#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wet s ILE 2 N 0.00 4.95 -0.08 2.02 -4.36 -1.26 -4.34 121.20 118.13 2wet s ILE 2 Ca 0.00 0.08 0.00 0.00 -0.26 0.00 0.00 60.65 60.48 2wet s ILE 2 Cb 0.00 -3.84 -0.05 0.00 1.25 0.00 0.00 42.46 39.82 2wet s ILE 2 CO 0.00 -0.69 -0.07 -1.14 0.24 0.00 0.00 174.94 173.28 2wet n ARG 3 N -1.91 0.20 -4.29 0.37 0.63 -1.26 -4.96 116.66 105.44 2wet n ARG 3 Ca -0.01 0.05 -0.18 0.00 -0.92 0.00 0.00 57.85 56.79 2wet n ARG 3 Cb 0.55 -1.15 -0.14 0.00 0.45 0.00 0.00 32.46 32.17 2wet n ARG 3 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2wet s SER 4 N -4.78 1.00 -0.10 6.15 1.04 -1.26 -0.79 113.70 114.96 2wet s SER 4 Ca -0.11 -0.22 0.03 0.00 0.48 0.00 0.00 55.95 56.13 2wet s SER 4 Cb 0.03 -0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.05 2wet s SER 4 CO 0.18 0.06 -0.20 -0.69 0.98 0.00 0.00 173.24 173.57 2wet s VAL 5 N -0.38 2.41 -0.21 5.02 1.01 0.85 -1.62 120.40 127.48 2wet s VAL 5 Ca 0.02 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 2wet s VAL 5 Cb -0.04 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 2wet s VAL 5 CO -0.00 0.55 -0.07 -0.69 0.00 0.00 0.00 175.10 174.89 2wet s VAL 6 N 0.22 3.20 -0.18 2.92 1.01 0.68 -1.72 120.40 126.53 2wet s VAL 6 Ca -0.13 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 2wet s VAL 6 Cb -0.16 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 2wet s VAL 6 CO 0.07 0.45 0.11 -0.63 0.00 0.00 0.00 175.10 175.10 2wet s ILE 7 N 1.35 5.25 -0.26 2.22 1.01 0.41 -0.33 121.20 130.84 2wet s ILE 7 Ca 0.04 0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.78 2wet s ILE 7 Cb -0.14 -3.37 0.01 0.00 0.01 0.00 0.00 42.46 38.97 2wet s ILE 7 CO -0.04 0.48 -0.00 -0.69 0.00 0.00 0.00 174.94 174.69 2wet s VAL 8 N 0.11 3.44 0.00 2.92 1.01 -0.41 -0.94 120.40 126.54 2wet s VAL 8 Ca 0.08 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2wet s VAL 8 Cb -0.11 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.56 2wet s VAL 8 CO -0.00 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.93 2wet n GLY 9 N 4.78 3.34 1.56 4.51 0.00 0.95 -0.43 105.19 119.91 2wet n GLY 9 Ca -0.16 -1.44 -0.07 0.00 0.00 0.00 0.00 46.02 44.34 2wet n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wet n GLY 10 N 0.54 4.81 0.00 -0.02 0.00 -1.26 -4.05 105.19 105.20 2wet n GLY 10 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 2wet n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wet n GLY 11 N -0.71 -0.22 0.37 -0.02 0.00 -1.26 -4.78 105.19 98.56 2wet n GLY 11 Ca 0.26 -1.76 0.15 0.00 0.00 0.00 0.00 46.02 44.68 2wet n GLY 11 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2wet h THR 12 N -0.38 0.83 0.03 2.61 2.02 -1.96 -2.68 112.91 113.39 2wet h THR 12 Ca 0.00 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 2wet h THR 12 Cb 0.00 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 2wet h THR 12 CO 0.00 0.05 -0.02 0.00 0.37 0.00 0.00 175.52 175.93 2wet h ALA 13 N 1.70 -0.05 -0.32 6.16 0.00 -1.91 -1.80 119.26 123.04 2wet h ALA 13 Ca 0.29 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2wet h ALA 13 Cb 0.74 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2wet h ALA 13 CO -0.07 -0.32 0.17 0.78 0.00 0.00 0.00 179.25 179.81 2wet h GLY 14 N -0.45 0.43 1.91 0.00 0.00 -1.64 -1.60 103.07 101.73 2wet h GLY 14 Ca -0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 47.33 47.00 2wet h GLY 14 CO 0.01 0.10 -0.94 1.49 0.00 0.00 0.00 176.54 177.19 2wet h TRP 15 N 0.35 0.12 -0.64 5.60 4.06 -1.53 -0.88 115.95 123.04 2wet h TRP 15 Ca 0.13 -0.08 -0.02 0.00 2.06 0.00 0.00 58.89 60.99 2wet h TRP 15 Cb 0.03 -0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 28.15 2wet h TRP 15 CO -0.09 0.97 0.33 0.52 -3.56 0.00 0.00 178.44 176.61 2wet h MET 16 N 0.03 0.90 -0.11 0.49 2.86 -1.22 -1.22 114.93 116.66 2wet h MET 16 Ca -0.03 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 2wet h MET 16 Cb 1.63 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 33.12 2wet h MET 16 CO 0.13 0.69 -0.00 1.15 1.06 0.00 0.00 176.91 179.94 2wet h THR 17 N 0.87 1.26 -0.64 2.22 2.02 -1.10 -1.23 112.91 116.30 2wet h THR 17 Ca 0.22 -0.82 0.01 0.00 0.77 0.00 0.00 66.41 66.59 2wet h THR 17 Cb 0.07 1.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 2wet h THR 17 CO -0.03 0.24 0.43 0.00 0.37 0.00 0.00 175.52 176.52 2wet h ALA 18 N 0.74 0.82 0.29 6.16 0.00 -1.13 -1.32 119.26 124.82 2wet h ALA 18 Ca 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2wet h ALA 18 Cb 0.36 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2wet h ALA 18 CO 0.01 0.24 -0.15 0.77 0.00 0.00 0.00 179.25 180.12 2wet h SER 19 N 0.87 -0.36 -0.71 0.00 0.02 -1.15 -2.80 113.55 109.43 2wet h SER 19 Ca 0.24 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.14 2wet h SER 19 Cb -0.10 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2wet h SER 19 CO -0.05 -0.25 0.19 0.22 -1.14 0.00 0.00 176.83 175.80 2wet h TYR 20 N -0.40 1.17 -0.55 3.45 3.20 -1.03 -0.41 116.97 122.40 2wet h TYR 20 Ca -0.04 -0.13 -0.06 0.00 3.14 0.00 0.00 58.73 61.64 2wet h TYR 20 Cb 0.32 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 2wet h TYR 20 CO -0.07 0.95 0.11 -0.07 -1.64 0.00 0.00 178.16 177.44 2wet h LEU 21 N 1.06 0.81 -0.28 2.82 3.38 -1.24 0.20 115.31 122.06 2wet h LEU 21 Ca 0.22 -0.16 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 2wet h LEU 21 Cb 0.35 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2wet h LEU 21 CO -0.00 0.81 -0.62 0.11 0.09 0.00 0.00 178.44 178.83 2wet h LYS 22 N 0.83 0.81 -0.72 1.13 1.79 -1.20 -0.54 116.57 118.67 2wet h LYS 22 Ca 0.18 -0.56 0.01 0.00 -2.18 0.00 0.00 60.65 58.10 2wet h LYS 22 Cb 0.34 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.03 2wet h LYS 22 CO 0.00 1.18 0.47 0.00 -1.08 0.00 0.00 179.45 180.03 2wet h ALA 23 N 0.69 0.93 -0.08 3.86 0.00 -0.60 0.11 119.26 124.17 2wet h ALA 23 Ca -0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2wet h ALA 23 Cb 1.23 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2wet h ALA 23 CO 0.13 0.31 -0.19 0.00 0.00 0.00 0.00 179.25 179.50 2wet h ALA 24 N 1.28 0.13 -0.00 0.00 0.00 -0.51 -3.38 119.26 116.77 2wet h ALA 24 Ca 0.27 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2wet h ALA 24 Cb -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2wet h ALA 24 CO -0.07 0.07 -0.11 1.19 0.00 0.00 0.00 179.25 180.33 2wet n PHE 25 N -4.55 0.00 0.00 0.00 3.72 -0.22 -5.06 117.46 111.35 2wet n PHE 25 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2wet n PHE 25 Cb 0.41 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 2wet n PHE 25 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2wet n ASP 26 N -0.51 0.00 -0.16 4.37 2.03 0.37 -0.20 116.55 122.47 2wet n ASP 26 Ca 0.02 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.42 2wet n ASP 26 Cb 0.09 0.00 0.49 0.00 -0.72 0.00 0.00 41.12 40.98 2wet n ASP 26 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2wet n ASP 27 N 4.06 0.47 -1.60 1.67 5.75 -1.26 -3.55 116.55 122.09 2wet n ASP 27 Ca 0.00 -1.51 0.06 0.00 -0.01 0.00 0.00 54.79 53.32 2wet n ASP 27 Cb 0.00 -0.03 0.32 0.00 -1.03 0.00 0.00 41.12 40.38 2wet n ASP 27 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2wet n ARG 28 N -0.47 4.07 -3.68 0.11 5.12 0.73 -4.82 116.66 117.72 2wet n ARG 28 Ca 0.14 -2.50 -0.11 0.00 -1.93 0.00 0.00 57.85 53.46 2wet n ARG 28 Cb 0.14 -2.10 -0.09 0.00 -1.16 0.00 0.00 32.46 29.25 2wet n ARG 28 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 2wet s ILE 29 N -2.38 -0.01 -0.21 0.55 1.10 -1.23 -4.95 121.20 114.07 2wet s ILE 29 Ca 0.43 0.03 -0.10 0.00 -0.51 0.00 0.00 60.65 60.51 2wet s ILE 29 Cb 0.33 -0.77 -0.05 0.00 0.15 0.00 0.00 42.46 42.12 2wet s ILE 29 CO 0.13 0.01 0.13 -1.81 -2.11 0.00 0.00 174.94 171.30 2wet s ASP 30 N 1.08 6.12 -0.05 4.50 1.01 0.03 -4.90 116.67 124.47 2wet s ASP 30 Ca -0.06 0.17 0.02 0.00 0.71 0.00 0.00 52.55 53.39 2wet s ASP 30 Cb -0.06 -2.08 0.01 0.00 1.01 0.00 0.00 42.92 41.80 2wet s ASP 30 CO -0.10 0.14 -0.10 -0.69 0.21 0.00 0.00 175.17 174.62 2wet s VAL 31 N 0.63 0.94 -0.04 -1.27 1.01 -1.26 -0.11 120.40 120.29 2wet s VAL 31 Ca 0.07 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.69 2wet s VAL 31 Cb -0.12 -0.86 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 2wet s VAL 31 CO 0.01 0.30 -0.17 -0.89 0.00 0.00 0.00 175.10 174.35 2wet s THR 32 N 0.47 1.40 -0.13 3.92 2.01 -0.70 -0.97 115.64 121.65 2wet s THR 32 Ca -0.09 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.24 2wet s THR 32 Cb -0.13 -1.21 0.01 0.00 0.01 0.00 0.00 72.50 71.18 2wet s THR 32 CO 0.02 0.41 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.92 2wet s LEU 33 N 0.08 2.07 -0.14 4.42 0.20 0.97 -0.45 118.68 125.84 2wet s LEU 33 Ca -0.05 -0.58 -0.00 0.00 0.69 0.00 0.00 54.13 54.20 2wet s LEU 33 Cb -0.12 -1.40 -0.01 0.00 -0.43 0.00 0.00 46.19 44.23 2wet s LEU 33 CO 0.02 0.10 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.36 2wet s VAL 34 N 0.70 3.00 -0.03 1.68 1.01 -0.11 -0.51 120.40 126.14 2wet s VAL 34 Ca -0.10 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 2wet s VAL 34 Cb -0.16 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 33.97 2wet s VAL 34 CO 0.01 0.52 0.15 -1.83 0.00 0.00 0.00 175.10 173.95 2wet s GLU 35 N 0.44 0.31 0.33 2.72 -1.05 -0.51 -0.03 118.70 120.90 2wet s GLU 35 Ca -0.10 -0.05 -0.29 0.00 -0.15 0.00 0.00 54.97 54.38 2wet s GLU 35 Cb -0.16 0.14 -0.10 0.00 -0.44 0.00 0.00 34.13 33.57 2wet s GLU 35 CO 0.05 -0.06 1.33 0.45 0.95 0.00 0.00 175.26 177.98 2wet s SER 36 N -0.56 6.74 0.00 0.83 0.15 -1.09 -0.92 113.70 118.85 2wet s SER 36 Ca -0.06 2.71 0.27 0.00 0.70 0.00 0.00 55.95 59.56 2wet s SER 36 Cb -0.04 -2.65 0.88 0.00 -1.71 0.00 0.00 66.02 62.50 2wet s SER 36 CO 0.01 -0.57 1.66 0.61 1.20 0.00 0.00 173.24 176.15 2wet n GLY 37 N 0.91 -1.10 0.00 9.45 0.00 -1.26 -4.41 105.19 108.77 2wet n GLY 37 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2wet n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wet n ASN 38 N -1.20 2.44 -4.59 1.61 0.23 -1.26 -4.97 115.26 107.52 2wet n ASN 38 Ca 0.09 -0.19 -0.41 0.00 -0.53 0.00 0.00 54.58 53.54 2wet n ASN 38 Cb 0.32 0.88 -0.08 0.00 -2.08 0.00 0.00 39.78 38.82 2wet n ASN 38 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2wet s VAL 39 N -1.36 5.05 0.50 3.53 1.01 -1.26 -5.05 120.40 122.81 2wet s VAL 39 Ca 0.00 0.60 -0.21 0.00 0.00 0.00 0.00 61.98 62.37 2wet s VAL 39 Cb 0.00 -3.89 -0.07 0.00 0.00 0.00 0.00 36.38 32.43 2wet s VAL 39 CO 0.00 -0.06 1.15 -0.13 0.00 0.00 0.00 175.10 176.06 2wet s ARG 40 N 2.34 3.55 0.82 2.72 0.52 -1.26 -4.76 118.95 122.89 2wet s ARG 40 Ca 0.20 1.70 -0.13 0.00 -0.52 0.00 0.00 55.73 56.98 2wet s ARG 40 Cb -0.15 -2.21 0.09 0.00 0.52 0.00 0.00 34.95 33.20 2wet s ARG 40 CO 0.11 -0.71 1.19 1.03 0.02 0.00 0.00 175.30 176.95 2wet s ARG 41 N -2.98 1.54 0.33 3.54 0.52 -1.26 -4.90 118.95 115.74 2wet s ARG 41 Ca 0.68 1.71 0.12 0.00 -0.52 0.00 0.00 55.73 57.72 2wet s ARG 41 Cb -0.26 -1.77 0.97 0.00 0.52 0.00 0.00 34.95 34.41 2wet s ARG 41 CO 0.31 -2.28 1.71 0.97 0.02 0.00 0.00 175.30 176.03 2wet h ILE 42 N -1.07 0.46 0.00 1.52 6.09 -2.00 -3.45 117.51 119.05 2wet h ILE 42 Ca -0.46 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 62.87 2wet h ILE 42 Cb 1.29 -0.07 0.00 0.00 0.47 0.00 0.00 36.82 38.51 2wet h ILE 42 CO 0.45 0.09 0.00 0.61 -3.07 0.00 0.00 178.15 176.23 2wet n GLY 43 N -1.32 0.94 2.82 8.18 0.00 -1.26 -5.04 