08 -0.06 0.00 -1.00 0.00 0.00 39.48 37.54 1rr2 n PHE 303 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 1rr2 n LYS 304 N -2.28 0.34 0.07 -1.08 4.81 -0.52 -4.75 118.16 114.74 1rr2 n LYS 304 Ca 0.01 0.08 0.11 0.00 -0.87 0.00 0.00 58.31 57.64 1rr2 n LYS 304 Cb 0.15 -1.26 -0.05 0.00 0.02 0.00 0.00 35.03 33.90 1rr2 n LYS 304 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1rr2 n SER 305 N -2.91 0.61 0.00 3.14 3.41 -0.53 -4.94 113.62 112.39 1rr2 n SER 305 Ca -0.24 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1rr2 n SER 305 Cb 0.75 0.88 0.00 0.00 -0.26 0.00 0.00 64.21 65.59 1rr2 n SER 305 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rr2 n GLN 306 N -2.54 -0.02 -3.70 4.33 6.02 0.27 -4.89 117.38 116.84 1rr2 n GLN 306 Ca -0.01 0.01 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 1rr2 n GLN 306 Cb 0.55 -3.69 -0.12 0.00 1.02 0.00 0.00 30.24 28.00 1rr2 n GLN 306 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1rr2 s ILE 307 N -2.21 4.74 0.36 5.09 1.01 -1.26 -4.97 121.20 123.96 1rr2 s ILE 307 Ca 0.00 -0.03 -0.27 0.00 0.00 0.00 0.00 60.65 60.35 1rr2 s ILE 307 Cb 0.00 -3.23 -0.09 0.00 0.01 0.00 0.00 42.46 39.15 1rr2 s ILE 307 CO 0.00 0.31 1.22 -2.84 0.00 0.00 0.00 174.94 173.63 1rr2 s PRO 308 N 1.60 4.24 0.24 2.79 0.02 -1.26 -4.47 135.00 138.17 1rr2 s PRO 308 Ca 0.06 1.99 -0.10 0.00 0.02 0.00 0.00 61.00 62.98 1rr2 s PRO 308 Cb -0.15 -2.90 0.37 0.00 0.02 0.00 0.00 34.50 31.83 1rr2 s PRO 308 CO 0.06 -0.20 1.60 0.78 -0.33 0.00 0.00 177.00 178.91 1rr2 h GLY 309 N 3.09 0.64 1.11 0.52 0.00 -1.97 0.16 103.07 106.61 1rr2 h GLY 309 Ca -0.49 0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.13 1rr2 h GLY 309 CO 0.64 -0.31 0.47 -1.33 0.00 0.00 0.00 176.54 176.01 1rr2 h GLY 310 N 0.02 0.95 1.10 4.60 0.00 -2.00 -0.60 103.07 107.14 1rr2 h GLY 310 Ca 0.39 -0.31 -0.15 0.00 0.00 0.00 0.00 47.33 47.26 1rr2 h GLY 310 CO -0.79 0.25 -0.36 1.98 0.00 0.00 0.00 176.54 177.62 1rr2 h MET 311 N 0.78 0.91 -0.72 4.80 -1.53 -1.11 -1.97 114.93 116.10 1rr2 h MET 311 Ca 0.30 -0.47 -0.06 0.00 -3.44 0.00 0.00 59.70 56.02 1rr2 h MET 311 Cb 0.18 0.01 -0.03 0.00 -0.55 0.00 0.00 31.60 31.22 1rr2 h MET 311 CO -0.09 1.13 0.21 1.25 0.14 0.00 0.00 176.91 179.54 1rr2 h LEU 312 N 0.72 1.05 -0.17 3.39 5.85 -0.30 -2.44 115.31 123.41 1rr2 h LEU 312 Ca 0.06 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 1rr2 h LEU 312 Cb 0.95 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1rr2 h LEU 312 CO 0.09 0.98 0.02 0.77 -0.34 0.00 0.00 178.44 179.96 1rr2 h SER 313 N 1.07 0.28 -0.67 1.25 4.64 -1.03 0.29 113.55 119.38 1rr2 h SER 313 Ca 0.23 -0.28 0.11 0.00 -0.47 0.00 0.00 61.79 61.38 1rr2 h SER 313 Cb 0.32 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.29 1rr2 h SER 313 CO -0.01 0.49 0.45 -1.13 -0.87 0.00 0.00 176.83 175.76 1rr2 h ASN 314 N 0.06 0.40 0.15 4.97 -0.73 -1.17 -1.13 115.58 118.12 1rr2 h ASN 314 Ca 0.05 0.01 -0.24 0.00 1.87 0.00 0.00 56.30 58.00 1rr2 h ASN 314 Cb 0.34 -0.07 0.01 0.00 0.27 0.00 0.00 38.32 38.87 1rr2 h ASN 314 CO 0.01 0.23 -1.10 0.24 -0.37 0.00 0.00 177.43 176.43 1rr2 h MET 315 N 0.44 0.31 -0.54 6.67 2.86 -1.12 -3.19 114.93 120.36 1rr2 h MET 315 Ca 0.32 -0.53 0.11 0.00 -2.06 0.00 0.00 59.70 57.54 1rr2 h MET 315 Cb 0.63 0.20 -0.10 0.00 0.06 0.00 0.00 31.60 32.39 1rr2 h MET 315 CO -0.10 1.25 -0.10 1.49 1.06 0.00 0.00 176.91 180.51 1rr2 h GLU 316 N -0.29 0.02 -0.56 1.72 4.22 0.35 -0.19 114.58 119.85 1rr2 h GLU 316 Ca -0.21 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.21 1rr2 h GLU 316 Cb 1.75 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.97 1rr2 h GLU 316 CO 0.13 0.01 0.31 0.66 -2.18 0.00 0.00 179.01 177.95 1rr2 h SER 317 N 0.02 0.70 -0.05 1.04 4.64 -1.37 -1.13 113.55 117.40 1rr2 h SER 317 Ca 0.26 -0.09 0.01 0.00 -0.47 0.00 0.00 61.79 61.51 1rr2 h SER 317 Cb 0.41 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1rr2 h SER 317 CO -0.54 0.59 0.07 1.56 -0.87 0.00 0.00 176.83 177.65 1rr2 h GLN 318 N 0.75 0.00 0.16 4.77 4.20 -1.07 -0.54 115.11 123.39 1rr2 h GLN 318 Ca 0.20 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.56 1rr2 h GLN 318 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1rr2 h GLN 318 CO -0.03 0.00 -1.77 -0.07 -0.67 0.00 0.00 178.83 176.29 1rr2 h LEU 319 N 0.00 0.54 -0.10 1.46 3.38 0.05 -2.97 115.31 117.67 1rr2 h LEU 319 Ca 0.02 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.12 1rr2 h LEU 319 Cb 0.17 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1rr2 h LEU 319 CO -0.00 1.74 -0.03 -2.11 0.09 0.00 0.00 178.44 178.14 1rr2 n ARG 320 N -3.54 0.74 -0.00 1.13 -4.01 -0.85 -1.70 116.66 108.42 1rr2 n ARG 320 Ca -0.25 -0.10 0.10 0.00 -1.04 0.00 0.00 57.85 56.55 1rr2 n ARG 320 Cb 1.07 -1.50 -0.12 0.00 -3.04 0.00 0.00 32.46 28.87 1rr2 n ARG 320 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1rr2 n ALA 321 N -1.04 4.65 -0.07 2.89 0.00 -0.26 -3.81 120.51 122.87 1rr2 n ALA 321 Ca 0.18 -0.58 0.05 0.00 0.00 0.00 0.00 53.44 53.09 1rr2 n ALA 321 Cb 0.21 -0.74 0.13 0.00 0.00 0.00 0.00 19.45 19.05 1rr2 n ALA 321 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1rr2 n GLN 322 N -1.50 2.49 -0.81 0.00 1.13 -1.06 -4.98 117.38 112.66 1rr2 n GLN 322 Ca 0.04 -1.88 0.00 0.00 -1.94 0.00 0.00 57.00 53.21 1rr2 n GLN 322 Cb 0.32 -1.25 0.00 0.00 0.11 0.00 0.00 30.24 29.42 1rr2 n GLN 322 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1rr2 n GLY 323 N 0.49 0.17 2.50 1.08 0.00 -0.98 -4.89 105.19 103.57 1rr2 n GLY 323 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1rr2 n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rr2 n ALA 324 N 1.00 3.70 1.64 4.61 0.00 -0.69 -4.82 120.51 125.96 1rr2 n ALA 324 Ca 0.00 -4.34 0.03 0.00 0.00 0.00 0.00 53.44 49.14 1rr2 n ALA 324 Cb 0.19 -0.84 0.14 0.00 0.00 0.00 0.00 19.45 18.94 1rr2 n ALA 324 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1rr2 n GLU 325 N 0.54 1.27 -0.06 0.00 0.28 -1.17 -3.40 120.64 118.11 1rr2 n GLU 325 Ca 0.28 -0.42 0.01 0.00 -0.16 0.00 0.00 57.16 56.87 1rr2 n GLU 325 Cb 