105.19 109.51 2wet n GLY 43 Ca 0.28 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.08 2wet n GLY 43 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wet n VAL 44 N -2.00 0.00 0.00 1.61 0.24 -1.26 -4.84 118.33 112.08 2wet n VAL 44 Ca 0.00 -1.95 0.00 0.00 -2.04 0.00 0.00 64.34 60.35 2wet n VAL 44 Cb 0.00 0.60 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 2wet n VAL 44 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wet n GLY 45 N -0.14 0.78 0.00 7.63 0.00 -1.26 -4.91 105.19 107.29 2wet n GLY 45 Ca -0.09 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.22 2wet n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wet n GLU 46 N 0.00 -0.33 -4.33 1.61 1.02 -1.26 -4.56 120.64 112.79 2wet n GLU 46 Ca 0.00 -0.45 -0.24 0.00 -0.02 0.00 0.00 57.16 56.45 2wet n GLU 46 Cb 0.00 -0.95 -0.12 0.00 -0.02 0.00 0.00 31.44 30.35 2wet n GLU 46 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wet s ALA 47 N -0.08 2.03 0.31 0.62 0.00 -1.26 -0.69 121.76 122.69 2wet s ALA 47 Ca 0.00 -1.41 0.03 0.00 0.00 0.00 0.00 51.96 50.59 2wet s ALA 47 Cb 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 23.12 22.81 2wet s ALA 47 CO 0.00 0.34 0.07 0.95 0.00 0.00 0.00 175.76 177.12 2wet s THR 48 N -1.53 1.04 0.35 0.00 -4.23 -0.32 -4.80 115.64 106.15 2wet s THR 48 Ca 0.12 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.70 2wet s THR 48 Cb -0.08 -2.75 -0.01 0.00 1.34 0.00 0.00 72.50 71.00 2wet s THR 48 CO 0.06 0.00 0.46 0.12 -0.54 0.00 0.00 174.62 174.72 2wet s PHE 49 N -3.39 3.01 0.50 3.99 5.36 -1.25 -4.46 117.98 121.74 2wet s PHE 49 Ca 0.36 -0.28 0.42 0.00 -0.96 0.00 0.00 56.93 56.47 2wet s PHE 49 Cb 0.08 -2.05 2.13 0.00 -0.34 0.00 0.00 43.02 42.85 2wet s PHE 49 CO 0.15 -0.06 2.26 0.66 -1.46 0.00 0.00 175.22 176.77 2wet h SER 50 N 0.91 0.00 1.10 6.13 4.64 -1.89 -2.51 113.55 121.93 2wet h SER 50 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2wet h SER 50 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2wet h SER 50 CO 0.52 0.00 0.00 0.71 -0.87 0.00 0.00 176.83 177.19 2wet h THR 51 N 0.00 0.00 -0.11 2.95 1.35 -1.93 -3.36 112.91 111.81 2wet h THR 51 Ca -0.00 -0.53 -0.01 0.00 -0.55 0.00 0.00 66.41 65.32 2wet h THR 51 Cb 0.15 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 68.06 2wet h THR 51 CO 0.00 0.00 0.04 1.62 -0.25 0.00 0.00 175.52 176.93 2wet h VAL 52 N 0.00 1.05 -0.99 6.82 3.04 -1.83 -1.20 116.25 123.14 2wet h VAL 52 Ca 0.00 -0.16 0.23 0.00 -1.01 0.00 0.00 66.70 65.77 2wet h VAL 52 Cb 0.55 0.93 -0.09 0.00 -2.01 0.00 0.00 31.29 30.67 2wet h VAL 52 CO 0.00 0.06 0.64 0.08 -1.01 0.00 0.00 177.57 177.34 2wet h ARG 53 N 0.15 0.45 -0.05 4.17 0.11 -1.84 -0.65 114.38 116.72 2wet h ARG 53 Ca 0.04 -0.03 -0.10 0.00 0.10 0.00 0.00 59.98 59.99 2wet h ARG 53 Cb 0.04 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.01 2wet h ARG 53 CO -0.00 0.30 -0.43 0.45 0.10 0.00 0.00 179.97 180.38 2wet h HIS 54 N 0.46 0.14 -0.06 4.08 3.86 -1.52 0.53 115.15 122.65 2wet h HIS 54 Ca 0.55 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.72 2wet h HIS 54 Cb 1.30 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.74 2wet h HIS 54 CO -0.00 0.53 0.01 0.35 0.86 0.00 0.00 177.93 179.68 2wet h PHE 55 N 0.10 0.09 -0.27 2.45 3.57 -1.23 -1.49 116.94 120.16 2wet h PHE 55 Ca 0.01 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.35 2wet h PHE 55 Cb 0.81 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 2wet h PHE 55 CO 0.01 0.29 -0.42 0.74 -2.23 0.00 0.00 178.31 176.70 2wet h PHE 56 N -0.13 0.79 -0.98 0.41 0.04 -1.22 -2.20 116.94 113.66 2wet h PHE 56 Ca 0.02 -0.24 0.02 0.00 2.80 0.00 0.00 57.97 60.57 2wet h PHE 56 Cb 0.24 -0.17 -0.05 0.00 2.20 0.00 0.00 35.95 38.17 2wet h PHE 56 CO 0.00 0.97 0.65 -0.44 -0.60 0.00 0.00 178.31 178.89 2wet h ASP 57 N 0.54 1.10 -0.40 2.17 3.32 -0.89 0.37 116.42 122.63 2wet h ASP 57 Ca 0.04 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 2wet h ASP 57 Cb 0.95 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 2wet h ASP 57 CO 0.09 0.78 -0.12 0.22 -1.72 0.00 0.00 179.24 178.48 2wet h TYR 58 N 1.29 0.95 0.00 4.55 3.20 -0.77 -1.65 116.97 124.54 2wet h TYR 58 Ca 0.37 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2wet h TYR 58 Cb -0.08 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 37.95 2wet h TYR 58 CO -0.00 0.92 0.00 1.28 -1.64 0.00 0.00 178.16 178.72 2wet n LEU 59 N -4.15 0.54 0.00 2.82 4.32 -0.87 -4.89 117.00 114.77 2wet n LEU 59 Ca 0.01 0.63 0.00 0.00 -0.02 0.00 0.00 56.01 56.63 2wet n LEU 59 Cb 0.39 -0.55 0.00 0.00 -1.62 0.00 0.00 43.42 41.64 2wet n LEU 59 CO 0.44 -0.48 0.00 0.61 -1.22 0.00 0.00 177.39 176.74 2wet n GLY 60 N 0.08 0.73 3.29 -0.72 0.00 -0.62 -5.03 105.19 102.93 2wet n GLY 60 Ca 0.03 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 2wet n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wet s LEU 61 N 0.00 3.33 0.38 0.99 1.43 0.07 -5.01 118.68 119.87 2wet s LEU 61 Ca 0.00 -0.63 -0.25 0.00 -1.03 0.00 0.00 54.13 52.21 2wet s LEU 61 Cb 0.00 -1.77 -0.09 0.00 0.03 0.00 0.00 46.19 44.36 2wet s LEU 61 CO 0.00 -0.11 1.06 -0.62 0.23 0.00 0.00 176.35 176.91 2wet s ASP 62 N 1.45 6.83 0.44 2.29 2.15 -1.26 -4.12 116.67 124.45 2wet s ASP 62 Ca 0.03 2.10 0.18 0.00 0.43 0.00 0.00 52.55 55.29 2wet s ASP 62 Cb -0.16 -2.59 1.10 0.00 -0.30 0.00 0.00 42.92 40.97 2wet s ASP 62 CO -0.01 -0.44 1.90 1.05 -0.17 0.00 0.00 175.17 177.50 2wet h GLU 63 N 2.75 0.36 0.00 4.34 4.11 -1.99 0.40 114.58 124.55 2wet h GLU 63 Ca -0.48 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 58.91 2wet h GLU 63 Cb 1.22 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 2wet h GLU 63 CO 0.63 0.24 -0.07 0.00 0.07 0.00 0.00 179.01 179.88 2wet h ARG 64 N 0.37 0.00 0.06 1.06 3.08 -1.96 -0.70 114.38 116.28 2wet h ARG 64 Ca 0.39 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 60.15 2wet h ARG 64 Cb 0.99 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.01 2wet h ARG 64 CO -0.12 0.07 -1.62 -1.91 -1.07 0.00 0.00 179.97 175.31 2wet n GLU 65 N -3.60 0.65 0.06 0.04 4.07 0.09 -4.62 120.64 117.34 2wet n GLU 65 Ca -0.02 0.43 -0.22 0.00 -0.06 0.00 0.00 57.16 57.29 2wet n GLU 65 Cb 0.18 -1.72 -0.15 0.00 -0.06 0.00 0.00 31.44 29.69 2wet n GLU 65 CO 0.00 0.00 0.00 0.11 -0.06 0.00 0.00 177.13 177.18 2wet h TRP 66 N -0.53 0.64 0.07 4.31 5.08 -1.32 -3.39 115.95 120.82 2wet h TRP 66 Ca -0.39 -0.47 -0.00 0.00 1.08 0.00 0.00 58.89 59.11 2wet h TRP 66 Cb 1.63 -0.03 -0.00 0.00 -3.00 0.00 0.00 29.16 27.76 2wet h TRP 66 CO 0.08 1.67 -0.05 1.25 -1.28 0.00 0.00 178.44 180.12 2wet h LEU 67 N 0.10 -0.13 -2.16 0.11 5.85 -1.39 -0.24 115.31 117.45 2wet h LEU 67 Ca -0.35 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 2wet h LEU 67 Cb 2.08 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 43.15 2wet h LEU 67 CO 0.16 -0.08 -0.07 -0.65 -0.34 0.00 0.00 178.44 177.46 2wet h PRO 68 N -0.12 0.00 0.00 5.25 0.11 -1.79 -0.74 132.00 134.70 2wet h PRO 68 Ca -0.00 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 2wet h PRO 68 Cb 0.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 2wet h PRO 68 CO -0.00 0.07 -0.87 -0.09 -0.21 0.00 0.00 178.00 176.89 2wet h ARG 69 N 0.00 0.00 -0.70 1.05 9.65 -1.61 -2.65 114.38 120.13 2wet h ARG 69 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2wet h ARG 69 Cb 0.23 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 2wet h ARG 69 CO 0.01 0.22 0.00 0.00 2.80 0.00 0.00 179.97 182.99 2wet n ALA 71 N 1.40 -0.92 -1.99 0.00 0.00 -0.53 -1.52 120.51 116.95 2wet n ALA 71 Ca 0.26 0.19 -0.25 0.00 0.00 0.00 0.00 53.44 53.63 2wet n ALA 71 Cb 0.77 -3.02 0.15 0.00 0.00 0.00 0.00 19.45 17.35 2wet n ALA 71 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wet s GLY 72 N -2.51 1.77 0.00 0.00 0.00 -0.40 -1.55 107.32 104.63 2wet s GLY 72 Ca 0.24 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 43.22 2wet s GLY 72 CO 0.30 -1.05 0.00 0.61 0.00 0.00 0.00 173.10 172.95 2wet n GLY 73 N -3.16 4.31 3.77 0.20 0.00 0.16 -3.93 105.19 106.54 2wet n GLY 73 Ca 0.17 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.35 2wet n GLY 73 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wet s TYR 74 N -2.03 3.28 -0.32 1.61 1.51 -1.26 -1.70 117.35 118.44 2wet s TYR 74 Ca 0.00 0.21 0.03 0.00 -1.01 0.00 0.00 57.07 56.29 2wet s TYR 74 Cb 0.00 -1.74 0.09 0.00 -0.11 0.00 0.00 41.96 40.20 2wet s TYR 74 CO 0.00 0.55 0.03 0.21 -1.11 0.00 0.00 175.55 175.23 2wet s LYS 75 N -1.67 1.42 0.00 -0.62 2.20 -0.55 -3.25 119.74 117.26 2wet s LYS 75 Ca 0.22 -1.58 0.28 0.00 -0.36 0.00 0.00 55.97 54.53 2wet s LYS 75 Cb -0.12 -2.88 1.04 0.00 -1.51 0.00 0.00 37.83 34.36 2wet s LYS 75 CO 0.13 -0.88 1.78 1.28 -0.36 0.00 0.00 175.35 177.31 2wet n LEU 76 N 4.43 0.17 0.00 5.43 4.77 0.11 -0.97 117.00 130.94 2wet n LEU 76 Ca -0.01 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2wet n LEU 76 Cb 0.42 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2wet n LEU 76 CO 0.19 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 2wet n GLY 77 N 1.48 -0.84 3.18 -0.72 0.00 -1.26 -1.28 105.19 105.75 2wet n GLY 77 Ca 0.07 -1.12 -0.28 0.00 0.00 0.00 0.00 46.02 44.69 2wet n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wet s ILE 78 N -3.00 1.64 -0.29 -0.61 1.01 0.49 -2.34 121.20 118.10 2wet s ILE 78 Ca 0.00 -0.84 -0.13 0.00 0.00 0.00 0.00 60.65 59.68 2wet s ILE 78 Cb 0.00 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 2wet s ILE 78 CO 0.00 0.47 0.29 -0.60 0.00 0.00 0.00 174.94 175.09 2wet s ARG 79 N -0.07 3.89 -0.37 2.79 3.52 0.15 0.39 118.95 129.24 2wet s ARG 79 Ca -0.03 -0.22 -0.16 0.00 -0.13 0.00 0.00 55.73 55.19 2wet s ARG 79 Cb -0.12 -3.69 0.00 0.00 -1.56 0.00 0.00 34.95 29.58 2wet s ARG 79 CO 0.02 -0.28 0.39 -0.06 -0.81 0.00 0.00 175.30 174.56 2wet s PHE 80 N 1.91 3.20 -0.10 5.12 0.08 -0.16 -0.23 117.98 127.80 2wet s PHE 80 Ca 0.11 -0.18 0.00 0.00 0.12 0.00 0.00 56.93 56.98 2wet s PHE 80 Cb -0.16 -2.75 -0.03 0.00 -0.57 0.00 0.00 43.02 39.51 2wet s PHE 80 CO 0.11 -0.54 -0.09 -1.21 -0.10 0.00 0.00 175.22 173.39 2wet s GLU 81 N 2.05 3.05 -1.07 0.44 2.02 -0.00 -2.40 118.70 122.78 2wet s GLU 81 Ca 0.12 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.51 2wet s GLU 81 Cb -0.17 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.43 2wet s GLU 81 CO 0.12 0.47 0.00 0.09 0.02 0.00 0.00 175.26 175.96 2wet n ASN 82 N 2.81 -4.28 0.09 -0.19 3.02 -0.11 -0.68 115.26 115.92 2wet n ASN 82 Ca -0.18 0.25 -0.03 0.00 -0.03 0.00 0.00 54.58 54.59 2wet n ASN 82 Cb 0.53 -2.67 -0.04 0.00 -0.61 0.00 0.00 39.78 36.98 2wet n ASN 82 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 2wet h TRP 83 N 0.00 0.00 0.00 3.10 4.06 -1.85 -3.42 115.95 117.84 2wet h TRP 83 Ca -0.21 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.74 2wet h TRP 83 Cb 0.68 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.84 2wet h TRP 83 CO 0.30 0.81 0.00 0.43 -3.56 0.00 0.00 178.44 176.42 2wet n SER 84 N -3.35 0.00 -4.74 -3.49 7.64 -1.26 -2.43 113.62 105.99 2wet n SER 84 Ca 0.01 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 2wet n SER 84 Cb 0.84 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.02 2wet n SER 84 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2wet s GLU 85 N 0.60 4.34 0.27 1.43 0.41 -1.26 -3.95 118.70 120.54 2wet s GLU 85 Ca 0.00 2.16 -0.29 0.00 -0.41 0.00 0.00 54.97 56.42 2wet s GLU 85 Cb 0.00 -3.16 -0.09 0.00 -1.78 0.00 0.00 34.13 29.10 2wet s GLU 85 CO 0.00 -0.31 1.20 -2.14 -0.49 0.00 0.00 175.26 173.52 2wet s PRO 86 N -0.29 4.50 0.00 0.39 0.02 -1.26 -2.40 135.00 135.96 2wet s PRO 86 Ca 0.57 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.57 2wet s PRO 86 Cb -0.39 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 30.97 2wet s PRO 86 CO 0.41 -0.01 0.00 0.41 -0.33 0.00 0.00 177.00 177.48 2wet n GLY 87 N 1.34 1.56 3.94 0.52 0.00 -1.26 -5.02 105.19 106.27 2wet n GLY 87 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2wet n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wet s GLU 88 N -0.07 3.51 0.21 1.61 0.41 -1.01 -4.89 118.70 118.47 2wet s GLU 88 Ca 0.00 -0.35 -0.19 0.00 -0.41 0.00 0.00 54.97 54.02 2wet s GLU 88 Cb 0.00 -2.76 0.03 0.00 -1.78 0.00 0.00 34.13 29.62 2wet s GLU 88 CO 0.00 0.29 0.58 1.52 -0.49 0.00 0.00 175.26 177.16 2wet s TYR 89 N -2.07 -0.16 0.21 1.61 -0.85 -1.26 -0.93 117.35 113.90 2wet s TYR 89 Ca 0.39 -0.19 -0.14 0.00 -0.52 0.00 0.00 57.07 56.61 2wet s TYR 89 Cb -0.10 0.47 0.01 0.00 0.38 0.00 0.00 41.96 42.72 2wet s TYR 89 CO 0.32 -0.98 0.47 -0.59 -1.52 0.00 0.00 175.55 173.24 2wet s PHE 90 N -3.88 0.16 -0.01 -3.49 -0.12 -1.01 -5.00 117.98 104.63 2wet s PHE 90 Ca 0.09 -0.52 -0.00 0.00 -0.05 0.00 0.00 56.93 56.45 2wet s PHE 90 Cb -0.02 0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 42.58 2wet s PHE 90 CO -0.01 -0.93 0.07 0.71 -0.05 0.00 0.00 175.22 175.00 2wet s TYR 91 N -3.95 3.25 -0.42 3.49 2.02 -1.26 -0.99 117.35 119.49 2wet s TYR 91 Ca 0.16 0.19 -0.06 0.00 -0.37 0.00 0.00 57.07 56.99 2wet s TYR 91 Cb -0.00 -1.73 0.10 0.00 -0.40 0.00 0.00 41.96 39.93 2wet s TYR 91 CO 0.03 0.54 0.25 -1.58 -1.57 0.00 0.00 175.55 173.21 2wet s HIS 92 N -1.17 3.48 0.24 2.71 5.65 0.16 -4.84 115.29 121.53 2wet s HIS 92 Ca 0.22 -2.08 0.05 0.00 0.25 0.00 0.00 55.06 53.50 2wet s HIS 92 Cb -0.12 -3.21 -0.03 0.00 -1.18 0.00 0.00 32.58 28.04 2wet s HIS 92 CO 0.13 -0.95 0.32 -1.25 -0.65 0.00 0.00 174.74 172.34 2wet s PRO 93 N 1.26 3.33 -1.13 2.88 0.04 -1.26 -0.38 135.00 139.74 2wet s PRO 93 Ca 0.06 -0.82 -0.17 0.00 0.04 0.00 0.00 61.00 60.11 2wet s PRO 93 Cb -0.24 -2.82 0.13 0.00 0.04 0.00 0.00 34.50 31.61 2wet s PRO 93 CO -0.02 0.43 1.40 -0.06 0.04 0.00 0.00 177.00 178.79 2wet s PHE 94 N -2.01 3.20 -0.29 0.56 0.08 -0.41 -4.90 117.98 114.22 2wet s PHE 94 Ca 0.34 -1.74 -0.15 0.00 0.12 0.00 0.00 56.93 55.49 2wet s PHE 94 Cb -0.09 -4.41 0.11 0.00 -0.57 0.00 0.00 43.02 38.06 2wet s PHE 94 CO 0.28 -1.53 0.76 -2.00 -0.10 0.00 0.00 175.22 172.62 2wet s GLU 95 N 2.59 0.60 0.33 0.44 2.12 -1.26 -3.27 118.70 120.25 2wet s GLU 95 Ca 0.42 1.12 -0.26 0.00 0.36 0.00 0.00 54.97 56.62 2wet s GLU 95 Cb -0.02 0.26 -0.10 0.00 0.26 0.00 0.00 34.13 34.53 2wet s GLU 95 CO -0.02 -0.14 0.96 1.03 -0.54 0.00 0.00 175.26 176.55 2wet s ARG 96 N 1.82 4.53 0.24 4.30 0.52 -1.12 -4.98 118.95 124.25 2wet s ARG 96 Ca -0.09 1.37 -0.30 0.00 -0.52 0.00 0.00 55.73 56.20 2wet s ARG 96 Cb -0.06 -2.78 -0.09 0.00 0.52 0.00 0.00 34.95 32.54 2wet s ARG 96 CO -0.19 0.22 1.22 -0.51 0.02 0.00 0.00 175.30 176.07 2wet s LEU 97 N -2.11 4.46 0.61 2.53 1.43 -1.26 -5.04 118.68 119.30 2wet s LEU 97 Ca 0.51 2.36 -0.16 0.00 -1.03 0.00 0.00 54.13 55.82 2wet s LEU 97 Cb -0.19 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.38 2wet s LEU 97 CO 0.25 -0.39 1.07 -0.13 0.23 0.00 0.00 176.35 177.38 2wet s ARG 98 N -0.75 3.22 -0.06 1.70 0.52 -1.26 -4.86 118.95 117.46 2wet s ARG 98 Ca 0.51 1.24 0.06 0.00 -0.52 0.00 0.00 55.73 57.02 2wet s ARG 98 Cb -0.35 -2.02 -0.01 0.00 0.52 0.00 0.00 34.95 33.09 2wet s ARG 98 CO 0.41 -0.89 -0.25 0.08 0.02 0.00 0.00 175.30 174.67 2wet s VAL 99 N -2.43 2.09 -0.09 3.52 1.01 -1.26 -1.67 120.40 121.56 2wet s VAL 99 Ca 0.64 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 61.57 2wet s VAL 99 Cb -0.17 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.48 2wet s VAL 99 CO 0.38 0.57 -0.09 -0.69 0.00 0.00 0.00 175.10 175.27 2wet s VAL 100 N -0.19 1.02 -1.72 2.92 1.01 0.07 -4.82 120.40 118.70 2wet s VAL 100 Ca -0.03 -0.34 -0.19 0.00 0.00 0.00 0.00 61.98 61.43 2wet s VAL 100 Cb -0.14 -1.00 0.16 0.00 0.00 0.00 0.00 36.38 35.41 2wet s VAL 100 CO 0.03 0.35 0.74 0.47 0.00 0.00 0.00 175.10 176.70 2wet n ASP 101 N 4.46 -2.97 0.00 3.32 10.43 -1.26 -1.45 116.55 129.08 2wet n ASP 101 Ca -0.17 -1.05 0.00 0.00 2.57 0.00 0.00 54.79 56.14 2wet n ASP 101 Cb 0.51 -2.60 0.00 0.00 1.84 0.00 0.00 41.12 40.87 2wet n ASP 101 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wet n GLY 102 N -1.39 0.91 3.17 0.44 0.00 -1.26 -5.05 105.19 102.02 2wet n GLY 102 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 2wet n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wet s PHE 103 N -2.52 1.58 0.94 1.61 0.40 -0.53 -5.12 117.98 114.34 2wet s PHE 103 Ca 0.00 -0.30 -0.13 0.00 -0.60 0.00 0.00 56.93 55.89 2wet s PHE 103 Cb 0.00 -1.01 0.16 0.00 0.51 0.00 0.00 43.02 42.68 2wet s PHE 103 CO 0.00 -0.02 1.15 0.54 0.70 0.00 0.00 175.22 177.59 2wet s ASN 104 N -0.50 3.26 0.41 1.36 2.20 -1.26 -0.75 114.94 119.66 2wet s ASN 104 Ca 0.07 0.89 0.18 0.00 -0.94 0.00 0.00 52.86 53.06 2wet s ASN 104 Cb -0.07 -1.40 0.89 0.00 -2.00 0.00 0.00 41.25 38.67 2wet s ASN 104 CO -0.00 -2.70 1.85 0.24 -2.94 0.00 0.00 177.10 173.55 2wet h MET 105 N -1.60 0.00 -0.16 3.55 2.86 -1.65 -2.53 114.93 115.40 2wet h MET 105 Ca -0.50 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.15 2wet h MET 105 Cb 1.32 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.97 2wet h MET 105 CO 0.58 0.31 0.09 0.00 1.06 0.00 0.00 176.91 178.95 2wet h ALA 106 N 1.69 0.19 -0.35 6.32 0.00 -1.91 0.46 119.26 125.65 2wet h ALA 106 Ca -0.00 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2wet h ALA 106 Cb 0.66 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2wet h ALA 106 CO 0.04 -0.34 0.20 0.93 0.00 0.00 0.00 179.25 180.07 2wet h GLU 107 N 0.18 0.39 -0.65 0.00 4.39 -1.82 -2.18 114.58 114.90 2wet h GLU 107 Ca 0.06 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 2wet h GLU 107 Cb -0.00 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 2wet h GLU 107 CO -0.03 0.26 0.22 -1.49 -1.16 0.00 0.00 179.01 176.81 2wet h TRP 108 N 0.40 0.99 -0.85 4.33 4.06 -1.21 -2.77 115.95 120.90 2wet h TRP 108 Ca 0.14 -0.08 0.02 0.00 2.06 0.00 0.00 58.89 61.03 2wet h TRP 108 Cb 0.02 -0.30 -0.05 0.00 -1.00 0.00 0.00 29.16 27.84 2wet h TRP 108 CO -0.08 0.78 0.56 2.35 -3.56 0.00 0.00 178.44 178.49 2wet h TRP 109 N 0.95 1.05 -0.23 0.49 7.01 0.39 0.32 115.95 125.93 2wet h TRP 109 Ca 0.22 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.19 2wet h TRP 109 Cb 0.24 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 26.93 2wet h TRP 109 CO 0.02 0.64 -0.08 -0.07 -2.79 0.00 0.00 178.44 176.16 2wet h LEU 110 N 1.12 0.34 0.10 0.65 3.38 -1.15 -1.14 115.31 118.60 2wet h LEU 110 Ca 0.32 -0.07 -0.27 0.00 0.09 0.00 0.00 57.88 57.96 2wet h LEU 110 Cb -0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2wet h LEU 110 CO -0.08 0.46 -1.39 0.00 0.09 0.00 0.00 178.44 177.52 2wet h ALA 111 N 1.58 0.19 0.00 1.53 0.00 -1.00 -3.43 119.26 118.14 2wet h ALA 111 Ca 0.07 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.88 2wet h ALA 111 Cb 0.36 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2wet h ALA 111 CO 0.02 0.82 0.00 1.33 0.00 0.00 0.00 179.25 181.41 2wet n VAL 112 N -3.97 0.00 0.00 0.00 0.24 0.10 -5.06 118.33 109.65 2wet n VAL 112 Ca -0.26 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 2wet n VAL 112 Cb 0.87 1.34 0.00 0.00 -1.47 0.00 0.00 33.84 34.59 2wet n VAL 112 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wet n GLY 113 N 0.06 -2.77 3.68 7.63 0.00 -0.43 -5.00 105.19 108.36 2wet n GLY 113 Ca 0.00 -1.20 -0.31 0.00 0.00 0.00 0.00 46.02 44.52 2wet n GLY 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wet s SER 118 N -1.82 3.19 0.09 1.61 1.04 -1.26 -5.10 113.70 111.45 2wet s SER 118 Ca 0.00 1.92 -0.34 0.00 0.48 0.00 0.00 55.95 58.01 2wet s SER 118 Cb 0.00 -2.47 -0.15 0.00 0.10 0.00 0.00 66.02 63.50 2wet s SER 118 CO 0.00 -2.89 1.58 0.15 0.98 0.00 0.00 173.24 173.06 2wet h PHE 119 N -1.72 -1.29 -0.50 5.02 3.57 -1.99 -0.10 116.94 119.93 2wet h PHE 119 Ca -0.46 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.07 2wet h PHE 119 Cb 1.27 0.51 -0.03 0.00 2.79 0.00 0.00 35.95 40.49 2wet h PHE 119 CO 0.49 -0.61 0.33 0.66 -2.23 0.00 0.00 178.31 176.95 2wet h SER 120 N -0.89 0.52 -0.28 0.41 4.64 -1.96 -1.02 113.55 114.97 2wet h SER 120 Ca -0.04 -0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.09 2wet h SER 120 Cb 0.80 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2wet h SER 120 CO -0.10 0.36 -0.54 -0.08 -0.87 0.00 0.00 176.83 175.60 2wet h GLU 121 N 0.60 0.85 -0.07 4.77 4.81 -1.77 -1.82 114.58 121.96 2wet h GLU 121 Ca 0.20 -0.55 -0.17 0.00 -0.13 0.00 0.00 59.36 58.71 2wet h GLU 121 Cb 0.04 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2wet h GLU 121 CO -0.05 1.18 -0.68 0.00 -0.73 0.00 0.00 179.01 178.73 2wet h ALA 122 N 0.67 0.71 0.00 2.92 0.00 -0.53 -3.38 119.26 119.65 2wet h ALA 122 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2wet h ALA 122 Cb 1.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2wet h ALA 122 CO 0.12 0.77 -1.42 0.00 0.00 0.00 0.00 179.25 178.72 2wet s TYR 124 N -3.17 1.40 0.30 0.00 2.02 -0.69 -4.80 117.35 112.40 2wet s TYR 124 Ca 0.01 -0.60 0.01 0.00 -0.37 0.00 0.00 57.07 56.12 2wet s TYR 124 Cb 0.15 -1.11 0.55 0.00 -0.40 0.00 0.00 41.96 41.15 2wet s TYR 124 CO 0.86 -0.38 1.88 -0.07 -1.57 0.00 0.00 175.55 176.27 2wet h LEU 125 N 7.56 0.90 -2.08 -1.29 3.38 -1.89 -2.68 115.31 119.21 2wet h LEU 125 Ca -0.31 0.02 0.09 0.00 0.09 0.00 0.00 57.88 57.77 2wet h LEU 125 Cb 1.16 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2wet h LEU 125 CO 0.44 0.54 0.26 0.74 0.09 0.00 0.00 178.44 180.50 2wet h THR 126 N 1.00 0.66 -0.45 0.22 2.02 -1.94 -1.60 112.91 112.82 2wet h THR 126 Ca 0.44 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.64 2wet h THR 126 Cb 0.35 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 2wet h THR 126 CO -0.19 0.00 0.27 -0.74 0.37 0.00 0.00 175.52 175.22 2wet h HIS 127 N 0.00 0.50 -0.31 3.16 -0.00 -1.74 -1.19 115.15 115.58 2wet h HIS 127 Ca 0.15 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.45 2wet h HIS 127 Cb 0.65 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.90 2wet h HIS 127 CO 0.00 0.29 -0.13 0.00 -0.00 0.00 0.00 177.93 178.09 2wet h ARG 128 N 0.54 0.64 -0.86 5.26 2.47 -1.46 -1.64 114.38 119.32 2wet h ARG 128 Ca 0.18 -0.27 0.06 0.00 -1.26 0.00 0.00 59.98 58.69 2wet h ARG 128 Cb 0.01 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.25 2wet h ARG 128 CO -0.08 0.85 0.54 -0.07 0.56 0.00 0.00 179.97 181.77 2wet h LEU 129 N 0.40 0.85 -0.01 3.04 4.07 -1.36 0.40 115.31 122.69 2wet h LEU 129 Ca 0.07 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 2wet h LEU 129 Cb 0.65 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.23 2wet h LEU 129 CO 0.04 0.54 0.00 0.00 -1.08 0.00 0.00 178.44 177.95 2wet h GLU 131 N -0.25 1.00 -0.24 0.00 4.39 -0.90 -1.26 114.58 117.32 2wet h GLU 131 Ca 0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2wet h GLU 131 Cb 0.28 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2wet h GLU 131 CO 0.00 0.66 0.00 0.00 -1.16 0.00 0.00 179.01 178.51 2wet n ALA 132 N -2.40 2.48 -3.61 3.43 0.00 0.10 -4.96 120.51 115.55 2wet n ALA 132 Ca 0.13 -0.69 -0.26 0.00 0.00 0.00 0.00 53.44 