0.46 -1.14 0.03 0.00 1.43 0.00 0.00 31.44 32.22 1rr2 n GLU 325 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1rr2 n ASP 326 N -0.20 1.16 -0.68 -1.84 5.75 -1.26 -3.03 116.55 116.44 1rr2 n ASP 326 Ca 0.06 -2.05 0.02 0.00 -0.01 0.00 0.00 54.79 52.80 1rr2 n ASP 326 Cb 0.11 -0.43 0.02 0.00 -1.03 0.00 0.00 41.12 39.79 1rr2 n ASP 326 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1rr2 n LYS 327 N -0.02 0.15 0.31 0.11 5.02 -1.22 -4.81 118.16 117.70 1rr2 n LYS 327 Ca 0.02 -1.41 0.19 0.00 -2.02 0.00 0.00 58.31 55.09 1rr2 n LYS 327 Cb 0.27 -0.51 1.01 0.00 -0.02 0.00 0.00 35.03 35.78 1rr2 n LYS 327 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 1rr2 h MET 328 N 0.24 0.00 0.00 1.97 4.05 -1.81 -0.83 114.93 118.55 1rr2 h MET 328 Ca -0.05 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.19 1rr2 h MET 328 Cb 1.46 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.24 1rr2 h MET 328 CO 0.02 0.02 -1.12 -0.44 0.23 0.00 0.00 176.91 175.63 1rr2 h ASP 329 N 0.00 0.00 0.83 1.39 3.32 -1.88 -3.06 116.42 117.02 1rr2 h ASP 329 Ca -0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 1rr2 h ASP 329 Cb 0.13 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1rr2 h ASP 329 CO 0.00 0.71 -0.96 -0.33 -1.72 0.00 0.00 179.24 176.95 1rr2 h GLU 330 N 0.00 0.07 -0.13 3.56 5.08 -1.53 -3.05 114.58 118.58 1rr2 h GLU 330 Ca -0.11 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.02 1rr2 h GLU 330 Cb 1.64 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.93 1rr2 h GLU 330 CO 0.07 0.97 -0.45 0.28 -1.00 0.00 0.00 179.01 178.89 1rr2 h VAL 331 N 0.03 1.36 0.00 3.13 2.07 -1.46 -2.34 116.25 119.04 1rr2 h VAL 331 Ca -0.03 -1.75 -0.02 0.00 0.82 0.00 0.00 66.70 65.72 1rr2 h VAL 331 Cb 1.66 2.11 -0.00 0.00 -1.52 0.00 0.00 31.29 33.54 1rr2 h VAL 331 CO 0.13 0.53 -0.07 0.24 0.02 0.00 0.00 177.57 178.42 1rr2 h MET 332 N 0.14 0.00 0.00 1.57 2.86 -1.60 0.23 114.93 118.13 1rr2 h MET 332 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1rr2 h MET 332 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 1rr2 h MET 332 CO 0.10 0.07 -0.55 0.00 1.06 0.00 0.00 176.91 177.59 1rr2 h ALA 333 N 1.93 0.72 0.05 6.32 0.00 -1.42 -3.32 119.26 123.54 1rr2 h ALA 333 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 1rr2 h ALA 333 Cb 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1rr2 h ALA 333 CO 0.01 0.00 -1.46 1.49 0.00 0.00 0.00 179.25 179.29 1rr2 h GLU 334 N 0.00 0.11 -0.20 0.00 4.57 -0.45 -3.38 114.58 115.23 1rr2 h GLU 334 Ca 0.00 -0.18 0.05 0.00 -1.18 0.00 0.00 59.36 58.04 1rr2 h GLU 334 Cb 1.00 0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 29.59 1rr2 h GLU 334 CO 0.00 0.89 -0.46 0.28 -1.18 0.00 0.00 179.01 178.54 1rr2 h VAL 335 N 0.03 0.09 -0.87 0.32 2.07 -1.27 -0.57 116.25 116.05 1rr2 h VAL 335 Ca -0.20 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.52 1rr2 h VAL 335 Cb 1.95 0.09 -0.12 0.00 -1.52 0.00 0.00 31.29 31.69 1rr2 h VAL 335 CO 0.12 0.00 0.35 -0.65 0.02 0.00 0.00 177.57 177.42 1rr2 h PRO 336 N -0.48 0.37 -0.43 1.57 0.11 -1.75 0.12 132.00 131.52 1rr2 h PRO 336 Ca 0.08 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.11 1rr2 h PRO 336 Cb 0.63 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.64 1rr2 h PRO 336 CO -0.45 0.25 0.07 0.00 -0.21 0.00 0.00 178.00 177.65 1rr2 h ARG 337 N 0.39 0.71 -0.25 1.05 3.08 -1.36 -0.66 114.38 117.34 1rr2 h ARG 337 Ca 0.53 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.36 1rr2 h ARG 337 Cb 0.98 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1rr2 h ARG 337 CO -0.52 0.75 0.07 0.28 -1.07 0.00 0.00 179.97 179.47 1rr2 h VAL 338 N 0.57 1.21 -0.20 2.04 2.07 0.30 -1.26 116.25 120.97 1rr2 h VAL 338 Ca 0.13 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 67.03 1rr2 h VAL 338 Cb 0.38 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 1rr2 h VAL 338 CO 0.01 0.22 -0.12 -0.09 0.02 0.00 0.00 177.57 177.60 1rr2 h ARG 339 N 0.23 -0.11 -0.44 1.57 2.43 -0.70 -0.12 114.38 117.24 1rr2 h ARG 339 Ca 0.08 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.35 1rr2 h ARG 339 Cb 0.27 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.75 1rr2 h ARG 339 CO -0.00 -0.07 -0.21 -0.22 -1.51 0.00 0.00 179.97 177.95 1rr2 h LYS 340 N -0.12 -0.12 -0.25 0.20 1.63 -0.95 0.04 116.57 117.01 1rr2 h LYS 340 Ca 0.11 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 1rr2 h LYS 340 Cb 0.28 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 1rr2 h LYS 340 CO -0.27 -0.08 0.13 0.00 -3.45 0.00 0.00 179.45 175.78 1rr2 h ALA 341 N 1.16 1.75 -0.01 5.00 0.00 -0.28 -0.92 119.26 125.97 1rr2 h ALA 341 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1rr2 h ALA 341 Cb 0.45 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1rr2 h ALA 341 CO -0.52 0.21 -0.00 0.00 0.00 0.00 0.00 179.25 178.94 1rr2 n ALA 342 N -2.50 2.64 -0.64 0.00 0.00 -0.15 -2.60 120.51 117.27 1rr2 n ALA 342 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1rr2 n ALA 342 Cb 0.10 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1rr2 n ALA 342 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rr2 n GLY 343 N 1.08 0.92 3.55 0.00 0.00 -0.35 -4.42 105.19 105.96 1rr2 n GLY 343 Ca 0.22 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 1rr2 n GLY 343 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1rr2 n PHE 344 N -2.43 -2.08 -1.63 1.61 3.01 -0.17 -1.88 117.46 113.89 1rr2 n PHE 344 Ca 0.00 0.85 -0.31 0.00 1.01 0.00 0.00 57.45 58.99 1rr2 n PHE 344 Cb 0.09 -4.53 0.05 0.00 -0.01 0.00 0.00 39.48 35.08 1rr2 n PHE 344 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1rr2 s PRO 345 N -5.55 2.90 0.51 -1.08 0.04 -1.26 -4.58 135.00 125.97 1rr2 s PRO 345 Ca 0.09 1.07 -0.23 0.00 0.04 0.00 0.00 61.00 61.97 1rr2 s PRO 345 Cb -0.02 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 1rr2 s PRO 345 CO 0.78 -1.14 1.33 -2.14 0.04 0.00 0.00 177.00 175.87 1rr2 s PRO 346 N -4.77 3.37 -1.28 0.56 0.02 -1.25 -4.87 135.00 126.78 1rr2 s PRO 346 Ca 0.60 2.18 -0.07 0.00 0.02 0.00 0.00 61.00 63.73 1rr2 