52.63 2wet n ALA 132 Cb 0.17 -1.01 0.06 0.00 0.00 0.00 0.00 19.45 18.67 2wet n ALA 132 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wet n LYS 133 N 0.75 -6.72 -2.49 0.00 5.02 -0.36 -4.93 118.16 109.43 2wet n LYS 133 Ca 0.17 0.76 -0.31 0.00 -2.02 0.00 0.00 58.31 56.91 2wet n LYS 133 Cb 0.43 -5.73 -0.02 0.00 -0.02 0.00 0.00 35.03 29.68 2wet n LYS 133 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wet s ARG 134 N -6.32 3.81 0.46 1.97 1.81 0.36 -0.88 118.95 120.16 2wet s ARG 134 Ca 0.57 0.71 -0.16 0.00 -1.72 0.00 0.00 55.73 55.13 2wet s ARG 134 Cb -0.26 -2.23 -0.08 0.00 -0.45 0.00 0.00 34.95 31.92 2wet s ARG 134 CO 0.71 -0.23 0.92 0.00 -0.68 0.00 0.00 175.30 176.01 2wet s ALA 135 N -2.63 3.13 -2.00 2.13 0.00 -0.23 -4.21 121.76 117.94 2wet s ALA 135 Ca 0.55 0.15 0.10 0.00 0.00 0.00 0.00 51.96 52.75 2wet s ALA 135 Cb -0.10 -3.03 0.57 0.00 0.00 0.00 0.00 23.12 20.56 2wet s ALA 135 CO 0.36 -0.08 1.36 -0.35 0.00 0.00 0.00 175.76 177.05 2wet n PRO 136 N -1.24 0.99 -4.22 0.00 -0.04 -1.26 -4.76 135.00 124.48 2wet n PRO 136 Ca 0.06 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.33 2wet n PRO 136 Cb 0.54 -1.15 -0.12 0.00 -0.04 0.00 0.00 33.50 32.73 2wet n PRO 136 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2wet s ARG 137 N -2.00 0.85 0.82 0.54 0.52 -1.26 -1.77 118.95 116.65 2wet s ARG 137 Ca 0.14 -0.92 -0.12 0.00 -0.52 0.00 0.00 55.73 54.32 2wet s ARG 137 Cb 0.07 -0.87 0.08 0.00 0.52 0.00 0.00 34.95 34.75 2wet s ARG 137 CO 0.11 0.20 1.10 -1.64 0.02 0.00 0.00 175.30 175.09 2wet s MET 138 N -1.61 1.90 0.49 3.54 -1.94 -0.44 -4.36 119.30 116.89 2wet s MET 138 Ca -0.01 0.57 0.16 0.00 -1.71 0.00 0.00 55.69 54.70 2wet s MET 138 Cb -0.09 -1.90 1.19 0.00 2.01 0.00 0.00 34.83 36.03 2wet s MET 138 CO 0.02 -1.73 2.09 -0.07 -0.01 0.00 0.00 175.02 175.32 2wet h LEU 139 N -1.17 0.00 0.00 -0.03 3.38 -1.91 0.57 115.31 116.15 2wet h LEU 139 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2wet h LEU 139 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2wet h LEU 139 CO 0.60 0.08 0.00 -0.90 0.09 0.00 0.00 178.44 178.30 2wet n ASP 140 N -4.40 0.00 0.00 -0.43 5.68 -1.26 -4.87 116.55 111.26 2wet n ASP 140 Ca -0.03 -0.95 0.00 0.00 -0.50 0.00 0.00 54.79 53.32 2wet n ASP 140 Cb 0.15 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 2wet n ASP 140 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wet n GLY 141 N 0.51 0.97 3.77 6.12 0.00 0.19 -5.04 105.19 111.72 2wet n GLY 141 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 2wet n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wet s SER 142 N -3.02 6.71 0.36 1.61 1.04 -1.26 -4.77 113.70 114.37 2wet s SER 142 Ca 0.00 2.20 -0.27 0.00 0.48 0.00 0.00 55.95 58.36 2wet s SER 142 Cb 0.00 -2.60 -0.09 0.00 0.10 0.00 0.00 66.02 63.43 2wet s SER 142 CO 0.00 -0.53 1.19 -0.22 0.98 0.00 0.00 173.24 174.65 2wet s LEU 143 N -2.43 4.32 0.34 2.42 2.96 -1.26 -1.33 118.68 123.70 2wet s LEU 143 Ca 0.56 2.41 0.02 0.00 -0.22 0.00 0.00 54.13 56.90 2wet s LEU 143 Cb -0.27 -3.85 0.60 0.00 0.50 0.00 0.00 46.19 43.17 2wet s LEU 143 CO 0.34 -0.53 1.96 2.19 -1.32 0.00 0.00 176.35 178.99 2wet h PHE 144 N 3.06 0.76 0.00 5.38 -0.00 -1.72 -3.46 116.94 120.96 2wet h PHE 144 Ca -0.48 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.48 2wet h PHE 144 Cb 1.23 -0.25 0.00 0.00 -0.00 0.00 0.00 35.95 36.93 2wet h PHE 144 CO 0.56 0.53 0.00 0.00 -0.00 0.00 0.00 178.31 179.40 2wet n ALA 145 N -2.45 0.00 0.00 12.09 0.00 -1.26 -5.10 120.51 123.79 2wet n ALA 145 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2wet n ALA 145 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 2wet n ALA 145 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2wet n GLU 159 N 0.00 0.00 0.17 0.00 4.07 -1.26 -5.17 120.64 118.45 2wet n GLU 159 Ca 0.00 0.00 0.14 0.00 -0.06 0.00 0.00 57.16 57.24 2wet n GLU 159 Cb 0.00 0.00 0.50 0.00 -0.06 0.00 0.00 31.44 31.88 2wet n GLU 159 CO 0.00 0.00 0.00 -0.56 -0.06 0.00 0.00 177.13 176.51 2wet h GLN 160 N 0.00 0.00 0.00 5.31 3.07 -2.01 -3.23 115.11 118.25 2wet h GLN 160 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.67 2wet h GLN 160 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 2wet h GLN 160 CO 0.00 0.00 -0.31 -0.09 0.09 0.00 0.00 178.83 178.52 2wet h ARG 161 N 0.00 0.00 0.00 0.06 9.65 -2.02 -3.03 114.38 119.04 2wet h ARG 161 Ca 0.00 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.69 2wet h ARG 161 Cb 0.53 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.08 2wet h ARG 161 CO 0.00 0.31 -0.91 0.00 2.80 0.00 0.00 179.97 182.18 2wet h ALA 162 N 1.69 0.46 -0.17 2.80 0.00 -1.98 -2.80 119.26 119.24 2wet h ALA 162 Ca -0.00 -0.82 -0.13 0.00 0.00 0.00 0.00 54.91 53.96 2wet h ALA 162 Cb 0.78 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2wet h ALA 162 CO 0.04 1.13 -0.44 0.37 0.00 0.00 0.00 179.25 180.36 2wet h GLN 163 N 0.00 0.42 -2.64 0.00 5.75 -1.66 -3.30 115.11 113.68 2wet h GLN 163 Ca -0.01 -0.22 -0.60 0.00 -0.15 0.00 0.00 58.65 57.67 2wet h GLN 163 Cb 1.65 0.01 -0.40 0.00 1.07 0.00 0.00 27.48 29.80 2wet h GLN 163 CO 0.12 0.78 -0.75 1.19 -2.65 0.00 0.00 178.83 177.52 2wet n PHE 164 N -4.01 1.67 -1.28 3.99 3.72 -1.20 -2.80 117.46 117.56 2wet n PHE 164 Ca -0.02 -3.91 -0.37 0.00 -0.05 0.00 0.00 57.45 53.10 2wet n PHE 164 Cb 0.52 -0.31 -0.02 0.00 -0.94 0.00 0.00 39.48 38.72 2wet n PHE 164 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2wet n PRO 165 N 2.03 2.81 -1.91 -1.08 -0.04 -1.06 -4.82 135.00 130.93 2wet n PRO 165 Ca 0.25 -2.10 -0.36 0.00 -0.04 0.00 0.00 63.50 61.24 2wet n PRO 165 Cb 0.42 -2.88 0.05 0.00 -0.04 0.00 0.00 33.50 31.04 2wet n PRO 165 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2wet s TYR 166 N 3.12 2.29 0.00 0.54 1.13 -1.26 -4.41 117.35 118.76 2wet s TYR 166 Ca 0.55 1.51 0.00 0.00 -1.41 0.00 0.00 57.07 57.72 2wet s TYR 166 Cb 0.15 -3.53 0.00 0.00 -1.10 0.00 0.00 41.96 37.47 2wet s TYR 166 CO -0.04 -2.42 0.00 0.00 -2.51 0.00 0.00 175.55 170.58 2wet n ALA 167 N -1.75 0.00 -2.70 9.51 0.00 -0.14 -4.84 120.51 120.59 2wet n ALA 167 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.49 2wet n ALA 167 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 2wet n ALA 167 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2wet s TYR 168 N 2.13 0.24 0.00 0.00 1.51 -1.26 -1.49 117.35 118.48 2wet s TYR 168 Ca 0.00 -0.56 0.02 0.00 -1.01 0.00 0.00 57.07 55.52 2wet s TYR 168 Cb 0.00 -0.17 -0.04 0.00 -0.11 0.00 0.00 41.96 41.64 2wet s TYR 168 CO 0.00 -0.34 -0.01 -1.01 -1.11 0.00 0.00 175.55 173.09 2wet s HIS 169 N -2.55 3.05 0.16 2.71 3.76 -0.69 -1.17 115.29 120.57 2wet s HIS 169 Ca -0.06 0.07 -0.17 0.00 -0.15 0.00 0.00 55.06 54.75 2wet s HIS 169 Cb -0.02 -1.66 0.03 0.00 1.11 0.00 0.00 32.58 32.04 2wet s HIS 169 CO -0.04 0.45 0.47 -0.59 -0.85 0.00 0.00 174.74 174.17 2wet s PHE 170 N -1.08 -0.15 -0.06 1.40 -0.00 0.14 -0.67 117.98 117.56 2wet s PHE 170 Ca 0.19 -0.18 -0.30 0.00 -0.00 0.00 0.00 56.93 56.65 2wet s PHE 170 Cb -0.11 0.32 -0.03 0.00 -0.00 0.00 0.00 43.02 43.20 2wet s PHE 170 CO 0.10 -0.82 1.11 0.34 -0.00 0.00 0.00 175.22 175.96 2wet s ASP 171 N -2.84 7.14 0.27 1.98 -1.08 -0.57 -4.46 116.67 117.11 2wet s ASP 171 Ca 0.07 1.71 -0.03 0.00 -0.52 0.00 0.00 52.55 53.78 2wet s ASP 171 Cb 0.00 -2.56 0.36 0.00 -1.46 0.00 0.00 42.92 39.26 2wet s ASP 171 CO -0.07 -0.51 1.83 0.00 0.52 0.00 0.00 175.17 176.95 2wet h ALA 172 N 7.25 1.20 -0.37 3.66 0.00 -1.88 -1.58 119.26 127.53 2wet h ALA 172 Ca -0.34 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 2wet h ALA 172 Cb 1.16 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2wet h ALA 172 CO 0.86 0.57 0.06 -0.44 0.00 0.00 0.00 179.25 180.29 2wet h ASP 173 N 0.91 0.59 -0.27 0.00 3.32 -1.92 -3.12 116.42 115.94 2wet h ASP 173 Ca 0.21 -0.26 -0.16 0.00 0.02 0.00 0.00 57.03 56.83 2wet h ASP 173 Cb 0.23 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 2wet h ASP 173 CO -0.01 0.70 -0.45 -0.33 -1.72 0.00 0.00 179.24 177.43 2wet h GLU 174 N 0.46 0.83 -0.71 3.56 4.39 -1.77 -2.31 114.58 119.03 2wet h GLU 174 Ca 0.11 -0.47 -0.05 0.00 0.34 0.00 0.00 59.36 59.30 2wet h GLU 174 Cb 0.36 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 2wet h GLU 174 CO 0.01 1.11 0.26 -0.24 -1.16 0.00 0.00 179.01 178.99 2wet h VAL 175 N 0.67 1.25 -0.49 3.13 3.04 -1.34 0.30 116.25 122.81 2wet h VAL 175 Ca 0.04 -0.82 -0.03 0.00 -1.01 0.00 0.00 66.70 64.88 2wet h VAL 175 Cb 1.04 0.45 -0.02 0.00 -2.01 0.00 0.00 31.29 30.75 2wet h VAL 175 CO 0.10 0.32 0.19 0.00 -1.01 0.00 0.00 177.57 177.18 2wet h ALA 176 N 1.12 0.64 -0.06 3.17 0.00 -1.48 0.22 119.26 122.88 2wet h ALA 176 Ca 0.23 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2wet h ALA 176 Cb 0.24 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2wet h ALA 176 CO -0.02 0.25 0.03 -0.09 0.00 0.00 0.00 179.25 179.43 2wet h ARG 177 N 0.65 0.08 -0.21 0.00 2.43 -1.04 -1.09 114.38 115.20 2wet h ARG 177 Ca 0.16 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2wet h ARG 177 Cb 0.21 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2wet h ARG 177 CO -0.01 0.13 0.13 -0.92 -1.51 0.00 0.00 179.97 177.79 2wet h TYR 178 N 0.00 0.27 -0.20 2.20 3.20 -0.25 -2.72 116.97 119.47 2wet h TYR 178 Ca 0.02 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.77 2wet h TYR 178 Cb 0.08 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 2wet h TYR 178 CO -0.05 0.19 -0.41 -0.07 -1.64 0.00 0.00 178.16 176.19 2wet h LEU 179 N 0.27 0.48 -0.92 2.82 3.38 -0.91 -2.13 115.31 118.29 2wet h LEU 179 Ca 0.08 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2wet h LEU 179 Cb -0.01 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 2wet h LEU 179 CO -0.02 0.84 0.42 0.77 0.09 0.00 0.00 178.44 180.54 2wet h SER 180 N 0.38 1.07 -0.40 -0.43 4.64 -1.13 0.35 113.55 118.03 2wet h SER 180 Ca 0.03 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 2wet h SER 180 Cb 0.88 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 2wet h SER 180 CO 0.07 0.89 0.19 -0.08 -0.87 0.00 0.00 176.83 177.03 2wet h GLU 181 N 1.18 0.58 -0.07 4.77 4.81 -1.26 0.58 114.58 125.17 2wet h GLU 181 Ca 0.29 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.45 2wet h GLU 181 Cb 0.09 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2wet h GLU 181 CO -0.04 0.52 -0.07 -0.92 -0.73 0.00 0.00 179.01 177.77 2wet h TYR 182 N 0.50 -0.16 -0.16 0.92 3.20 -0.72 0.58 116.97 121.14 2wet h TYR 182 Ca 0.14 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 2wet h TYR 182 Cb 0.13 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 2wet h TYR 182 CO -0.01 -0.10 0.08 0.00 -1.64 0.00 0.00 178.16 176.48 2wet h ALA 183 N 0.98 0.21 -0.53 1.82 0.00 -0.86 -2.89 119.26 117.99 2wet h ALA 183 Ca 0.05 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2wet h ALA 183 Cb 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2wet h ALA 183 CO -0.12 -0.23 0.07 0.82 0.00 0.00 0.00 179.25 179.78 2wet h ILE 184 N 0.13 1.24 0.00 0.00 2.04 -0.79 -1.42 117.51 118.71 2wet h ILE 184 Ca 0.05 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 2wet h ILE 184 Cb 0.12 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 2wet h ILE 184 CO -0.01 0.34 -0.04 0.00 0.00 0.00 0.00 178.15 178.44 2wet h ALA 185 N 1.27 1.74 -0.51 1.87 0.00 -0.79 -2.33 119.26 120.52 2wet h ALA 185 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2wet h ALA 185 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2wet