s PRO 346 Cb -0.15 -2.37 0.16 0.00 0.02 0.00 0.00 34.50 32.16 1rr2 s PRO 346 CO 0.51 -0.99 2.06 1.28 -0.33 0.00 0.00 177.00 179.53 1rr2 n LEU 347 N -0.74 7.23 -4.53 -5.54 4.77 -1.26 -4.59 117.00 112.33 1rr2 n LEU 347 Ca 0.09 -4.79 -0.25 0.00 -0.03 0.00 0.00 56.01 51.02 1rr2 n LEU 347 Cb 0.45 -1.41 -0.10 0.00 -2.33 0.00 0.00 43.42 40.02 1rr2 n LEU 347 CO 0.53 1.69 -0.39 0.68 -1.33 0.00 0.00 177.39 178.57 1rr2 s VAL 348 N -0.51 2.18 0.32 4.08 -7.23 -1.26 -4.62 120.40 113.37 1rr2 s VAL 348 Ca 0.45 -2.20 -0.29 0.00 -1.81 0.00 0.00 61.98 58.12 1rr2 s VAL 348 Cb 0.13 -2.61 -0.12 0.00 0.56 0.00 0.00 36.38 34.34 1rr2 s VAL 348 CO -0.03 -0.22 1.55 0.41 -0.31 0.00 0.00 175.10 176.50 1rr2 n THR 349 N -0.77 1.36 1.08 5.32 -1.04 -1.26 -1.03 114.28 117.94 1rr2 n THR 349 Ca -0.05 -0.34 0.12 0.00 -2.04 0.00 0.00 64.05 61.74 1rr2 n THR 349 Cb 0.63 -1.94 0.16 0.00 -1.82 0.00 0.00 70.33 67.36 1rr2 n THR 349 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1rr2 n PRO 350 N 1.56 0.52 -0.32 -2.82 -0.04 -1.26 -4.78 135.00 127.84 1rr2 n PRO 350 Ca 0.06 -0.36 0.14 0.00 -0.04 0.00 0.00 63.50 63.30 1rr2 n PRO 350 Cb 0.37 -1.49 0.33 0.00 -0.04 0.00 0.00 33.50 32.67 1rr2 n PRO 350 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1rr2 h SER 351 N 0.89 0.54 -0.29 3.54 0.02 -1.38 -1.60 113.55 115.27 1rr2 h SER 351 Ca 0.00 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1rr2 h SER 351 Cb 0.56 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1rr2 h SER 351 CO 0.00 0.10 0.15 0.77 -1.14 0.00 0.00 176.83 176.71 1rr2 h SER 352 N 0.54 0.36 -0.49 3.07 4.64 -1.55 -0.04 113.55 120.07 1rr2 h SER 352 Ca 0.58 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.71 1rr2 h SER 352 Cb 1.05 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.03 1rr2 h SER 352 CO -0.47 0.35 -0.06 1.56 -0.87 0.00 0.00 176.83 177.34 1rr2 h GLN 353 N 0.34 0.91 0.64 4.77 7.50 -1.61 0.43 115.11 128.10 1rr2 h GLN 353 Ca 0.10 -0.32 -0.03 0.00 0.50 0.00 0.00 58.65 58.90 1rr2 h GLN 353 Cb 0.07 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.54 1rr2 h GLN 353 CO -0.02 0.97 -0.33 0.82 -1.50 0.00 0.00 178.83 178.78 1rr2 h ILE 354 N 0.77 0.32 -0.75 2.54 2.04 -1.15 0.20 117.51 121.48 1rr2 h ILE 354 Ca 0.13 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.00 1rr2 h ILE 354 Cb 0.60 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1rr2 h ILE 354 CO 0.04 0.00 0.50 0.58 0.00 0.00 0.00 178.15 179.27 1rr2 h VAL 355 N -0.90 1.19 -0.31 1.67 2.07 -1.00 -0.81 116.25 118.16 1rr2 h VAL 355 Ca -0.09 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1rr2 h VAL 355 Cb 0.70 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1rr2 h VAL 355 CO 0.13 0.19 0.13 1.23 0.02 0.00 0.00 177.57 179.26 1rr2 h GLY 356 N 1.02 0.49 0.88 2.17 0.00 -0.69 -0.26 103.07 106.69 1rr2 h GLY 356 Ca 0.28 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 1rr2 h GLY 356 CO -0.06 0.25 0.03 -0.84 0.00 0.00 0.00 176.54 175.92 1rr2 h THR 357 N 0.36 1.24 -0.40 4.70 2.02 -0.41 -2.52 112.91 117.90 1rr2 h THR 357 Ca 0.10 -0.84 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 1rr2 h THR 357 Cb 0.17 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1rr2 h THR 357 CO -0.01 0.27 0.16 -0.61 0.37 0.00 0.00 175.52 175.70 1rr2 h GLN 358 N 0.30 0.56 -0.71 6.66 5.75 -1.05 -1.74 115.11 124.88 1rr2 h GLN 358 Ca 0.09 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.46 1rr2 h GLN 358 Cb 0.37 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 1rr2 h GLN 358 CO 0.01 0.47 0.24 0.00 -2.65 0.00 0.00 178.83 176.90 1rr2 h ALA 359 N 1.62 1.08 -0.05 3.38 0.00 -0.75 -2.81 119.26 121.73 1rr2 h ALA 359 Ca 0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1rr2 h ALA 359 Cb 0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1rr2 h ALA 359 CO -0.01 0.63 0.03 0.28 0.00 0.00 0.00 179.25 180.18 1rr2 h VAL 360 N 1.05 1.07 -0.18 0.00 2.07 -0.90 -2.86 116.25 116.49 1rr2 h VAL 360 Ca 0.23 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.62 1rr2 h VAL 360 Cb 0.26 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 1rr2 h VAL 360 CO -0.01 0.06 -0.21 -0.26 0.02 0.00 0.00 177.57 177.16 1rr2 h PHE 361 N 0.00 -0.55 -0.29 1.57 0.05 -1.32 0.14 116.94 116.55 1rr2 h PHE 361 Ca 0.02 0.03 0.08 0.00 3.82 0.00 0.00 57.97 61.92 1rr2 h PHE 361 Cb 0.07 0.27 -0.01 0.00 2.00 0.00 0.00 35.95 38.28 1rr2 h PHE 361 CO -0.05 -0.29 0.36 -0.91 -0.18 0.00 0.00 178.31 177.24 1rr2 h ASN 362 N -0.24 0.00 0.64 2.17 4.21 -1.41 0.40 115.58 121.36 1rr2 h ASN 362 Ca 0.12 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.63 1rr2 h ASN 362 Cb 0.42 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 1rr2 h ASN 362 CO -0.32 0.00 -0.34 0.52 -1.29 0.00 0.00 177.43 176.00 1rr2 n VAL 363 N -3.60 0.00 0.00 2.81 0.31 0.01 -2.83 118.33 115.03 1rr2 n VAL 363 Ca 0.04 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1rr2 n VAL 363 Cb 0.50 0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 1rr2 n VAL 363 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1rr2 n MET 364 N -1.47 0.00 0.00 5.55 2.81 0.11 -4.79 117.12 119.33 1rr2 n MET 364 Ca 0.06 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.97 1rr2 n MET 364 Cb 0.34 0.00 0.07 0.00 -0.71 0.00 0.00 33.22 32.91 1rr2 n MET 364 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1rr2 n MET 365 N -1.77 0.00 0.00 0.03 2.81 0.36 -4.90 117.12 113.64 1rr2 n MET 365 Ca 0.00 0.46 0.00 0.00 -1.81 0.00 0.00 57.70 56.35 1rr2 n MET 365 Cb 0.00 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.00 1rr2 n MET 365 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rr2 n GLY 366 N -1.25 2.75 3.62 3.03 0.00 -1.02 -4.61 105.19 107.71 1rr2 n GLY 366 Ca 0.01 -1.68 -0.50 0.00 0.00 0.00 0.00 46.02 43.85 1rr2 n GLY 366 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1rr2 n GLU 367 N 0.79 1.66 -1.39 1.61 2.13 -1.13 -1.01 120.64 123.29 1rr2 n GLU 367 Ca 0.00 0.56 -0.12 0.00 0.66 0.00 0.00 57.16 58.26 1rr2 n GLU 367 Cb 0.00 -2.53 -0.05 0.00 0.27 0.00 0.00 31.44 29.12 1rr2 n GLU 367 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1rr2 n TYR 368 N 7.69 -0.44 -0.08 4.31 0.53 -1.26 -4.80 117.16 123.10 1rr2 n TYR 368 Ca 0.29 0.00 -0.07 0.00 -1.02 0.00 0.00 57.90 57.10 1rr2 n TYR 368 Cb 0.26 -2.48 -0.00 0.00 -1.03 0.00 0.00 39.34 36.08 1rr2 n TYR 368 CO 0.00 0.00 0.00 -0.22 -1.02 0.00 0.00 176.86 175.62 1rr2 h LYS 369 N 0.00 0.24 -4.09 -0.72 1.63 -1.33 -3.40 116.57 108.90 1rr2 h LYS 369 Ca -0.25 -0.01 -0.51 0.00 -0.85 0.00 0.00 60.65 59.03 1rr2 h LYS 369 Cb 0.82 -0.06 -0.37 0.00 -0.60 0.00 0.00 32.23 32.02 1rr2 h LYS 369 CO 0.37 0.16 -0.79 0.50 -3.45 0.00 0.00 179.45 176.24 1rr2 s ARG 370 N -6.17 1.30 -0.13 1.90 3.52 -1.26 -5.08 118.95 113.02 1rr2 s ARG 370 Ca -0.13 -0.17 -0.06 0.00 -0.13 0.00 0.00 55.73 55.24 1rr2 s ARG 370 Cb 0.11 -1.45 -0.04 0.00 -1.56 0.00 0.00 34.95 32.01 1rr2 s ARG 370 CO 0.70 -0.28 0.07 -1.64 -0.81 0.00 0.00 175.30 173.34 1rr2 s MET 371 N 1.77 3.52 0.99 5.12 -1.94 -1.26 -4.85 119.30 122.65 1rr2 s MET 371 Ca 0.05 -0.29 -0.12 0.00 -1.71 0.00 0.00 55.69 53.62 1rr2 s MET 371 Cb -0.13 -3.09 0.18 0.00 2.01 0.00 0.00 34.83 33.81 1rr2 s MET 371 CO -0.07 0.56 1.08 0.95 -0.01 0.00 0.00 175.02 177.53 1rr2 s THR 372 N -0.45 2.32 0.24 2.05 -4.23 -1.26 -4.82 115.64 109.48 1rr2 s THR 372 Ca 0.10 0.10 -0.02 0.00 -1.18 0.00 0.00 61.69 60.69 1rr2 s THR 372 Cb -0.12 -2.38 0.05 0.00 1.34 0.00 0.00 72.50 71.38 1rr2 s THR 372 CO 0.02 -0.14 1.66 1.23 -0.54 0.00 0.00 174.62 176.85 1rr2 h GLY 373 N -1.96 0.73 0.79 3.99 0.00 -1.99 -2.18 103.07 102.45 1rr2 h GLY 373 Ca -0.52 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.18 1rr2 h GLY 373 CO 0.51 0.56 0.01 0.83 0.00 0.00 0.00 176.54 178.45 1rr2 h GLU 374 N 0.59 0.22 -0.87 4.80 3.07 -1.99 -2.24 114.58 118.16 1rr2 h GLU 374 Ca 0.08 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1rr2 h GLU 374 Cb 0.71 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.56 1rr2 h GLU 374 CO 0.05 0.43 0.46 0.35 -1.40 0.00 0.00 179.01 178.91 1rr2 h PHE 375 N -0.02 1.20 -0.69 4.33 3.57 -1.86 -1.73 116.94 121.73 1rr2 h PHE 375 Ca 0.04 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1rr2 h PHE 375 Cb 0.32 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 1rr2 h PHE 375 CO 0.02 0.84 0.40 0.00 -2.23 0.00 0.00 178.31 177.34 1rr2 h ALA 376 N 1.29 0.88 -0.68 2.41 0.00 -1.29 -1.62 119.26 120.25 1rr2 h ALA 376 Ca 0.30 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1rr2 h ALA 376 Cb 0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1rr2 h ALA 376 CO -0.05 0.38 0.29 -0.44 0.00 0.00 0.00 179.25 179.43 1rr2 h ASP 377 N 0.94 0.90 -0.20 0.00 3.45 -0.79 0.55 116.42 121.27 1rr2 h ASP 377 Ca 0.25 -0.11 -0.04 0.00 0.43 0.00 0.00 57.03 57.55 1rr2 h ASP 377 Cb 0.01 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.54 1rr2 h ASP 377 CO -0.04 0.79 -0.02 0.40 -1.57 0.00 0.00 179.24 178.79 1rr2 h ILE 378 N 0.97 1.27 0.00 0.35 2.04 -0.81 0.10 117.51 121.43 1rr2 h ILE 378 Ca 0.23 -0.94 -0.05 0.00 1.00 0.00 0.00 64.86 65.10 1rr2 h ILE 378 Cb 0.15 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1rr2 h ILE 378 CO -0.02 0.29 -0.25 0.24 0.00 0.00 0.00 178.15 178.40 1rr2 h MET 379 N 0.11 0.00 -0.06 2.37 2.86 -1.01 -2.47 114.93 116.73 1rr2 h MET 379 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1rr2 h MET 379 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1rr2 h MET 379 CO 0.01 0.25 0.00 1.28 1.06 0.00 0.00 176.91 179.52 1rr2 n LEU 380 N -3.85 1.95 0.00 1.22 4.77 0.16 -4.83 117.00 116.43 1rr2 n LEU 380 Ca -0.02 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 1rr2 n LEU 380 Cb 0.34 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1rr2 n LEU 380 CO 0.35 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1rr2 n GLY 381 N 1.22 0.57 0.00 -0.72 0.00 -0.75 -1.30 105.19 104.22 1rr2 n GLY 381 Ca 0.18 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 46.04 1rr2 n GLY 381 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rr2 n TYR 382 N -2.81 0.00 0.69 1.61 4.02 0.29 -2.07 117.16 118.90 1rr2 n TYR 382 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.96 1rr2 n TYR 382 Cb 0.00 -0.30 -0.03 0.00 -0.02 0.00 0.00 39.34 38.99 1rr2 n TYR 382 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1rr2 n TYR 383 N -1.30 0.00 0.00 -0.72 0.53 -1.25 -4.76 117.16 109.66 1rr2 n TYR 383 Ca 0.12 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.00 1rr2 n TYR 383 Cb 0.21 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.52 1rr2 n TYR 383 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1rr2 n GLY 384 N 1.21 0.22 3.82 2.72 0.00 -0.88 -4.91 105.19 107.38 1rr2 n GLY 384 Ca 0.05 -2.30 -0.33 0.00 0.00 0.00 0.00 46.02 43.44 1rr2 n GLY 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rr2 s ALA 385 N -2.00 3.12 0.28 4.61 0.00 -1.26 -4.60 121.76 121.91 1rr2 s ALA 385 Ca 0.00 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.31 1rr2 s ALA 385 Cb 0.00 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 1rr2 s ALA 385 CO 0.00 0.18 0.46 -1.12 0.00 0.00 0.00 175.76 175.28 1rr2 s SER 386 N -2.13 6.32 0.57 0.00 0.01 -1.26 -4.54 113.70 112.68 1rr2 s SER 386 Ca 0.59 0.33 0.26 0.00 1.31 0.00 0.00 55.95 58.44 1rr2 s SER 386 Cb -0.10 -1.98 1.63 0.00 0.21 0.00 0.00 66.02 65.78 1rr2 s SER 386 CO 0.15 -0.17 2.16 -0.65 0.41 0.00 0.00 173.24 175.14 1rr2 h PRO 387 N 1.15 0.00 -4.76 12.44 0.11 -1.73 -3.43 132.00 135.79 1rr2 h PRO 387 Ca -0.50 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.32 1rr2 h PRO 387 Cb 1.22 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.18 1rr2 h PRO 387 CO 0.63 0.00 -0.64 0.00 -0.21 0.00 0.00 178.00 177.77 1rr2 s ALA 388 N -4.74 1.38 0.39 -0.75 0.00 -0.79 -5.05 121.76 112.20 1rr2 s ALA 388 Ca -0.05 -1.66 -0.26 0.00 0.00 0.00 0.00 51.96 49.99 1rr2 s ALA 388 Cb 0.16 0.80 -0.09 0.00 0.00 0.00 0.00 23.12 23.99 1rr2 s ALA 388 CO 0.58 -0.40 1.26 -0.51 0.00 0.00 0.00 175.76 176.68 1rr2 s ASP 389 N -3.19 6.44 0.12 0.00 1.01 -1.26 -4.46 116.67 115.33 1rr2 s ASP 389 Ca 0.29 2.55 -0.17 0.00 0.71 