h ALA 185 CO 0.01 0.05 0.00 0.54 0.00 0.00 0.00 179.25 179.85 2wet n ARG 186 N -4.21 2.48 0.00 0.00 1.74 -0.62 -4.93 116.66 111.12 2wet n ARG 186 Ca -0.03 -2.26 0.00 0.00 -0.77 0.00 0.00 57.85 54.79 2wet n ARG 186 Cb 0.12 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 2wet n ARG 186 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wet n GLY 187 N 1.51 0.95 3.69 -0.13 0.00 -0.88 -4.98 105.19 105.35 2wet n GLY 187 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2wet n GLY 187 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wet s VAL 188 N -2.00 3.09 -0.05 1.61 1.01 -0.72 -4.74 120.40 118.60 2wet s VAL 188 Ca 0.00 0.50 -0.30 0.00 0.00 0.00 0.00 61.98 62.18 2wet s VAL 188 Cb 0.00 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 2wet s VAL 188 CO 0.00 -0.01 1.07 -0.60 0.00 0.00 0.00 175.10 175.56 2wet s ARG 189 N 2.79 4.44 -0.19 2.72 3.52 -0.14 -4.47 118.95 127.62 2wet s ARG 189 Ca 0.74 1.51 -0.04 0.00 -0.13 0.00 0.00 55.73 57.81 2wet s ARG 189 Cb -0.39 -3.50 -0.02 0.00 -1.56 0.00 0.00 34.95 29.48 2wet s ARG 189 CO 0.32 -0.27 -0.03 -1.58 -0.81 0.00 0.00 175.30 172.93 2wet s HIS 190 N 1.69 3.00 -0.11 5.12 5.65 -1.26 -0.02 115.29 129.36 2wet s HIS 190 Ca 0.52 -0.54 0.03 0.00 0.25 0.00 0.00 55.06 55.32 2wet s HIS 190 Cb -0.22 -2.04 0.01 0.00 -1.18 0.00 0.00 32.58 29.15 2wet s HIS 190 CO 0.23 -0.26 -0.20 0.08 -0.65 0.00 0.00 174.74 173.94 2wet s VAL 191 N 0.91 1.82 -0.46 0.89 1.01 0.33 -4.97 120.40 119.94 2wet s VAL 191 Ca 0.00 -0.85 -0.13 0.00 0.00 0.00 0.00 61.98 61.00 2wet s VAL 191 Cb -0.14 -1.61 0.09 0.00 0.00 0.00 0.00 36.38 34.71 2wet s VAL 191 CO 0.01 0.51 0.35 -0.69 0.00 0.00 0.00 175.10 175.28 2wet s VAL 192 N 0.71 4.77 0.11 2.92 1.01 -1.26 -1.42 120.40 127.23 2wet s VAL 192 Ca -0.11 -1.31 -0.26 0.00 0.00 0.00 0.00 61.98 60.30 2wet s VAL 192 Cb -0.16 -3.93 0.07 0.00 0.00 0.00 0.00 36.38 32.37 2wet s VAL 192 CO 0.02 -0.61 0.86 -0.62 0.00 0.00 0.00 175.10 174.75 2wet s ASP 193 N 2.56 -0.31 -0.12 3.32 -1.08 -0.10 -4.79 116.67 116.15 2wet s ASP 193 Ca 0.04 -0.22 -0.15 0.00 -0.52 0.00 0.00 52.55 51.70 2wet s ASP 193 Cb -0.25 0.49 -0.05 0.00 -1.46 0.00 0.00 42.92 41.65 2wet s ASP 193 CO 0.04 -0.85 0.36 -1.81 0.52 0.00 0.00 175.17 173.43 2wet s ASP 194 N -2.74 6.57 -0.17 -0.34 1.01 -1.26 -2.66 116.67 117.07 2wet s ASP 194 Ca 0.08 0.67 -0.29 0.00 0.71 0.00 0.00 52.55 53.72 2wet s ASP 194 Cb -0.02 -2.22 -0.00 0.00 1.01 0.00 0.00 42.92 41.69 2wet s ASP 194 CO -0.04 0.12 1.08 -0.69 0.21 0.00 0.00 175.17 175.85 2wet s VAL 195 N 0.22 4.60 -0.15 -1.27 1.01 -1.26 -1.28 120.40 122.26 2wet s VAL 195 Ca 0.20 1.91 0.17 0.00 0.00 0.00 0.00 61.98 64.27 2wet s VAL 195 Cb -0.14 -4.23 -0.25 0.00 0.00 0.00 0.00 36.38 31.76 2wet s VAL 195 CO 0.07 -0.11 0.25 0.00 0.00 0.00 0.00 175.10 175.32 2wet n GLN 196 N 5.91 0.67 -3.71 2.72 6.02 0.72 -4.97 117.38 124.75 2wet n GLN 196 Ca 0.11 0.05 -0.14 0.00 -0.01 0.00 0.00 57.00 57.02 2wet n GLN 196 Cb 0.47 -1.59 -0.09 0.00 1.02 0.00 0.00 30.24 30.04 2wet n GLN 196 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2wet s HIS 197 N -2.59 -0.46 -0.28 1.08 5.04 -1.17 -5.03 115.29 111.88 2wet s HIS 197 Ca -0.08 1.08 -0.06 0.00 -1.54 0.00 0.00 55.06 54.46 2wet s HIS 197 Cb 0.07 0.18 0.01 0.00 0.04 0.00 0.00 32.58 32.88 2wet s HIS 197 CO 0.83 -0.29 0.05 0.08 -2.34 0.00 0.00 174.74 173.07 2wet s VAL 198 N -0.08 3.71 0.43 0.89 1.01 -1.26 -0.18 120.40 124.92 2wet s VAL 198 Ca -0.03 -0.76 -0.23 0.00 0.00 0.00 0.00 61.98 60.97 2wet s VAL 198 Cb -0.03 -2.90 -0.09 0.00 0.00 0.00 0.00 36.38 33.36 2wet s VAL 198 CO 0.02 0.12 1.06 -0.83 0.00 0.00 0.00 175.10 175.47 2wet s GLY 199 N 1.46 2.68 0.04 4.51 0.00 0.31 -4.99 107.32 111.33 2wet s GLY 199 Ca 0.02 0.71 0.05 0.00 0.00 0.00 0.00 44.72 45.50 2wet s GLY 199 CO 0.01 1.11 -0.15 1.20 0.00 0.00 0.00 173.10 175.27 2wet s GLN 200 N -2.73 1.03 0.28 2.90 -0.21 -1.26 -1.17 119.66 118.50 2wet s GLN 200 Ca 0.61 -0.78 -0.04 0.00 0.02 0.00 0.00 55.36 55.17 2wet s GLN 200 Cb -0.21 -1.06 0.06 0.00 1.00 0.00 0.00 33.01 32.80 2wet s GLN 200 CO 0.26 0.27 0.38 -0.40 -2.12 0.00 0.00 175.29 173.68 2wet n ASP 201 N 1.93 0.13 0.00 5.90 5.68 0.59 -4.75 116.55 126.02 2wet n ASP 201 Ca -0.18 -1.20 0.10 0.00 -0.50 0.00 0.00 54.79 53.02 2wet n ASP 201 Cb 0.54 -0.28 0.53 0.00 -1.14 0.00 0.00 41.12 40.77 2wet n ASP 201 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2wet n GLU 202 N -1.78 0.33 0.00 0.11 0.28 -1.26 -1.72 120.64 116.60 2wet n GLU 202 Ca 0.05 0.08 0.10 0.00 -0.16 0.00 0.00 57.16 57.24 2wet n GLU 202 Cb 0.18 -1.50 0.08 0.00 1.43 0.00 0.00 31.44 31.63 2wet n GLU 202 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2wet n ARG 203 N -1.25 1.84 -0.82 3.44 1.74 -1.26 -4.96 116.66 115.39 2wet n ARG 203 Ca 0.10 -1.70 0.00 0.00 -0.77 0.00 0.00 57.85 55.48 2wet n ARG 203 Cb 0.15 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 2wet n ARG 203 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wet n GLY 204 N 1.16 0.74 3.80 -0.13 0.00 -0.70 -5.04 105.19 105.02 2wet n GLY 204 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 2wet n GLY 204 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wet s TRP 205 N -2.76 3.25 0.03 1.61 0.52 -1.26 -4.79 118.94 115.55 2wet s TRP 205 Ca 0.00 1.63 -0.30 0.00 0.02 0.00 0.00 56.10 57.44 2wet s TRP 205 Cb 0.00 -2.98 -0.06 0.00 -1.15 0.00 0.00 33.47 29.28 2wet s TRP 205 CO 0.00 -0.39 1.40 0.42 0.02 0.00 0.00 176.95 178.40 2wet s ILE 206 N -1.95 3.62 -0.16 2.03 1.01 -1.26 -0.30 121.20 124.19 2wet s ILE 206 Ca 0.61 1.06 0.12 0.00 0.00 0.00 0.00 60.65 62.44 2wet s ILE 206 Cb -0.15 -3.68 -0.23 0.00 0.01 0.00 0.00 42.46 38.41 2wet s ILE 206 CO 0.19 0.02 0.20 -1.54 0.00 0.00 0.00 174.94 173.82 2wet n SER 207 N 4.99 0.72 -3.59 3.58 3.41 -0.31 -4.81 113.62 117.61 2wet n SER 207 Ca 0.13 0.11 0.02 0.00 -0.26 0.00 0.00 58.87 58.86 2wet n SER 207 Cb 0.43 0.34 -0.01 0.00 -0.26 0.00 0.00 64.21 64.72 2wet n SER 207 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2wet s GLY 208 N -5.56 -0.40 -0.15 5.00 0.00 -1.23 -4.22 107.32 100.76 2wet s GLY 208 Ca -0.14 1.20 -0.03 0.00 0.00 0.00 0.00 44.72 45.76 2wet s GLY 208 CO 0.79 0.31 -0.05 -1.34 0.00 0.00 0.00 173.10 172.80 2wet s VAL 209 N -2.11 3.73 -0.30 1.40 -7.23 0.01 -0.53 120.40 115.37 2wet s VAL 209 Ca 0.14 -0.42 -0.15 0.00 -1.81 0.00 0.00 61.98 59.74 2wet s VAL 209 Cb 0.05 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 2wet s VAL 209 CO -0.05 0.50 0.36 -1.00 -0.31 0.00 0.00 175.10 174.60 2wet s HIS 210 N 0.38 3.23 0.21 2.82 3.76 0.75 -0.67 115.29 125.77 2wet s HIS 210 Ca -0.05 0.20 0.04 0.00 -0.15 0.00 0.00 55.06 55.10 2wet s HIS 210 Cb -0.15 -2.61 -0.03 0.00 1.11 0.00 0.00 32.58 30.90 2wet s HIS 210 CO 0.03 -0.32 0.33 0.95 -0.85 0.00 0.00 174.74 174.89 2wet s THR 211 N 2.04 5.28 0.43 1.30 -4.23 -0.24 -0.20 115.64 120.02 2wet s THR 211 Ca 0.13 -0.88 0.08 0.00 -1.18 0.00 0.00 61.69 59.84 2wet s THR 211 Cb -0.16 -3.82 0.27 0.00 1.34 0.00 0.00 72.50 70.13 2wet s THR 211 CO 0.11 -0.24 2.07 0.50 -0.54 0.00 0.00 174.62 176.52 2wet h LYS 212 N 1.52 0.46 0.00 3.99 3.64 -1.50 -3.34 116.57 121.35 2wet h LYS 212 Ca -0.51 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 2wet h LYS 212 Cb 1.22 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2wet h LYS 212 CO 0.64 0.31 0.00 1.04 -2.27 0.00 0.00 179.45 179.16 2wet n GLN 213 N -4.48 1.92 -0.12 1.90 1.13 -1.26 -4.83 117.38 111.63 2wet n GLN 213 Ca 0.02 -0.04 0.05 0.00 -1.94 0.00 0.00 57.00 55.09 2wet n GLN 213 Cb 0.07 -0.28 0.10 0.00 0.11 0.00 0.00 30.24 30.24 2wet n GLN 213 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2wet n HIS 214 N -0.28 0.27 -4.58 1.08 8.25 -1.26 -5.10 115.22 113.58 2wet n HIS 214 Ca 0.00 -0.64 0.00 0.00 -0.26 0.00 0.00 57.72 56.82 2wet n HIS 214 Cb 0.03 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.05 2wet n HIS 214 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wet n GLY 215 N -0.36 0.42 3.77 -1.41 0.00 -1.25 -4.75 105.19 101.60 2wet n GLY 215 Ca 0.09 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 2wet n GLY 215 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wet s GLU 216 N 0.00 4.27 -0.23 1.61 2.12 -1.26 -1.08 118.70 124.13 2wet s GLU 216 Ca 0.00 0.66 0.00 0.00 0.36 0.00 0.00 54.97 55.99 2wet s GLU 216 Cb 0.00 -3.33 0.03 0.00 0.26 0.00 0.00 34.13 31.09 2wet s GLU 216 CO 0.00 0.40 -0.11 0.42 -0.54 0.00 0.00 175.26 175.43 2wet s ILE 217 N -0.25 2.48 0.29 -3.70 1.01 0.15 -4.94 121.20 116.24 2wet s ILE 217 Ca 0.29 -1.17 0.08 0.00 0.00 0.00 0.00 60.65 59.85 2wet s ILE 217 Cb -0.18 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 2wet s ILE 217 CO 0.16 0.22 0.19 -0.44 0.00 0.00 0.00 174.94 175.07 2wet s SER 218 N 1.25 5.22 0.04 3.58 0.01 -1.26 -0.81 113.70 121.73 2wet s SER 218 Ca -0.01 -0.44 -0.27 0.00 1.31 0.00 0.00 55.95 56.53 2wet s SER 218 Cb -0.17 -1.11 0.10 0.00 0.21 0.00 0.00 66.02 65.05 2wet s SER 218 CO -0.07 -0.16 1.20 -0.83 0.41 0.00 0.00 173.24 173.79 2wet s GLY 219 N -3.87 -0.19 -0.02 3.44 0.00 -1.26 -4.88 107.32 100.54 2wet s GLY 219 Ca 0.36 0.20 -0.20 0.00 0.00 0.00 0.00 44.72 45.07 2wet s GLY 219 CO 0.24 2.48 0.95 -0.55 0.00 0.00 0.00 173.10 176.22 2wet h ASP 220 N 2.00 0.57 -3.79 1.64 3.32 -1.69 -3.46 116.42 115.01 2wet h ASP 220 Ca -0.26 -0.92 -0.68 0.00 0.02 0.00 0.00 57.03 55.18 2wet h ASP 220 Cb 1.20 -0.18 -0.30 0.00 0.22 0.00 0.00 39.33 40.26 2wet h ASP 220 CO 0.31 1.45 -0.86 -0.22 -1.72 0.00 0.00 179.24 178.20 2wet s LEU 221 N -7.87 2.22 -0.11 1.55 2.96 -0.81 -4.87 118.68 111.75 2wet s LEU 221 Ca -0.12 -0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 53.32 2wet s LEU 221 Cb 0.02 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 2wet s LEU 221 CO 0.86 0.23 -0.09 -0.36 -1.32 0.00 0.00 176.35 175.67 2wet s PHE 222 N -0.05 2.89 -0.23 5.38 0.08 -0.16 -0.23 117.98 125.66 2wet s PHE 222 Ca -0.06 -0.30 -0.03 0.00 0.12 0.00 0.00 56.93 56.65 2wet s PHE 222 Cb -0.15 -1.81 -0.00 0.00 -0.57 0.00 0.00 43.02 40.49 2wet s PHE 222 CO 0.05 0.04 -0.05 0.08 -0.10 0.00 0.00 175.22 175.24 2wet s VAL 223 N -0.10 3.27 -0.53 -0.44 1.01 0.55 -1.17 120.40 122.98 2wet s VAL 223 Ca 0.00 -0.60 -0.24 0.00 0.00 0.00 0.00 61.98 61.14 2wet s VAL 223 Cb -0.13 -2.52 0.04 0.00 0.00 0.00 0.00 36.38 33.77 2wet s VAL 223 CO 0.03 0.38 0.91 -0.62 0.00 0.00 0.00 175.10 175.79 2wet s ASP 224 N 1.45 6.35 -0.28 3.32 -1.08 0.48 -1.29 116.67 125.62 2wet s ASP 224 Ca 0.05 -0.34 0.08 0.00 -0.52 0.00 0.00 52.55 51.81 2wet s ASP 224 Cb -0.15 -2.42 0.46 0.00 -1.46 0.00 0.00 42.92 39.35 2wet s ASP 224 CO -0.04 -1.17 1.19 0.00 0.52 0.00 0.00 175.17 175.68 2wet n THR 226 N -0.76 0.46 -4.28 0.00 -2.24 -1.18 -4.27 114.28 102.01 2wet n THR 226 Ca 0.40 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2wet n THR 226 Cb 0.93 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 2wet n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wet n GLY 227 N 1.10 -0.85 0.48 3.38 0.00 -1.26 -4.06 105.19 103.98 2wet n GLY 227 Ca 0.13 -1.18 0.30 0.00 0.00 0.00 0.00 46.02 45.27 2wet n GLY 227 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2wet h PHE 228 N 0.00 0.26 -0.87 1.61 0.04 -1.94 -0.59 116.94 115.46 2wet h PHE 228 Ca 0.00 0.01 0.22 0.00 2.80 0.00 0.00 57.97 61.00 2wet h PHE 228 Cb 0.00 -0.08 -0.13 0.00 2.20 0.00 0.00 35.95 37.94 2wet h PHE 228 CO 0.00 0.02 0.32 -0.09 -0.60 0.00 0.00 178.31 177.96 2wet h ARG 229 N 0.15 0.31 -6.37 1.51 2.43 -1.91 -3.46 114.38 107.04 2wet h ARG 229 Ca 0.57 -0.02 -0.47 0.00 -0.81 0.00 0.00 59.98 59.25 2wet h ARG 229 Cb 1.92 -0.07 0.05 0.00 -0.42 0.00 0.00 29.97 31.45 2wet h ARG 229 CO -0.13 0.20 -0.94 0.41 -1.51 0.00 0.00 179.97 178.00 2wet n GLY 230 N -1.35 -0.86 0.34 2.80 0.00 -0.26 -4.60 105.19 101.26 2wet n GLY 230 Ca 0.21 0.39 -0.06 0.00 0.00 0.00 0.00 46.02 46.57 2wet n GLY 230 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wet h LEU 231 N -2.01 1.08 0.00 0.99 5.85 -1.88 0.06 115.31 119.41 2wet h LEU 231 Ca -0.67 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 57.79 2wet h LEU 231 Cb 1.37 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2wet h LEU 231 CO 0.51 0.98 -0.60 -0.07 -0.34 0.00 0.00 178.44 178.92 2wet h LEU 232 N 1.13 0.00 -0.61 2.25 3.38 -1.94 -2.58 115.31 116.94 2wet h LEU 232 Ca 0.25 -0.33 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 2wet h LEU 232 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2wet h LEU 232 CO -0.02 1.00 -0.24 -0.29 0.09 0.00 0.00 178.44 178.98 2wet h ILE 233 N -1.00 1.27 0.00 1.22 6.09 -1.95 -0.29 117.51 122.86 2wet h ILE 233 Ca -0.12 -1.38 -0.39 0.00 -1.37 0.00 0.00 64.86 61.60 2wet h ILE 233 Cb 0.77 1.22 -0.06 0.00 0.47 0.00 0.00 36.82 39.22 2wet h ILE 233 CO -0.07 0.46 -2.32 0.59 -3.07 0.00 0.00 178.15 173.74 2wet n ASN 234 N -4.10 1.76 0.12 2.19 4.13 -0.33 -0.98 115.26 118.04 2wet n ASN 234 Ca -0.00 0.24 0.00 0.00 1.68 0.00 0.00 54.58 56.49 2wet n ASN 234 Cb 0.45 -0.65 -0.01 0.00 -1.54 0.00 0.00 39.78 38.03 2wet n ASN 234 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 2wet h GLN 235 N -0.74 0.00 0.00 3.52 4.20 -1.07 -2.93 115.11 118.09 2wet h GLN 235 Ca -0.59 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 57.67 2wet h GLN 235 Cb 1.56 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.27 2wet h GLN 235 CO -0.33 0.62 -2.47 2.41 -0.67 0.00 0.00 178.83 178.40 2wet n THR 236 N -3.25 1.53 1.13 -0.54 -1.04 -0.97 -4.69 114.28 106.45 2wet n THR 236 Ca 0.01 -0.37 0.13 0.00 -2.04 0.00 0.00 64.05 61.78 2wet n THR 236 Cb 0.79 -1.88 0.37 0.00 -1.82 0.00 0.00 70.33 67.79 2wet n THR 236 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2wet n LEU 237 N -4.23 0.64 -0.45 -4.42 4.77 -0.14 -4.94 117.00 108.22 2wet n LEU 237 Ca -0.53 -0.05 -0.06 0.00 -0.03 0.00 0.00 56.01 55.34 2wet n LEU 237 Cb 0.88 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.73 2wet n LEU 237 CO 0.05 0.13 -0.06 0.61 -1.33 0.00 0.00 177.39 176.80 2wet n GLY 238 N 1.42 0.83 3.70 -0.72 0.00 -1.11 -4.96 105.19 104.36 2wet n GLY 238 Ca 0.09 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 2wet n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wet n GLY 239 N -2.24 0.55 3.76 -0.02 0.00 -0.15 -4.96 105.19 102.13 2wet n GLY 239 Ca -0.06 0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2wet n GLY 239 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wet s ARG 240 N -2.18 4.12 -0.20 1.61 0.52 -1.26 -4.65 118.95 116.91 2wet s ARG 240 Ca 0.60 0.18 -0.09 0.00 -0.52 0.00 0.00 55.73 55.90 2wet s ARG 240 Cb -0.51 -3.36 -0.05 0.00 0.52 0.00 0.00 34.95 31.55 2wet s ARG 240 CO 0.58 0.38 0.11 0.12 0.02 0.00 0.00 175.30 176.51 2wet s PHE 241 N 0.02 3.34 -0.40 -0.53 5.36 -1.26 -0.91 117.98 123.60 2wet s PHE 241 Ca 0.19 0.22 -0.13 0.00 -0.96 0.00 0.00 56.93 56.25 2wet s PHE 241 Cb -0.14 -2.14 0.03 0.00 -0.34 0.00 0.00 43.02 40.43 2wet s PHE 241 CO 0.07 0.22 0.27 -1.14 -1.46 0.00 0.00 175.22 173.17 2wet s GLN 242 N 0.43 2.90 0.39 10.12 0.74 0.13 -4.94 119.66 129.42 2wet s GLN 242 Ca 0.06 -1.09 -0.25 0.00 0.05 0.00 0.00 55.36 54.13 2wet s GLN 242 Cb -0.12 -3.89 -0.09 0.00 1.10 0.00 0.00 33.01 30.02 2wet s GLN 242 CO -0.01 -0.76 1.13 0.45 -0.55 0.00 0.00 175.29 175.55 2wet s SER 243 N 1.71 6.67 -0.09 6.67 0.15 -1.26 -1.06 113.70 126.49 2wet s SER 243 Ca 0.04 2.25 0.15 0.00 0.70 0.00 0.00 55.95 59.09 2wet s SER 243 Cb -0.20 -2.61 0.53 0.00 -1.71 0.00 0.00 66.02 62.04 2wet s SER 243 CO 0.08 -0.56 1.45 0.49 1.20 0.00 0.00 173.24 175.90 2wet n PHE 244 N 0.16 0.98 0.30 3.44 3.72 -0.56 -4.70 117.46 120.80 2wet n PHE 244 Ca 0.04 -0.64 0.15 0.00 -0.05 0.00 0.00 57.45 56.95 2wet n PHE 244 Cb 0.47 -0.18 0.91 0.00 -0.94 0.00 0.00 39.48 39.75 2wet n PHE 244 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2wet h SER 245 N 2.82 0.00 0.19 4.37 0.02 -1.76 0.91 113.55 120.09 2wet h SER 245 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2wet h SER 245 Cb 1.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 2wet h SER 245 CO 0.14 0.01 -0.25 -2.24 -1.14 0.00 0.00 176.83 173.35 2wet h ASP 246 N 0.00 0.12 0.00 3.07 2.03 -1.98 -3.26 116.42 116.40 2wet h ASP 246 Ca -0.00 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.27 2wet h ASP 246 Cb 0.02 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.49 2wet h ASP 246 CO 0.00 0.37 -1.31 1.33 -1.03 0.00 0.00 179.24 178.61 2wet n VAL 247 N -4.20 0.00 -3.50 4.15 0.24 -0.70 -4.57 118.33 109.76 2wet n VAL 247 Ca -0.02 -0.20 -0.28 0.00 -2.04 0.00 0.00 64.34 61.80 2wet n VAL 247 Cb 0.33 0.36 -0.11 0.00 -1.47 0.00 0.00 33.84 32.95 2wet n VAL 247 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2wet s LEU 248 N -3.49 1.73 0.15 1.34 1.43 0.23 -4.91 118.68 115.16 2wet s LEU 248 Ca -0.03 -2.82 0.24 0.00 -1.03 0.00 0.00 54.13 50.49 2wet s LEU 248 Cb 0.05 -0.60 0.92 0.00 0.03 0.00 0.00 46.19 46.59 2wet s LEU 248 CO 0.35 -0.22 1.74 -0.81 0.23 0.00 0.00 176.35 177.64 2wet n PRO 249 N 3.20 0.15 -1.69 1.29 -0.04 -1.23 -4.13 135.00 132.56 2wet n PRO 249 Ca 0.21 0.24 -0.49 0.00 -0.04 0.00 0.00 63.50 63.41 2wet n PRO 249 Cb 0.42 -1.71 -0.05 0.00 -0.04 0.00 0.00 33.50 32.12 2wet n PRO 249 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wet n ASN 250 N -1.98 3.30 0.00 3.54 3.02 -1.26 -4.66 115.26 117.22 2wet n ASN 250 Ca 0.05 0.99 0.00 0.00 -0.03 0.00 0.00 54.58 55.58 2wet n ASN 250 Cb 0.31 -1.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.14 2wet n ASN 250 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2wet n ASN 251 N 6.39 0.53 -4.03 6.41 6.94 -0.45 -4.91 115.26 126.15 2wet n ASN 251 Ca 0.23 -0.95 -0.09 0.00 -0.02 0.00 0.00 54.58 53.75 2wet n ASN 251 Cb 0.27 0.04 -0.09 0.00 -2.36 0.00 0.00 39.78 37.65 2wet n ASN 251 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2wet s ARG 252 N -0.04 0.90 0.03 -3.83 0.52 -0.96 -0.77 118.95 114.81 2wet s ARG 252 Ca 0.00 -1.22 -0.06 0.00 -0.52 0.00 0.00 55.73 53.93 2wet s ARG 252 Cb 0.00 0.29 -0.01 0.00 0.52 0.00 0.00 34.95 35.75 2wet s ARG 252 CO 0.00 -0.27 0.11 0.00 0.02 0.00 0.00 175.30 175.16 2wet s ALA 253 N -3.96 -0.13 -0.08 2.13 0.00 -0.37 -1.52 121.76 117.83 2wet s ALA 253 Ca 0.15 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.65 2wet s ALA 253 Cb 0.06 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.44 2wet s ALA 253 CO -0.04 -0.31 -0.09 0.54 0.00 0.00 0.00 175.76 175.86 2wet s VAL 254 N -2.47 1.00 0.15 0.00 0.11 -0.50 -1.03 120.40 117.66 2wet s VAL 254 Ca -0.06 -0.36 0.11 0.00 -2.93 0.00 0.00 61.98 58.74 2wet s VAL 254 Cb -0.02 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.83 2wet s VAL 254 CO -0.04 0.34 -0.23 0.00 -3.33 0.00 0.00 175.10 171.83 2wet s ALA 255 N 1.04 2.51 0.05 1.54 0.00 0.30 -0.78 121.76 126.43 2wet s ALA 255 Ca -0.08 -1.49 -0.00 0.00 0.00 0.00 0.00 51.96 50.39 2wet s ALA 255 Cb -0.15 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 2wet s ALA 255 CO -0.01 0.52 -0.04 -0.51 0.00 0.00 0.00 175.76 175.72 2wet s LEU 256 N -2.28 2.43 -0.36 0.00 1.43 0.87 -0.63 118.68 120.14 2wet s LEU 256 Ca 0.17 -0.88 0.03 0.00 -1.03 0.00 0.00 54.13 52.42 2wet s LEU 256 Cb -0.09 0.10 0.10 0.00 0.03 0.00 0.00 46.19 46.33 2wet s LEU 256 CO 0.08 -0.49 0.08 -0.13 0.23 0.00 0.00 176.35 176.12 2wet s ARG 257 N -3.30 1.56 -0.27 1.70 0.52 -1.26 -1.86 118.95 116.04 2wet s ARG 257 Ca 0.03 -1.93 -0.07 0.00 -0.52 0.00 0.00 55.73 53.23 2wet s ARG 257 Cb 0.03 -3.25 -0.02 0.00 0.52 0.00 0.00 34.95 32.23 2wet s ARG 257 CO -0.07 -0.96 0.08 0.08 0.02 0.00 0.00 175.30 174.45 2wet s VAL 258 N 0.83 4.21 0.41 3.52 1.01 -0.83 -4.96 120.40 124.59 2wet s VAL 258 Ca 0.11 -0.35 -0.26 0.00 0.00 0.00 0.00 61.98 61.48 2wet s VAL 258 Cb -0.20 -3.04 -0.08 0.00 0.00 0.00 0.00 36.38 33.05 2wet s VAL 258 CO -0.07 0.24 1.27 -2.84 0.00 0.00 0.00 175.10 173.70 2wet s PRO 259 N 1.58 3.95 0.13 2.72 0.02 -1.26 0.07 135.00 142.20 2wet s PRO 259 Ca 0.05 2.07 -0.28 0.00 0.02 0.00 0.00 61.00 62.87 2wet s PRO 259 Cb -0.16 -2.71 -0.07 0.00 0.02 0.00 0.00 34.50 31.58 2wet s PRO 259 CO 0.03 -0.48 0.87 0.50 -0.33 0.00 0.00 177.00 177.60 2wet s ARG 260 N -2.28 4.65 0.25 5.54 3.52 -1.26 -4.80 118.95 124.56 2wet s ARG 260 Ca 0.58 1.31 -0.06 0.00 -0.13 0.00 0.00 55.73 57.42 2wet s ARG 260 Cb -0.36 -3.34 0.27 0.00 -1.56 0.00 0.00 34.95 29.96 2wet s ARG 260 CO 0.46 0.35 1.89 1.49 -0.81 0.00 0.00 175.30 178.68 2wet h GLU 261 N 5.13 1.24 -4.80 5.12 4.81 -1.98 -3.37 114.58 120.74 2wet h GLU 261 Ca -0.44 -0.12 -0.67 0.00 -0.13 0.00 0.00 59.36 58.01 2wet h GLU 261 Cb 1.21 -0.26 -0.38 0.00 0.63 0.00 0.00 28.75 29.95 2wet h GLU 261 CO 0.70 0.87 -0.78 1.21 -0.73 0.00 0.00 179.01 180.28 2wet s ASN 262 N -6.23 4.51 0.29 1.04 3.84 -1.26 -5.00 114.94 112.13 2wet s ASN 262 Ca -0.12 -1.59 -0.02 0.00 0.21 0.00 0.00 52.86 51.33 2wet s ASN 262 Cb 0.17 -1.55 0.41 0.00 -0.55 0.00 0.00 41.25 39.73 2wet s ASN 262 CO 0.82 -0.24 1.94 0.44 -2.79 0.00 0.00 177.10 177.27 2wet h ASP 263 N 7.74 0.95 -0.11 -4.21 5.19 -1.94 -2.23 116.42 121.80 2wet h ASP 263 Ca -0.15 -0.05 0.03 0.00 -0.62 0.00 0.00 57.03 56.24 2wet h ASP 263 Cb 1.04 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 40.30 2wet h ASP 263 CO 0.47 0.72 0.16 -0.33 -3.12 0.00 0.00 179.24 177.15 2wet h GLU 264 N 1.09 0.00 -4.72 3.56 3.07 -1.94 -3.34 114.58 112.30 2wet h GLU 264 Ca 0.29 0.00 -0.73 0.00 -0.50 0.00 0.00 59.36 58.41 2wet h GLU 264 Cb -0.06 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 27.69 2wet h GLU 264 CO -0.06 0.00 1.54 -3.47 -1.40 0.00 0.00 179.01 175.62 2wet n ASP 265 N -3.58 5.17 -4.08 1.42 -0.08 -0.84 -4.61 116.55 109.95 2wet n ASP 265 Ca -0.00 -2.99 -0.32 0.00 -1.51 0.00 0.00 54.79 49.98 2wet n ASP 265 Cb 0.26 -1.58 -0.16 0.00 2.34 0.00 0.00 41.12 41.98 2wet n ASP 265 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 2wet s MET 266 N 1.71 2.71 -0.02 -0.67 1.75 -1.26 -4.96 119.30 118.56 2wet s MET 266 Ca 0.44 -0.72 -0.24 0.00 -1.25 0.00 0.00 55.69 53.92 2wet s MET 266 Cb -0.01 -2.38 -0.04 0.00 2.84 0.00 0.00 34.83 35.24 2wet s MET 266 CO 0.01 -0.22 0.72 1.03 -0.65 0.00 0.00 175.02 175.91 2wet s ARG 267 N 1.36 4.45 -0.12 4.11 0.52 -1.26 -4.51 118.95 123.49 2wet s ARG 267 Ca 0.05 0.95 -0.03 0.00 -0.52 0.00 0.00 55.73 56.18 2wet s ARG 267 Cb -0.13 -3.40 -0.06 0.00 0.52 0.00 0.00 34.95 31.87 2wet s ARG 267 CO -0.12 0.18 2.78 -0.35 0.02 0.00 0.00 175.30 177.81 2wet n PRO 268 N 3.30 1.75 -3.51 3.54 -0.04 -1.26 -4.66 135.00 134.12 2wet n PRO 268 Ca -0.02 -1.03 -0.10 0.00 -0.04 0.00 0.00 63.50 62.31 2wet n PRO 268 Cb 0.51 -1.68 -0.03 0.00 -0.04 0.00 0.00 33.50 32.26 2wet n PRO 268 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2wet s TYR 269 N -0.17 -0.41 0.29 0.54 -0.85 -1.20 0.09 117.35 115.64 2wet s TYR 269 Ca 0.41 0.43 -0.21 0.00 -0.52 0.00 0.00 57.07 57.18 2wet s TYR 269 Cb 0.23 0.51 -0.09 0.00 0.38 0.00 0.00 41.96 42.98 2wet s TYR 269 CO -0.04 -0.54 0.81 0.99 -1.52 0.00 0.00 