0.00 0.00 52.55 55.93 1rr2 s ASP 389 Cb 0.07 -2.63 -0.07 0.00 1.01 0.00 0.00 42.92 41.30 1rr2 s ASP 389 CO 0.07 -0.75 0.58 -0.13 0.21 0.00 0.00 175.17 175.16 1rr2 s ARG 390 N -2.19 4.12 -0.51 8.23 0.52 -1.26 -4.43 118.95 123.44 1rr2 s ARG 390 Ca 0.56 0.66 -0.36 0.00 -0.52 0.00 0.00 55.73 56.07 1rr2 s ARG 390 Cb -0.36 -3.07 -0.15 0.00 0.52 0.00 0.00 34.95 31.89 1rr2 s ARG 390 CO 0.46 0.55 2.28 -3.47 0.02 0.00 0.00 175.30 175.13 1rr2 n ASP 391 N 1.24 1.47 0.06 0.23 -0.08 -1.07 -4.79 116.55 113.60 1rr2 n ASP 391 Ca -0.07 0.36 0.18 0.00 -1.51 0.00 0.00 54.79 53.75 1rr2 n ASP 391 Cb 0.51 -1.14 0.69 0.00 2.34 0.00 0.00 41.12 43.52 1rr2 n ASP 391 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1rr2 h PRO 392 N 12.05 0.00 -0.38 -0.67 0.11 -1.93 0.27 132.00 141.45 1rr2 h PRO 392 Ca -0.19 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.80 1rr2 h PRO 392 Cb 1.34 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.44 1rr2 h PRO 392 CO 1.11 0.00 -0.24 0.87 -0.21 0.00 0.00 178.00 179.53 1rr2 h LYS 393 N 0.00 0.84 0.00 1.05 1.57 -2.00 -0.29 116.57 117.73 1rr2 h LYS 393 Ca 0.20 -0.39 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 1rr2 h LYS 393 Cb 0.82 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1rr2 h LYS 393 CO -0.00 1.03 -0.36 0.28 -0.57 0.00 0.00 179.45 179.82 1rr2 h VAL 394 N 0.64 0.80 -0.08 0.50 2.07 -1.53 -2.93 116.25 115.71 1rr2 h VAL 394 Ca 0.08 -1.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.00 1rr2 h VAL 394 Cb 0.80 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1rr2 h VAL 394 CO 0.07 0.36 -0.06 0.58 0.02 0.00 0.00 177.57 178.53 1rr2 h VAL 395 N 0.00 1.34 -0.41 2.57 2.07 -0.66 -2.62 116.25 118.54 1rr2 h VAL 395 Ca -0.00 -1.14 0.05 0.00 0.82 0.00 0.00 66.70 66.42 1rr2 h VAL 395 Cb 0.96 1.92 -0.04 0.00 -1.52 0.00 0.00 31.29 32.61 1rr2 h VAL 395 CO 0.05 0.32 0.15 0.50 0.02 0.00 0.00 177.57 178.61 1rr2 h LYS 396 N -0.20 0.31 -0.77 1.57 3.64 -0.99 -1.19 116.57 118.93 1rr2 h LYS 396 Ca 0.02 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1rr2 h LYS 396 Cb 0.54 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.23 1rr2 h LYS 396 CO 0.02 0.21 0.47 -0.07 -2.27 0.00 0.00 179.45 177.81 1rr2 h LEU 397 N 0.32 0.75 -1.47 5.20 3.38 -1.52 -0.09 115.31 121.87 1rr2 h LEU 397 Ca 0.19 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.20 1rr2 h LEU 397 Cb 0.16 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1rr2 h LEU 397 CO -0.18 0.50 0.38 0.00 0.09 0.00 0.00 178.44 179.23 1rr2 h ALA 398 N 1.36 1.67 -0.06 1.53 0.00 -0.87 0.25 119.26 123.15 1rr2 h ALA 398 Ca 0.33 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.05 1rr2 h ALA 398 Cb 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1rr2 h ALA 398 CO -0.15 0.27 -0.67 1.49 0.00 0.00 0.00 179.25 180.19 1rr2 h GLU 399 N 0.70 0.25 -0.00 0.00 4.81 -0.01 -2.15 114.58 118.17 1rr2 h GLU 399 Ca 0.23 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1rr2 h GLU 399 Cb 0.04 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1rr2 h GLU 399 CO -0.06 0.83 -0.31 0.39 -0.73 0.00 0.00 179.01 179.14 1rr2 n GLU 400 N -3.83 0.18 0.00 1.92 1.02 -0.38 -0.63 120.64 118.92 1rr2 n GLU 400 Ca -0.03 -0.08 0.08 0.00 -0.02 0.00 0.00 57.16 57.10 1rr2 n GLU 400 Cb 0.67 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.58 1rr2 n GLU 400 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1rr2 n GLN 401 N -1.34 1.76 0.00 3.49 6.02 0.76 -4.63 117.38 123.43 1rr2 n GLN 401 Ca 0.08 -0.71 0.00 0.00 -0.01 0.00 0.00 57.00 56.35 1rr2 n GLN 401 Cb 0.33 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.34 1rr2 n GLN 401 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1rr2 n SER 402 N -0.25 2.57 0.00 1.08 3.41 -0.82 -4.97 113.62 114.63 1rr2 n SER 402 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1rr2 n SER 402 Cb 0.32 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1rr2 n SER 402 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rr2 n GLY 403 N 2.21 0.75 3.86 5.00 0.00 0.20 -5.05 105.19 112.15 1rr2 n GLY 403 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1rr2 n GLY 403 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rr2 s LYS 404 N -0.54 3.89 0.06 1.61 1.02 -1.26 -5.04 119.74 119.50 1rr2 s LYS 404 Ca 0.00 0.50 -0.17 0.00 0.02 0.00 0.00 55.97 56.33 1rr2 s LYS 404 Cb 0.00 -2.48 -0.06 0.00 -0.52 0.00 0.00 37.83 34.76 1rr2 s LYS 404 CO 0.00 0.16 0.51 0.15 -0.92 0.00 0.00 175.35 175.25 1rr2 s LYS 405 N -3.14 4.05 0.00 1.68 1.02 -1.26 -4.60 119.74 117.49 1rr2 s LYS 405 Ca 0.51 0.57 -0.30 0.00 0.02 0.00 0.00 55.97 56.77 1rr2 s LYS 405 Cb -0.10 -3.17 -0.07 0.00 -0.52 0.00 0.00 37.83 33.97 1rr2 s LYS 405 CO 0.22 0.62 1.62 -2.14 -0.92 0.00 0.00 175.35 174.75 1rr2 s PRO 406 N -1.29 4.20 0.40 -1.68 0.02 -1.26 -4.99 135.00 130.40 1rr2 s PRO 406 Ca 0.29 2.21 0.08 0.00 0.02 0.00 0.00 61.00 63.60 1rr2 s PRO 406 Cb -0.18 -3.79 -0.03 0.00 0.02 0.00 0.00 34.50 30.53 1rr2 s PRO 406 CO 0.17 -0.76 0.32 0.96 -0.33 0.00 0.00 177.00 177.36 1rr2 s ILE 407 N 3.29 2.79 0.00 2.83 -4.36 -0.42 -5.04 121.20 120.29 1rr2 s ILE 407 Ca 0.72 -1.42 0.00 0.00 -0.26 0.00 0.00 60.65 59.69 1rr2 s ILE 407 Cb -0.35 -3.03 0.00 0.00 1.25 0.00 0.00 42.46 40.33 1rr2 s ILE 407 CO 0.30 -0.04 0.00 0.35 0.24 0.00 0.00 174.94 175.79 1rr2 n THR 408 N -1.45 0.00 -2.75 8.37 -2.24 -1.26 -4.29 114.28 110.66 1rr2 n THR 408 Ca 0.02 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.57 1rr2 n THR 408 Cb 0.62 1.47 0.03 0.00 -2.10 0.00 0.00 70.33 70.35 1rr2 n THR 408 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1rr2 s GLN 409 N 0.00 2.78 -0.02 -0.78 2.00 -1.26 -4.84 119.66 117.55 1rr2 s GLN 409 Ca 0.00 -0.56 -0.36 0.00 -2.00 0.00 0.00 55.36 52.44 1rr2 s GLN 409 Cb 0.00 -2.48 -0.14 0.00 0.80 0.00 0.00 33.01 31.19 1rr2 s GLN 409 CO 0.00 -0.55 1.68 -2.13 -0.50 0.00 0.00 175.29 173.79 1rr2 n ARG 410 N -2.28 1.83 -0.17 1.67 0.63 -1.26 -4.85 116.66 112.23 1rr2 n ARG 410 Ca 0.05 0.67 0.15 0.00 -0.92 0.00 0.00 57.85 57.79 1rr2 n ARG 410 Cb 0.59 -2.43 0.50 0.00 0.45 0.00 0.00 32.46 31.56 1rr2 n ARG 410 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1rr2 h PRO 411 N 7.12 0.42 0.00 -0.14 0.11 -1.86 -1.65 132.00 136.01 1rr2 h PRO 411 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1rr2 h PRO 411 Cb 1.28 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1rr2 h PRO 411 CO 0.90 0.28 0.00 0.00 -0.21 0.00 0.00 178.00 178.97 1rr2 n ALA 412 N -2.52 1.60 0.29 -0.75 0.00 -1.26 -2.14 120.51 115.73 1rr2 n ALA 412 Ca 0.14 0.01 0.17 0.00 0.00 0.00 0.00 53.44 53.76 1rr2 n ALA 412 Cb 0.52 -1.27 0.81 0.00 0.00 0.00 0.00 19.45 19.51 1rr2 n ALA 412 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1rr2 h ASP 413 N 0.00 0.00 0.18 0.00 5.19 -1.66 -2.57 116.42 117.55 1rr2 h ASP 413 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1rr2 h ASP 413 Cb 0.26 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.77 1rr2 h ASP 413 CO 0.00 0.05 -1.46 0.18 -3.12 0.00 0.00 179.24 174.89 1rr2 n LEU 414 N -3.25 0.44 -4.71 1.55 4.77 -0.91 -4.94 117.00 109.95 1rr2 n LEU 414 Ca -0.01 -0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.45 1rr2 n LEU 414 Cb 0.24 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1rr2 n LEU 414 CO 0.27 0.05 0.95 -0.76 -1.33 0.00 0.00 177.39 176.57 1rr2 s LEU 415 N -4.09 4.37 0.62 2.23 1.43 -0.97 -5.03 118.68 117.25 1rr2 s LEU 415 Ca -0.01 2.13 -0.06 0.00 -1.03 0.00 0.00 54.13 55.16 1rr2 s LEU 415 Cb 0.14 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.80 1rr2 s LEU 415 CO 0.87 -0.54 0.94 -2.16 0.23 0.00 0.00 176.35 175.69 1rr2 s PRO 416 N 1.08 2.74 0.45 1.29 0.04 -1.26 -4.85 135.00 134.49 1rr2 s PRO 416 Ca 0.61 -0.04 -0.25 0.00 0.04 0.00 0.00 61.00 61.36 1rr2 s PRO 416 Cb -0.32 -2.23 -0.09 0.00 0.04 0.00 0.00 34.50 31.90 1rr2 s PRO 416 CO 0.30 -0.85 1.33 -2.30 0.04 0.00 0.00 177.00 175.51 1rr2 n PRO 417 N -2.69 1.99 0.00 0.56 -0.02 -1.26 -4.68 135.00 128.90 1rr2 n PRO 417 Ca 0.06 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1rr2 n PRO 417 Cb 0.58 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1rr2 n PRO 417 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1rr2 n GLU 418 N -0.17 0.14 0.08 -0.52 0.28 -1.26 -4.90 120.64 114.30 1rr2 n GLU 418 Ca 0.07 -0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.93 1rr2 n GLU 418 Cb 0.41 -0.01 -0.07 0.00 1.43 0.00 0.00 31.44 33.20 1rr2 n GLU 418 CO 0.00 0.00 0.00 2.35 -0.16 0.00 0.00 177.13 179.32 1rr2 h TRP 419 N 0.00 -1.13 -0.98 -1.84 2.91 -1.96 0.10 115.95 113.06 1rr2 h TRP 419 Ca 0.00 0.03 0.14 0.00 1.13 0.00 0.00 58.89 60.20 1rr2 h TRP 419 Cb 0.00 0.49 -0.09 0.00 -0.51 0.00 0.00 29.16 29.05 1rr2 h TRP 419 CO 0.00 -0.49 0.62 1.49 -1.03 0.00 0.00 178.44 179.02 1rr2 h GLU 420 N -0.59 0.84 -0.39 2.65 4.57 -1.99 0.19 114.58 119.86 1rr2 h GLU 420 Ca 0.04 -0.05 -0.15 0.00 -1.18 0.00 0.00 59.36 58.02 1rr2 h GLU 420 Cb 0.65 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1rr2 h GLU 420 CO -0.28 0.56 -0.35 -0.22 -1.18 0.00 0.00 179.01 177.54 1rr2 h LYS 421 N 0.86 0.89 -0.29 1.92 3.64 -1.68 -2.21 116.57 119.70 1rr2 h LYS 421 Ca 0.51 -0.44 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1rr2 h LYS 421 Cb 0.65 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1rr2 h LYS 421 CO -0.28 1.09 0.03 1.96 -2.27 0.00 0.00 179.45 179.98 1rr2 h GLN 422 N 0.74 0.50 -0.12 1.90 1.08 0.12 -2.57 115.11 116.75 1rr2 h GLN 422 Ca 0.07 -0.15 0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1rr2 h GLN 422 Cb 0.92 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.28 1rr2 h GLN 422 CO 0.09 0.63 -0.03 0.77 -0.95 0.00 0.00 178.83 179.33 1rr2 h SER 423 N 0.31 -0.11 0.27 1.46 0.02 -0.67 -0.31 113.55 114.52 1rr2 h SER 423 Ca 0.09 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1rr2 h SER 423 Cb 0.38 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 1rr2 h SER 423 CO 0.01 -0.04 -0.32 0.50 -1.14 0.00 0.00 176.83 175.84 1rr2 h LYS 424 N 0.00 -0.62 -0.47 3.45 3.64 -1.37 -0.83 116.57 120.38 1rr2 h LYS 424 Ca 0.06 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 1rr2 h LYS 424 Cb 0.08 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1rr2 h LYS 424 CO -0.12 -0.41 0.25 0.93 -2.27 0.00 0.00 179.45 177.82 1rr2 h GLU 425 N -0.64 0.47 -0.62 1.90 5.08 -1.32 -2.41 114.58 117.05 1rr2 h GLU 425 Ca -0.00 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1rr2 h GLU 425 Cb 0.61 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1rr2 h GLU 425 CO -0.10 0.31 0.28 0.00 -1.00 0.00 0.00 179.01 178.51 1rr2 h ALA 426 N 1.25 1.34 0.00 3.43 0.00 -0.83 -2.31 119.26 122.13 1rr2 h ALA 426 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1rr2 h ALA 426 Cb 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1rr2 h ALA 426 CO -0.14 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1rr2 n ALA 427 N -2.45 1.65 1.13 0.00 0.00 -0.33 -1.84 120.51 118.67 1rr2 n ALA 427 Ca 0.05 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.57 1rr2 n ALA 427 Cb 0.14 -1.19 0.20 0.00 0.00 0.00 0.00 19.45 18.60 1rr2 n ALA 427 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rr2 n THR 428 N -1.37 0.00 -3.21 0.00 -2.24 -0.87 -4.92 114.28 101.67 1rr2 n THR 428 Ca 0.05 -0.39 -0.39 0.00 -2.27 0.00 0.00 64.05 61.05 1rr2 n THR 428 Cb 0.11 1.17 -0.06 0.00 -2.10 0.00 0.00 70.33 69.46 1rr2 n THR 428 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1rr2 s LEU 429 N -2.09 4.40 0.07 3.22 1.43 -0.77 -5.02 118.68 119.92 1rr2 s LEU 429 Ca 0.29 1.13 -0.31 0.00 -1.03 0.00 0.00 54.13 54.21 1rr2 s LEU 429 Cb 0.20 -2.91 -0.09 0.00 0.03 0.00 0.00 46.19 43.43 1rr2 s LEU 429 CO 0.36 0.08 1.71 -0.75 0.23 0.00 0.00 176.35 177.98 1rr2 s LYS 430 N -0.06 4.18 0.00 1.70 2.20 -1.26 -2.06 119.74 124.44 1rr2 s LYS 430 Ca 0.31 2.40 0.00 0.00 -0.36 0.00 0.00 55.97 58.32 1rr2 s LYS 430 Cb -0.18 -3.65 0.00 0.00 -1.51 0.00 0.00 37.83 32.50 1rr2 s LYS 430 CO 0.17 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 174.79 1rr2 n GLY 431 N 4.09 1.90 3.68 5.54 0.00 -1.26 -3.29 105.19 115.85 1rr2 n GLY 431 