175.55 175.25 2wet s THR 270 N -2.51 4.46 -0.16 -3.49 2.01 -0.99 -4.51 115.64 110.45 2wet s THR 270 Ca 0.01 1.42 -0.03 0.00 0.31 0.00 0.00 61.69 63.40 2wet s THR 270 Cb -0.01 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 2wet s THR 270 CO -0.05 0.08 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.03 2wet s THR 271 N -1.68 3.83 -0.34 -0.82 2.01 -0.42 -0.68 115.64 117.56 2wet s THR 271 Ca 0.48 -0.38 -0.05 0.00 0.31 0.00 0.00 61.69 62.06 2wet s THR 271 Cb -0.16 -2.68 0.05 0.00 0.01 0.00 0.00 72.50 69.72 2wet s THR 271 CO 0.21 0.49 0.09 0.00 -0.69 0.00 0.00 174.62 174.72 2wet s ALA 272 N 0.40 3.00 -0.22 7.40 0.00 0.68 -1.06 121.76 131.96 2wet s ALA 272 Ca -0.04 -1.82 -0.06 0.00 0.00 0.00 0.00 51.96 50.04 2wet s ALA 272 Cb -0.14 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.74 2wet s ALA 272 CO 0.03 -1.36 0.03 0.99 0.00 0.00 0.00 175.76 175.45 2wet s THR 273 N 1.35 4.13 0.12 0.00 2.01 -0.23 -0.82 115.64 122.20 2wet s THR 273 Ca -0.02 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.43 2wet s THR 273 Cb -0.20 -2.89 -0.07 0.00 0.01 0.00 0.00 72.50 69.35 2wet s THR 273 CO 0.01 0.40 1.25 0.00 -0.69 0.00 0.00 174.62 175.59 2wet s ALA 274 N 1.21 3.46 0.00 7.40 0.00 0.14 -0.43 121.76 133.54 2wet s ALA 274 Ca 0.04 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.96 2wet s ALA 274 Cb -0.14 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2wet s ALA 274 CO 0.02 -0.46 0.00 -1.33 0.00 0.00 0.00 175.76 173.99 2wet n MET 275 N 3.42 1.99 0.19 0.00 2.81 0.06 -4.85 117.12 120.75 2wet n MET 275 Ca 0.08 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 56.04 2wet n MET 275 Cb 0.45 0.00 0.26 0.00 -0.71 0.00 0.00 33.22 33.21 2wet n MET 275 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2wet h SER 276 N 0.00 0.00 -0.17 7.83 4.64 -1.99 -3.34 113.55 120.52 2wet h SER 276 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 2wet h SER 276 Cb 0.00 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 61.78 2wet h SER 276 CO 0.00 0.31 -0.80 0.00 -0.87 0.00 0.00 176.83 175.47 2wet n ALA 277 N -2.21 2.76 0.00 5.18 0.00 -1.26 -4.58 120.51 120.40 2wet n ALA 277 Ca 0.01 -1.98 0.00 0.00 0.00 0.00 0.00 53.44 51.47 2wet n ALA 277 Cb 0.56 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.25 2wet n ALA 277 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wet n GLY 278 N -0.46 -0.43 3.37 0.00 0.00 -1.25 -3.15 105.19 103.26 2wet n GLY 278 Ca -0.04 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 2wet n GLY 278 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2wet s TRP 279 N -4.00 -0.01 -0.05 1.61 1.48 -0.37 -0.76 118.94 116.84 2wet s TRP 279 Ca 0.00 -0.34 0.04 0.00 -1.06 0.00 0.00 56.10 54.74 2wet s TRP 279 Cb 0.00 0.20 -0.00 0.00 -1.16 0.00 0.00 33.47 32.51 2wet s TRP 279 CO 0.00 -0.76 -0.17 1.41 -4.06 0.00 0.00 176.95 173.38 2wet s MET 280 N -3.87 1.76 -0.00 3.25 -2.45 0.42 -0.05 119.30 118.36 2wet s MET 280 Ca 0.08 -0.59 -0.07 0.00 -1.25 0.00 0.00 55.69 53.87 2wet s MET 280 Cb 0.02 -1.52 -0.05 0.00 1.25 0.00 0.00 34.83 34.52 2wet s MET 280 CO -0.06 0.22 0.26 1.67 1.05 0.00 0.00 175.02 178.16 2wet s TRP 281 N 0.09 3.59 -0.13 4.11 -2.14 0.16 -1.06 118.94 123.56 2wet s TRP 281 Ca -0.05 0.59 0.00 0.00 2.66 0.00 0.00 56.10 59.30 2wet s TRP 281 Cb -0.12 -2.00 0.02 0.00 -3.10 0.00 0.00 33.47 28.28 2wet s TRP 281 CO 0.02 0.62 -0.12 0.99 -2.66 0.00 0.00 176.95 175.81 2wet s THR 282 N -1.27 1.34 -0.30 0.66 2.01 -0.23 -2.55 115.64 115.30 2wet s THR 282 Ca 0.26 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.79 2wet s THR 282 Cb -0.13 -1.28 0.08 0.00 0.01 0.00 0.00 72.50 71.18 2wet s THR 282 CO 0.15 0.42 0.01 -0.63 -0.69 0.00 0.00 174.62 173.88 2wet s ILE 283 N 1.52 1.78 -0.18 1.82 1.01 0.38 -1.30 121.20 126.23 2wet s ILE 283 Ca 0.04 -1.77 -0.29 0.00 0.00 0.00 0.00 60.65 58.62 2wet s ILE 283 Cb -0.13 -2.20 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 2wet s ILE 283 CO -0.09 -0.41 1.29 -2.84 0.00 0.00 0.00 174.94 172.89 2wet s PRO 284 N 1.20 4.17 0.58 2.79 0.02 -1.26 -0.15 135.00 142.35 2wet s PRO 284 Ca 0.04 1.62 0.09 0.00 0.02 0.00 0.00 61.00 62.77 2wet s PRO 284 Cb -0.19 -3.80 0.08 0.00 0.02 0.00 0.00 34.50 30.62 2wet s PRO 284 CO -0.11 -0.79 0.73 -0.51 -0.33 0.00 0.00 177.00 176.00 2wet s LEU 285 N 3.70 2.98 0.20 -5.54 1.43 0.15 -4.47 118.68 117.12 2wet s LEU 285 Ca 0.56 -0.96 -0.09 0.00 -1.03 0.00 0.00 54.13 52.62 2wet s LEU 285 Cb -0.21 -1.47 0.11 0.00 0.03 0.00 0.00 46.19 44.64 2wet s LEU 285 CO 0.17 -1.34 1.71 0.15 0.23 0.00 0.00 176.35 177.26 2wet h PHE 286 N 0.25 1.19 0.00 0.29 3.04 -1.40 -3.30 116.94 117.01 2wet h PHE 286 Ca -0.30 -0.15 -0.04 0.00 3.98 0.00 0.00 57.97 61.46 2wet h PHE 286 Cb 1.29 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 39.46 2wet h PHE 286 CO 0.55 0.97 -1.95 1.63 -2.02 0.00 0.00 178.31 177.49 2wet n LYS 287 N -4.23 0.65 -3.85 1.11 5.02 -1.26 -4.98 118.16 110.61 2wet n LYS 287 Ca 0.05 -0.16 -0.08 0.00 -2.02 0.00 0.00 58.31 56.10 2wet n LYS 287 Cb 0.27 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.80 2wet n LYS 287 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2wet s ARG 288 N -3.26 1.95 0.14 1.97 1.70 -1.25 -4.39 118.95 115.82 2wet s ARG 288 Ca -0.07 -1.20 0.01 0.00 -0.47 0.00 0.00 55.73 54.00 2wet s ARG 288 Cb 0.12 0.60 -0.04 0.00 -0.57 0.00 0.00 34.95 35.06 2wet s ARG 288 CO 0.81 -0.90 0.29 -0.51 -1.08 0.00 0.00 175.30 173.92 2wet s ASP 289 N -2.99 6.36 -0.10 -2.89 1.01 0.11 0.29 116.67 118.46 2wet s ASP 289 Ca 0.14 0.25 -0.02 0.00 0.71 0.00 0.00 52.55 53.63 2wet s ASP 289 Cb -0.05 -1.95 -0.03 0.00 1.01 0.00 0.00 42.92 41.90 2wet s ASP 289 CO 0.09 0.06 -0.02 -0.83 0.21 0.00 0.00 175.17 174.68 2wet s GLY 290 N -3.05 1.78 0.01 0.21 0.00 0.78 -1.97 107.32 105.10 2wet s GLY 290 Ca 0.36 -0.83 0.01 0.00 0.00 0.00 0.00 44.72 44.25 2wet s GLY 290 CO 0.28 -0.45 -0.03 -1.31 0.00 0.00 0.00 173.10 171.60 2wet s ASN 291 N -0.52 0.27 -0.03 1.64 0.01 -0.78 -0.47 114.94 115.07 2wet s ASN 291 Ca 0.08 -0.23 -0.29 0.00 -0.71 0.00 0.00 52.86 51.71 2wet s ASN 291 Cb -0.12 0.02 0.09 0.00 0.41 0.00 0.00 41.25 41.66 2wet s ASN 291 CO 0.02 -0.11 0.78 -0.83 -1.51 0.00 0.00 177.10 175.46 2wet s GLY 292 N -0.65 -0.49 -0.21 0.66 0.00 -1.06 -0.09 107.32 105.48 2wet s GLY 292 Ca -0.06 1.27 -0.01 0.00 0.00 0.00 0.00 44.72 45.92 2wet s GLY 292 CO -0.00 0.70 -0.11 -0.47 0.00 0.00 0.00 173.10 173.22 2wet s TYR 293 N -2.04 2.93 -0.20 1.90 6.14 0.04 -0.66 117.35 125.46 2wet s TYR 293 Ca -0.03 -1.43 -0.14 0.00 0.64 0.00 0.00 57.07 56.11 2wet s TYR 293 Cb -0.00 -2.01 -0.04 0.00 0.42 0.00 0.00 41.96 40.32 2wet s TYR 293 CO -0.00 -0.71 0.30 0.08 0.64 0.00 0.00 175.55 175.86 2wet s VAL 294 N 1.35 5.27 0.25 3.14 1.01 0.92 -1.41 120.40 130.94 2wet s VAL 294 Ca 0.04 0.51 -0.07 0.00 0.00 0.00 0.00 61.98 62.45 2wet s VAL 294 Cb -0.15 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 2wet s VAL 294 CO -0.08 0.31 0.38 -0.72 0.00 0.00 0.00 175.10 174.99 2wet s TYR 295 N 1.05 0.73 -0.18 5.22 -0.85 -0.58 -1.24 117.35 121.52 2wet s TYR 295 Ca 0.15 -1.03 -0.04 0.00 -0.52 0.00 0.00 57.07 55.63 2wet s TYR 295 Cb -0.14 -0.08 -0.02 0.00 0.38 0.00 0.00 41.96 42.10 2wet s TYR 295 CO 0.06 -0.92 -0.03 0.45 -1.52 0.00 0.00 175.55 173.58 2wet s SER 296 N -3.10 4.72 0.00 -0.18 0.15 -1.19 -1.34 113.70 112.75 2wet s SER 296 Ca 0.29 -0.19 0.19 0.00 0.70 0.00 0.00 55.95 56.94 2wet s SER 296 Cb 0.02 -1.78 0.97 0.00 -1.71 0.00 0.00 66.02 63.51 2wet s SER 296 CO 0.12 0.12 1.60 -0.90 1.20 0.00 0.00 173.24 175.38 2wet n ASP 297 N 3.89 0.00 0.20 5.45 5.68 -1.26 -1.60 116.55 128.92 2wet n ASP 297 Ca -0.17 0.04 0.06 0.00 -0.50 0.00 0.00 54.79 54.22 2wet n ASP 297 Cb 0.52 -0.30 0.42 0.00 -1.14 0.00 0.00 41.12 40.62 2wet n ASP 297 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2wet h GLU 298 N 0.00 0.00 0.00 0.11 4.81 -1.94 -3.35 114.58 114.21 2wet h GLU 298 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2wet h GLU 298 Cb 0.19 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2wet h GLU 298 CO 0.00 0.33 -1.68 1.19 -0.73 0.00 0.00 179.01 178.12 2wet n PHE 299 N -3.70 0.00 -3.75 0.92 3.72 -0.63 -5.01 117.46 109.01 2wet n PHE 299 Ca -0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.26 2wet n PHE 299 Cb 0.43 -0.37 -0.10 0.00 -0.94 0.00 0.00 39.48 38.50 2wet n PHE 299 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 2wet s ILE 300 N -2.84 0.02 0.62 4.37 2.07 -1.04 -5.01 121.20 119.40 2wet s ILE 300 Ca -0.05 -0.13 -0.10 0.00 -1.41 0.00 0.00 60.65 58.95 2wet s ILE 300 Cb 0.08 -0.53 -0.03 0.00 0.13 0.00 0.00 42.46 42.11 2wet s ILE 300 CO 0.56 -0.07 1.02 -0.94 -1.91 0.00 0.00 174.94 173.60 2wet s SER 301 N -0.24 6.08 0.35 4.50 1.04 -1.26 -4.01 113.70 120.16 2wet s SER 301 Ca -0.04 1.31 0.07 0.00 0.48 0.00 0.00 55.95 57.77 2wet s SER 301 Cb -0.03 -2.34 0.75 0.00 0.10 0.00 0.00 66.02 64.50 2wet s SER 301 CO 0.02 -0.93 1.91 -0.65 0.98 0.00 0.00 173.24 174.56 2wet h PRO 302 N -0.33 0.74 0.06 4.02 0.11 -1.97 -1.57 132.00 133.07 2wet h PRO 302 Ca -0.44 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 65.38 2wet h PRO 302 Cb 1.20 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2wet h PRO 302 CO 0.62 0.49 -1.07 1.05 -0.21 0.00 0.00 178.00 178.88 2wet h GLU 303 N 0.77 0.23 -0.65 1.05 9.09 -1.99 -1.81 114.58 121.26 2wet h GLU 303 Ca 0.39 -0.32 0.05 0.00 0.05 0.00 0.00 59.36 59.52 2wet h GLU 303 Cb 0.47 0.11 -0.05 0.00 -1.65 0.00 0.00 28.75 27.64 2wet h GLU 303 CO -0.16 1.10 0.38 0.93 0.05 0.00 0.00 179.01 181.31 2wet h GLU 304 N 0.09 0.70 -0.40 1.06 5.08 -1.89 0.20 114.58 119.42 2wet h GLU 304 Ca -0.08 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 2wet h GLU 304 Cb 1.77 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.84 2wet h GLU 304 CO 0.17 0.46 0.13 0.00 -1.00 0.00 0.00 179.01 178.78 2wet h ALA 305 N 1.32 0.52 -0.64 3.43 0.00 -1.28 0.92 119.26 123.53 2wet h ALA 305 Ca 0.28 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2wet h ALA 305 Cb 0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2wet h ALA 305 CO -0.15 0.15 0.39 1.49 0.00 0.00 0.00 179.25 181.13 2wet h GLU 306 N 0.50 0.86 -0.71 0.00 4.81 -1.04 -0.11 114.58 118.89 2wet h GLU 306 Ca 0.13 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2wet h GLU 306 Cb 0.24 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 2wet h GLU 306 CO -0.01 0.61 0.31 0.00 -0.73 0.00 0.00 179.01 179.19 2wet h ARG 307 N 0.86 1.04 -0.59 1.92 3.08 -0.31 -0.81 114.38 119.59 2wet h ARG 307 Ca 0.23 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 2wet h ARG 307 Cb -0.03 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 2wet h ARG 307 CO -0.04 0.84 -0.02 1.49 -1.07 0.00 0.00 179.97 181.17 2wet h GLU 308 N 1.00 1.03 0.53 0.04 4.81 -0.52 -2.12 114.58 119.35 2wet h GLU 308 Ca 0.24 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 2wet h GLU 308 Cb 0.17 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.46 2wet h GLU 308 CO -0.02 1.02 -0.25 1.25 -0.73 0.00 0.00 179.01 180.27 2wet h LEU 309 N 0.94 -0.60 -0.85 1.64 5.85 -0.77 -2.97 115.31 118.54 2wet h LEU 309 Ca 0.17 -0.05 0.16 0.00 0.84 0.00 0.00 57.88 58.99 2wet h LEU 309 Cb 0.57 0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.65 2wet h LEU 309 CO 0.03 -0.28 0.43 0.03 -0.34 0.00 0.00 178.44 178.31 2wet h ARG 310 N -0.94 0.57 -0.10 1.25 3.08 -1.17 -0.75 114.38 116.33 2wet h ARG 310 Ca -0.07 