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 1rr2 n GLY 431 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1rr2 n PHE 432 N -1.55 2.43 0.54 1.61 -0.00 -0.87 -4.87 117.46 114.75 1rr2 n PHE 432 Ca 0.00 0.14 0.10 0.00 -0.00 0.00 0.00 57.45 57.70 1rr2 n PHE 432 Cb 0.00 -2.61 0.27 0.00 -0.00 0.00 0.00 39.48 37.14 1rr2 n PHE 432 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 1rr2 n ASN 433 N 4.06 2.80 0.00 -2.13 0.23 -1.26 -4.96 115.26 114.01 1rr2 n ASN 433 Ca 0.17 -1.92 0.00 0.00 -0.53 0.00 0.00 54.58 52.30 1rr2 n ASN 433 Cb 0.31 -0.25 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 1rr2 n ASN 433 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rr2 n GLY 434 N 1.36 0.89 3.91 4.83 0.00 -1.26 -5.03 105.19 109.89 1rr2 n GLY 434 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 1rr2 n GLY 434 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rr2 s THR 435 N -3.63 4.97 0.43 2.61 -4.23 -1.26 -4.96 115.64 109.57 1rr2 s THR 435 Ca 0.00 0.09 0.11 0.00 -1.18 0.00 0.00 61.69 60.71 1rr2 s THR 435 Cb 0.00 -3.79 0.22 0.00 1.34 0.00 0.00 72.50 70.27 1rr2 s THR 435 CO 0.00 -0.54 2.03 0.44 -0.54 0.00 0.00 174.62 176.01 1rr2 h ASP 436 N 1.06 0.24 -0.62 3.99 3.32 -1.99 -1.34 116.42 121.08 1rr2 h ASP 436 Ca -0.48 -0.02 0.07 0.00 0.02 0.00 0.00 57.03 56.62 1rr2 h ASP 436 Cb 1.20 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.63 1rr2 h ASP 436 CO 0.64 0.26 0.30 -0.33 -1.72 0.00 0.00 179.24 178.38 1rr2 h GLU 437 N 0.27 0.52 -0.41 3.56 3.07 -1.98 0.26 114.58 119.88 1rr2 h GLU 437 Ca 0.07 -0.03 -0.15 0.00 -0.50 0.00 0.00 59.36 58.74 1rr2 h GLU 437 Cb 0.13 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 1rr2 h GLU 437 CO -0.00 0.35 -0.35 -0.44 -1.40 0.00 0.00 179.01 177.17 1rr2 h ASP 438 N 0.54 1.01 -0.86 1.42 5.19 -1.66 -1.10 116.42 120.97 1rr2 h ASP 438 Ca 0.30 -0.45 0.01 0.00 -0.62 0.00 0.00 57.03 56.26 1rr2 h ASP 438 Cb 0.27 -0.28 -0.04 0.00 0.18 0.00 0.00 39.33 39.46 1rr2 h ASP 438 CO -0.23 1.25 0.56 0.58 -3.12 0.00 0.00 179.24 178.27 1rr2 h VAL 439 N 0.79 1.23 -0.71 -1.35 2.07 -0.63 -0.78 116.25 116.85 1rr2 h VAL 439 Ca 0.07 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1rr2 h VAL 439 Cb 0.94 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1rr2 h VAL 439 CO 0.09 0.22 0.37 -0.07 0.02 0.00 0.00 177.57 178.20 1rr2 h LEU 440 N 1.17 0.91 -1.27 2.57 3.38 -0.22 0.65 115.31 122.49 1rr2 h LEU 440 Ca 0.31 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1rr2 h LEU 440 Cb -0.11 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.37 1rr2 h LEU 440 CO -0.07 0.77 0.49 0.74 0.09 0.00 0.00 178.44 180.47 1rr2 h THR 441 N 0.99 1.19 -0.25 0.22 2.02 -0.12 0.12 112.91 117.07 1rr2 h THR 441 Ca 0.25 -0.34 -0.16 0.00 0.77 0.00 0.00 66.41 66.92 1rr2 h THR 441 Cb 0.08 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 1rr2 h THR 441 CO -0.04 0.18 -0.47 0.22 0.37 0.00 0.00 175.52 175.79 1rr2 h TYR 442 N 1.00 0.96 -0.47 3.16 3.20 -0.37 -0.38 116.97 124.08 1rr2 h TYR 442 Ca 0.27 -0.34 -0.10 0.00 3.14 0.00 0.00 58.73 61.70 1rr2 h TYR 442 Cb -0.11 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 37.96 1rr2 h TYR 442 CO -0.00 1.14 -0.10 0.00 -1.64 0.00 0.00 178.16 177.56 1rr2 h ALA 443 N 0.65 0.94 0.20 1.82 0.00 -0.16 -1.79 119.26 120.91 1rr2 h ALA 443 Ca 0.01 -0.32 -0.31 0.00 0.00 0.00 0.00 54.91 54.29 1rr2 h ALA 443 Cb 1.08 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.71 1rr2 h ALA 443 CO 0.11 0.62 -1.38 -0.07 0.00 0.00 0.00 179.25 178.52 1rr2 h LEU 444 N 0.77 0.65 -6.17 0.00 3.38 -0.80 -3.41 115.31 109.73 1rr2 h LEU 444 Ca 0.13 -0.70 -0.58 0.00 0.09 0.00 0.00 57.88 56.82 1rr2 h LEU 444 Cb 0.60 -0.21 -0.39 0.00 0.09 0.00 0.00 40.66 40.75 1rr2 h LEU 444 CO 0.04 1.55 -0.99 0.49 0.09 0.00 0.00 178.44 179.62 1rr2 n PHE 445 N -3.63 0.14 -0.33 1.13 3.01 -0.15 -4.12 117.46 113.51 1rr2 n PHE 445 Ca -0.13 -3.60 0.12 0.00 1.01 0.00 0.00 57.45 54.84 1rr2 n PHE 445 Cb 1.07 -0.23 0.32 0.00 -0.01 0.00 0.00 39.48 40.63 1rr2 n PHE 445 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1rr2 h PRO 446 N 4.51 0.77 0.00 -1.08 0.11 -1.52 0.36 132.00 135.14 1rr2 h PRO 446 Ca 0.14 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 1rr2 h PRO 446 Cb 0.86 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.79 1rr2 h PRO 446 CO 0.49 0.51 -0.16 1.96 -0.21 0.00 0.00 178.00 180.59 1rr2 h GLN 447 N 0.79 0.00 0.00 1.05 1.08 -1.94 -3.35 115.11 112.74 1rr2 h GLN 447 Ca 0.52 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 57.35 1rr2 h GLN 447 Cb 0.77 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.13 1rr2 h GLN 447 CO -0.30 0.06 -2.40 0.28 -0.95 0.00 0.00 178.83 175.53 1rr2 n VAL 448 N -3.08 1.41 -0.32 -0.54 0.31 -0.87 -4.53 118.33 110.71 1rr2 n VAL 448 Ca 0.03 -0.63 0.09 0.00 -0.01 0.00 0.00 64.34 63.83 1rr2 n VAL 448 Cb 0.56 -1.14 0.20 0.00 -0.91 0.00 0.00 33.84 32.56 1rr2 n VAL 448 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rr2 h ALA 449 N 0.27 0.89 0.06 3.52 0.00 -1.08 -1.05 119.26 121.87 1rr2 h ALA 449 Ca -0.55 0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1rr2 h ALA 449 Cb 1.96 0.60 -0.05 0.00 0.00 0.00 0.00 17.79 20.31 1rr2 h ALA 449 CO -0.05 -0.47 -0.33 -1.35 0.00 0.00 0.00 179.25 177.04 1rr2 h PRO 450 N 0.03 -0.50 -0.64 0.00 0.11 -1.80 0.13 132.00 129.34 1rr2 h PRO 450 Ca 0.51 0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.62 1rr2 h PRO 450 Cb 0.93 0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 1rr2 h PRO 450 CO -0.89 -0.33 0.26 0.28 -0.21 0.00 0.00 178.00 177.11 1rr2 h VAL 451 N -0.51 1.23 -0.43 3.15 2.07 -1.57 -2.74 116.25 117.45 1rr2 h VAL 451 Ca 0.05 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 1rr2 h VAL 451 Cb 0.57 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1rr2 h VAL 451 CO -0.23 0.29 0.08 0.15 0.02 0.00 0.00 177.57 177.87 1rr2 h PHE 452 N 0.89 0.74 -0.58 1.57 3.57 -0.99 -2.70 116.94 119.45 1rr2 h PHE 452 Ca 0.21 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1rr2 h PHE 452 Cb 0.20 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 1rr2 h PHE 452 CO 0.01 0.71 0.34 0.74 -2.23 0.00 0.00 178.31 177.88 1rr2 h PHE 453 N 0.56 0.75 -0.01 0.41 0.05 -0.56 0.91 116.94 119.05 1rr2 h PHE 453 Ca 0.13 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.92 1rr2 h PHE 453 Cb 0.36 -0.25 0.00 0.00 2.00 0.00 0.00 35.95 38.06 1rr2 h PHE 453 CO 0.02 0.51 -0.15 -0.85 -0.18 0.00 0.00 178.31 177.67 1rr2 n GLU 454 N -4.41 1.18 -0.00 1.51 0.28 -1.05 -3.99 120.64 114.16 1rr2 n GLU 454 Ca 0.05 -0.69 0.03 0.00 -0.16 0.00 0.00 57.16 56.40 1rr2 n GLU 454 Cb 0.08 -1.49 -0.04 0.00 1.43 0.00 0.00 31.44 31.42 1rr2 n GLU 454 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1rr2 n HIS 455 N -0.31 0.00 -0.35 -1.84 8.25 -0.89 -4.68 115.22 115.40 1rr2 n HIS 455 Ca 0.15 0.00 0.26 0.00 -0.26 0.00 0.00 57.72 57.87 1rr2 n HIS 455 Cb 0.35 -0.10 0.53 0.00 1.12 0.00 0.00 29.99 31.90 1rr2 n HIS 455 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1rr2 h ARG 456 N 0.00 0.32 0.00 -0.41 2.43 -0.97 0.11 114.38 115.86 1rr2 h ARG 456 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1rr2 h ARG 456 Cb 0.23 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1rr2 h ARG 456 CO 0.00 0.21 0.03 0.00 -1.51 0.00 0.00 179.97 178.70 1rr2 h ALA 457 N 1.63 1.02 0.00 2.80 0.00 -1.83 -0.41 119.26 122.48 1rr2 h ALA 457 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.57 1rr2 h ALA 457 Cb 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1rr2 h ALA 457 CO -0.35 -0.02 0.00 0.93 0.00 0.00 0.00 179.25 179.81 1rr2 h GLU 458 N 0.00 0.00 0.00 0.00 5.08 -1.13 -3.49 114.58 115.04 1rr2 h GLU 458 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1rr2 h GLU 458 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1rr2 h GLU 458 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1rr2 n GLY 459 N 0.33 0.57 3.76 -3.84 0.00 -0.16 -4.97 105.19 100.88 1rr2 n GLY 459 Ca 0.02 -1.71 -0.36 0.00 0.00 0.00 0.00 46.02 43.96 1rr2 n GLY 459 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rr2 s PRO 460 N -3.23 3.20 0.25 1.61 0.04 -1.23 -4.83 135.00 130.81 1rr2 s PRO 460 Ca 0.00 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1rr2 s PRO 460 Cb 0.00 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1rr2 s PRO 460 CO 0.00 -1.03 0.01 0.72 0.04 0.00 0.00 177.00 176.74 1rr2 n HIS 461 N -1.24 0.47 -4.26 0.56 8.25 0.04 -5.01 115.22 114.03 1rr2 n HIS 461 Ca 0.12 -1.22 -0.17 0.00 -0.26 0.00 0.00 57.72 56.18 1rr2 n HIS 461 Cb 0.49 -0.17 -0.15 0.00 1.12 0.00 0.00 29.99 31.28 1rr2 n HIS 461 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1rr2 s SER 462 N -2.38 0.83 -0.06 0.41 0.15 -1.26 -4.77 113.70 106.62 1rr2 s SER 462 Ca 0.01 -0.13 0.15 0.00 0.70 0.00 0.00 55.95 56.68 1rr2 s SER 462 Cb -0.00 -0.11 0.49 0.00 -1.71 0.00 0.00 66.02 64.69 1rr2 s SER 462 CO 0.01 0.08 1.41 1.33 1.20 0.00 0.00 173.24 177.27 1rr2 n VAL 463 N 2.96 1.46 -2.50 4.45 0.24 -1.26 -4.98 118.33 118.70 1rr2 n VAL 463 Ca -0.14 -1.22 -0.27 0.00 -2.04 0.00 0.00 64.34 60.67 1rr2 n VAL 463 Cb 0.57 0.26 0.01 0.00 -1.47 0.00 0.00 33.84 33.21 1rr2 n VAL 463 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rr2 s ALA 464 N -1.56 3.35 0.52 2.33 0.00 -1.26 -5.05 121.76 120.09 1rr2 s ALA 464 Ca 0.37 -0.53 -0.21 0.00 0.00 0.00 0.00 51.96 51.59 1rr2 s ALA 464 Cb 0.23 -2.63 -0.06 0.00 0.00 0.00 0.00 23.12 20.66 1rr2 s ALA 464 CO 0.19 -0.52 1.17 -0.51 0.00 0.00 0.00 175.76 176.08 1rr2 s LEU 465 N -4.85 3.84 0.58 0.00 1.43 0.18 -5.02 118.68 114.83 1rr2 s LEU 465 Ca 0.50 2.29 -0.05 0.00 -1.03 0.00 0.00 54.13 55.83 1rr2 s LEU 465 Cb -0.10 -4.44 0.01 0.00 0.03 0.00 0.00 46.19 41.68 1rr2 s LEU 465 CO 0.46 -1.18 0.88 0.42 0.23 0.00 0.00 176.35 177.15 1rr2 s THR 466 N -1.64 3.71 0.34 5.49 -4.23 -1.26 -4.76 115.64 113.30 1rr2 s THR 466 Ca 0.70 -0.04 0.05 0.00 -1.18 0.00 0.00 61.69 61.23 1rr2 s THR 466 Cb -0.27 -3.46 0.30 0.00 1.34 0.00 0.00 72.50 70.40 1rr2 s THR 466 CO 0.32 -0.46 1.91 0.44 -0.54 0.00 0.00 174.62 176.29 1rr2 h ASP 467 N -0.11 0.73 -0.24 3.99 3.32 -1.99 0.36 116.42 122.47 1rr2 h ASP 467 Ca -0.45 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 1rr2 h ASP 467 Cb 1.25 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1rr2 h ASP 467 CO 0.60 0.44 0.13 0.00 -1.72 0.00 0.00 179.24 178.69 1rr2 h ALA 468 N 1.58 0.31 0.00 3.45 0.00 -1.99 -1.25 119.26 121.35 1rr2 h ALA 468 Ca 0.38 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 1rr2 h ALA 468 Cb 0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1rr2 h ALA 468 CO -0.15 -0.15 -0.27 1.96 0.00 0.00 0.00 179.25 180.63 1rr2 h GLN 469 N 0.27 0.00 -0.12 0.00 4.20 -1.58 -1.84 115.11 116.03 1rr2 h GLN 469 Ca 0.08 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1rr2 h GLN 469 Cb 0.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1rr2 h GLN 469 CO -0.01 0.27 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.29 1rr2 h LEU 470 N 0.00 0.27 -2.18 1.46 3.38 -0.30 -2.59 115.31 115.36 1rr2 h LEU 470 Ca -0.00 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1rr2 h LEU 470 Cb 0.52 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1rr2 h LEU 470 CO 0.04 0.62 -0.03 0.11 0.09 0.00 0.00 178.44 179.27 1rr2 h LYS 471 N -0.08 0.00 -0.20 1.13 1.57 -0.94 -2.15 116.57 115.89 1rr2 h LYS 471 Ca 0.03 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 1rr2 h LYS 471 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1rr2 h LYS 471 CO 0.02 0.03 -0.41 0.00 -0.57 0.00 0.00 179.45 178.51 1rr2 h ALA 472 N 1.97 0.32 -0.11 3.86 0.00 -0.97 -2.98 119.26 121.35 1rr2 h ALA 472 Ca -0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1rr2 h ALA 472 Cb 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1rr2 h ALA 472 CO 0.00 0.43 -0.19 0.93 0.00 0.00 0.00 179.25 180.43 1rr2 h GLU 473 N 0.32 0.18 -0.01 0.00 4.39 -1.04 -3.51 114.58 114.91 1rr2 h GLU 473 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1rr2 h GLU 473 Cb 1.02 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1rr2 h GLU 473 CO 0.09 0.37 0.00 0.00 -1.16 0.00 0.00 179.01 178.31