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 2wet h ARG 310 Cb 0.62 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 2wet h ARG 310 CO 0.12 0.38 -0.09 0.77 -1.07 0.00 0.00 179.97 180.08 2wet h SER 311 N 0.59 0.13 0.12 7.04 0.02 -1.40 0.25 113.55 120.29 2wet h SER 311 Ca 0.47 -0.02 -0.30 0.00 -0.84 0.00 0.00 61.79 61.10 2wet h SER 311 Cb 0.70 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 2wet h SER 311 CO -0.38 0.25 -1.56 0.74 -1.14 0.00 0.00 176.83 174.73 2wet h THR 312 N 0.14 0.92 0.00 -2.27 2.02 -1.01 -3.40 112.91 109.31 2wet h THR 312 Ca 0.03 -2.38 0.00 0.00 0.77 0.00 0.00 66.41 64.83 2wet h THR 312 Cb 0.26 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 2wet h THR 312 CO 0.01 0.73 -0.68 1.33 0.37 0.00 0.00 175.52 177.29 2wet n VAL 313 N -3.84 0.00 -2.72 3.16 0.24 -0.63 -4.84 118.33 109.71 2wet n VAL 313 Ca -0.27 -0.24 -0.09 0.00 -2.04 0.00 0.00 64.34 61.70 2wet n VAL 313 Cb 0.93 0.69 0.05 0.00 -1.47 0.00 0.00 33.84 34.05 2wet n VAL 313 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wet n ALA 314 N -1.36 2.66 -1.59 2.33 0.00 -0.02 -5.06 120.51 117.47 2wet n ALA 314 Ca -0.00 -2.67 -0.51 0.00 0.00 0.00 0.00 53.44 50.26 2wet n ALA 314 Cb 0.06 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.50 2wet n ALA 314 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wet n PRO 315 N -0.15 1.21 -0.85 0.00 -0.02 -0.65 -2.05 135.00 132.49 2wet n PRO 315 Ca 0.07 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2wet n PRO 315 Cb 0.81 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 2wet n PRO 315 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wet n GLY 316 N 2.53 0.88 2.77 -1.23 0.00 -1.26 -4.92 105.19 103.96 2wet n GLY 316 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2wet n GLY 316 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wet n ARG 317 N -2.00 4.83 0.02 1.61 1.74 -0.87 -4.77 116.66 117.22 2wet n ARG 317 Ca 0.00 -4.36 0.11 0.00 -0.77 0.00 0.00 57.85 52.83 2wet n ARG 317 Cb 0.00 -2.55 0.47 0.00 -1.02 0.00 0.00 32.46 29.36 2wet n ARG 317 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2wet n ASP 318 N 1.04 0.15 0.23 0.55 8.00 -1.26 -2.18 116.55 123.07 2wet n ASP 318 Ca 0.41 0.52 0.16 0.00 0.71 0.00 0.00 54.79 56.59 2wet n ASP 318 Cb 0.29 -0.56 0.73 0.00 -0.02 0.00 0.00 41.12 41.56 2wet n ASP 318 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 2wet h ASP 319 N 0.00 0.00 -3.39 -2.24 2.03 -1.99 -3.43 116.42 107.40 2wet h ASP 319 Ca 0.00 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 55.70 2wet h ASP 319 Cb 0.42 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 38.83 2wet h ASP 319 CO 0.00 0.00 0.43 -0.76 -1.03 0.00 0.00 179.24 177.88 2wet s LEU 320 N -5.34 4.07 0.07 0.15 1.43 -0.93 -5.02 118.68 113.13 2wet s LEU 320 Ca -0.00 0.77 -0.30 0.00 -1.03 0.00 0.00 54.13 53.57 2wet s LEU 320 Cb 0.09 -3.12 -0.05 0.00 0.03 0.00 0.00 46.19 43.14 2wet s LEU 320 CO 0.40 -0.60 1.07 -0.70 0.23 0.00 0.00 176.35 176.74 2wet s GLU 321 N 2.96 4.55 0.06 1.70 2.12 -1.26 -5.02 118.70 123.81 2wet s GLU 321 Ca 0.34 1.59 -0.19 0.00 0.36 0.00 0.00 54.97 57.06 2wet s GLU 321 Cb -0.14 -3.38 -0.06 0.00 0.26 0.00 0.00 34.13 30.81 2wet s GLU 321 CO 0.11 -0.05 0.56 0.00 -0.54 0.00 0.00 175.26 175.35 2wet s ALA 322 N 0.62 3.58 -0.33 6.30 0.00 -1.26 -4.64 121.76 126.03 2wet s ALA 322 Ca 0.53 0.01 -0.08 0.00 0.00 0.00 0.00 51.96 52.43 2wet s ALA 322 Cb -0.26 -2.63 0.02 0.00 0.00 0.00 0.00 23.12 20.25 2wet s ALA 322 CO 0.30 0.37 0.12 1.21 0.00 0.00 0.00 175.76 177.76 2wet s ASN 323 N -0.97 5.33 -0.16 0.00 2.47 0.20 -4.94 114.94 116.86 2wet s ASN 323 Ca 0.29 -0.90 -0.16 0.00 0.42 0.00 0.00 52.86 52.51 2wet s ASN 323 Cb -0.19 -1.91 -0.04 0.00 -1.45 0.00 0.00 41.25 37.66 2wet s ASN 323 CO 0.18 -0.27 0.41 -1.00 -3.72 0.00 0.00 177.10 172.70 2wet s HIS 324 N 1.48 3.45 -0.08 0.43 3.76 -1.26 -0.54 115.29 122.53 2wet s HIS 324 Ca 0.01 0.73 0.03 0.00 -0.15 0.00 0.00 55.06 55.68 2wet s HIS 324 Cb -0.18 -2.50 0.01 0.00 1.11 0.00 0.00 32.58 31.01 2wet s HIS 324 CO 0.04 0.12 -0.15 0.42 -0.85 0.00 0.00 174.74 174.31 2wet s ILE 325 N 0.85 1.39 -0.21 0.60 1.01 -0.20 -5.02 121.20 119.62 2wet s ILE 325 Ca 0.22 -0.62 -0.20 0.00 0.00 0.00 0.00 60.65 60.05 2wet s ILE 325 Cb -0.14 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 2wet s ILE 325 CO 0.08 0.41 0.59 -1.10 0.00 0.00 0.00 174.94 174.92 2wet s GLN 326 N 0.62 4.19 -0.09 2.79 -0.21 -1.26 -1.23 119.66 124.48 2wet s GLN 326 Ca -0.15 0.54 -0.09 0.00 0.02 0.00 0.00 55.36 55.68 2wet s GLN 326 Cb -0.16 -3.58 -0.05 0.00 1.00 0.00 0.00 33.01 30.22 2wet s GLN 326 CO 0.04 -0.23 0.22 -1.64 -2.12 0.00 0.00 175.29 171.57 2wet s MET 327 N 1.90 3.61 -0.50 2.91 -1.94 0.05 -5.00 119.30 120.33 2wet s MET 327 Ca 0.27 0.04 -0.15 0.00 -1.71 0.00 0.00 55.69 54.14 2wet s MET 327 Cb -0.16 -3.21 0.10 0.00 2.01 0.00 0.00 34.83 33.58 2wet s MET 327 CO 0.10 0.74 0.43 0.50 -0.01 0.00 0.00 175.02 176.77 2wet s ARG 328 N -1.00 2.90 -0.30 2.03 3.52 -1.26 -4.80 118.95 120.04 2wet s ARG 328 Ca 0.18 -1.57 -0.11 0.00 -0.13 0.00 0.00 55.73 54.10 2wet s ARG 328 Cb -0.13 -4.16 -0.04 0.00 -1.56 0.00 0.00 34.95 29.06 2wet s ARG 328 CO 0.07 -1.18 0.20 0.42 -0.81 0.00 0.00 175.30 174.01 2wet s ILE 329 N 1.58 5.30 -5.00 4.11 -1.09 -1.26 -4.23 121.20 120.60 2wet s ILE 329 Ca 0.04 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 2wet s ILE 329 Cb -0.27 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 2wet s ILE 329 CO 0.04 0.18 0.00 0.61 -1.23 0.00 0.00 174.94 174.54 2wet n GLY 330 N 5.07 0.33 3.27 6.18 0.00 0.08 -1.50 105.19 118.63 2wet n GLY 330 Ca -0.14 -1.37 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 2wet n GLY 330 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wet s ARG 331 N -2.00 0.80 0.39 1.61 1.70 -0.23 -0.56 118.95 120.67 2wet s ARG 331 Ca 0.00 -0.35 -0.27 0.00 -0.47 0.00 0.00 55.73 54.64 2wet s ARG 331 Cb 0.00 0.35 -0.10 0.00 -0.57 0.00 0.00 34.95 34.64 2wet s ARG 331 CO 0.00 -0.25 1.42 -0.80 -1.08 0.00 0.00 175.30 174.59 2wet s ASN 332 N -1.80 6.27 0.23 -2.89 0.01 0.18 0.19 114.94 117.13 2wet s ASN 332 Ca -0.08 2.92 -0.06 0.00 -0.71 0.00 0.00 52.86 54.93 2wet s ASN 332 Cb -0.02 -2.66 0.36 0.00 0.41 0.00 0.00 41.25 39.34 2wet s ASN 332 CO -0.00 -0.90 1.77 -0.33 -1.51 0.00 0.00 177.10 176.12 2wet h GLU 333 N 2.83 0.57 -4.11 -0.60 4.39 -1.37 -3.41 114.58 112.89 2wet h GLU 333 Ca -0.50 -0.03 -0.43 0.00 0.34 0.00 0.00 59.36 58.74 2wet h GLU 333 Cb 1.25 -0.13 -0.34 0.00 -0.10 0.00 0.00 28.75 29.43 2wet h GLU 333 CO 0.63 0.38 -0.78 1.03 -1.16 0.00 0.00 179.01 179.11 2wet s ARG 334 N -6.05 0.97 0.05 2.33 0.52 -1.26 -4.90 118.95 110.61 2wet s ARG 334 Ca -0.13 -0.16 0.23 0.00 -0.52 0.00 0.00 55.73 55.16 2wet s ARG 334 Cb 0.19 -0.93 0.14 0.00 0.52 0.00 0.00 34.95 34.86 2wet s ARG 334 CO 0.76 -0.06 1.11 0.25 0.02 0.00 0.00 175.30 177.38 2wet n THR 335 N 4.00 0.17 -4.01 0.02 -2.24 -1.26 -4.71 114.28 106.26 2wet n THR 335 Ca -0.25 -0.21 -0.34 0.00 -2.27 0.00 0.00 64.05 60.99 2wet n THR 335 Cb 0.51 0.20 -0.15 0.00 -2.10 0.00 0.00 70.33 68.79 2wet n THR 335 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2wet s TRP 336 N -3.16 3.13 -0.08 4.78 -0.11 -1.26 0.31 118.94 122.55 2wet s TRP 336 Ca 0.05 -1.87 0.01 0.00 1.22 0.00 0.00 56.10 55.51 2wet s TRP 336 Cb 0.15 -2.01 0.02 0.00 -1.50 0.00 0.00 33.47 30.13 2wet s TRP 336 CO 0.78 -0.80 -0.09 0.42 -4.62 0.00 0.00 176.95 172.64 2wet s ILE 337 N 1.24 1.00 0.00 5.86 1.01 0.08 -4.97 121.20 125.41 2wet s ILE 337 Ca -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.28 2wet s ILE 337 Cb -0.18 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.32 2wet s ILE 337 CO -0.05 0.34 0.00 0.59 0.00 0.00 0.00 174.94 175.82 2wet n ASN 338 N 4.33 0.00 -2.18 3.58 3.02 -1.26 -0.99 115.26 121.76 2wet n ASN 338 Ca -0.18 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.14 2wet n ASN 338 Cb 0.51 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.86 2wet n ASN 338 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2wet n ASN 339 N 5.25 3.75 -4.00 6.41 6.94 -1.26 -4.92 115.26 127.43 2wet n ASN 339 Ca 0.00 -3.60 -0.25 0.00 -0.02 0.00 0.00 54.58 50.71 2wet n ASN 339 Cb 0.00 -0.83 -0.17 0.00 -2.36 0.00 0.00 39.78 36.42 2wet n ASN 339 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2wet s VAL 341 N 0.88 2.26 0.02 0.00 1.01 -0.32 -0.74 120.40 123.52 2wet s VAL 341 Ca -0.10 -0.90 -0.26 0.00 0.00 0.00 0.00 61.98 60.72 2wet s VAL 341 Cb -0.15 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 2wet s VAL 341 CO 0.01 0.53 0.80 0.00 0.00 0.00 0.00 175.10 176.44 2wet s ALA 342 N 0.97 3.33 -0.04 5.51 0.00 0.15 -0.39 121.76 131.29 2wet s ALA 342 Ca -0.03 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.27 2wet s ALA 342 Cb -0.15 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 19.93 2wet s ALA 342 CO -0.05 -0.01 -0.10 0.08 0.00 0.00 0.00 175.76 175.69 2wet s VAL 343 N 0.25 0.90 0.00 0.00 1.01 -0.51 -4.62 120.40 117.43 2wet s VAL 343 Ca 0.41 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.01 2wet s VAL 343 Cb -0.20 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.35 2wet s VAL 343 CO 0.23 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.23 2wet n GLY 344 N 3.63 0.13 0.25 4.51 0.00 -1.26 -4.35 105.19 108.10 2wet n GLY 344 Ca -0.22 -1.49 0.10 0.00 0.00 0.00 0.00 46.02 44.41 2wet n GLY 344 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wet h LEU 345 N 0.00 0.00 -1.76 0.99 3.38 -1.86 -0.12 115.31 115.94 2wet h LEU 345 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2wet h LEU 345 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2wet h LEU 345 CO 0.00 0.16 -0.05 0.77 0.09 0.00 0.00 178.44 179.41 2wet h SER 346 N 0.00 0.07 0.05 -0.43 4.64 -1.67 -3.25 113.55 112.95 2wet h SER 346 Ca -0.00 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2wet h SER 346 Cb 0.37 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.44 2wet h SER 346 CO 0.02 0.14 -0.30 0.00 -0.87 0.00 0.00 176.83 175.83 2wet h ALA 347 N 1.87 -0.02 -1.62 5.18 0.00 -1.26 -3.44 119.26 119.95 2wet h ALA 347 Ca 0.02 -0.58 0.23 0.00 0.00 0.00 0.00 54.91 54.57 2wet h ALA 347 Cb 0.15 0.05 -0.18 0.00 0.00 0.00 0.00 17.79 17.81 2wet h ALA 347 CO 0.01 0.14 0.75 0.00 0.00 0.00 0.00 179.25 180.15 2wet s ALA 348 N -2.29 -2.03 -0.28 0.00 0.00 -1.08 -0.65 121.76 115.43 2wet s ALA 348 Ca -0.18 1.49 -0.24 0.00 0.00 0.00 0.00 51.96 53.04 2wet s ALA 348 Cb -0.02 -0.03 0.11 0.00 0.00 0.00 0.00 23.12 23.19 2wet s ALA 348 CO 0.73 -0.61 0.94 0.12 0.00 0.00 0.00 175.76 176.94 2wet s PHE 349 N -2.53 -0.59 0.19 0.00 5.36 0.28 -4.22 117.98 116.46 2wet s PHE 349 Ca 0.08 1.38 0.09 0.00 -0.96 0.00 0.00 56.93 57.53 2wet s PHE 349 Cb -0.01 0.36 -0.04 0.00 -0.34 0.00 0.00 43.02 42.98 2wet s PHE 349 CO -0.05 -0.28 -0.19 0.14 -1.46 0.00 0.00 175.22 173.38 2wet s VAL 350 N 0.46 1.94 0.54 3.12 -7.23 -1.26 -0.74 120.40 117.23 2wet s VAL 350 Ca 0.00 -2.03 -0.20 0.00 -1.81 0.00 0.00 61.98 57.95 2wet s VAL 350 Cb -0.05 -1.95 -0.07 0.00 0.56 0.00 0.00 36.38 34.87 2wet s VAL 350 CO -0.06 -0.34 0.94 -1.84 -0.31 0.00 0.00 175.10 173.48 2wet n GLU 351 N 0.10 1.02 -0.09 4.82 0.28 -1.26 -4.76 120.64 120.74 2wet n GLU 351 Ca -0.11 0.38 0.00 0.00 -0.16 0.00 0.00 57.16 57.27 2wet n GLU 351 Cb 0.58 -2.09 0.00 0.00 1.43 0.00 0.00 31.44 31.36 2wet n GLU 351 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 2wet n PRO 352 N -0.55 0.77 0.11 3.44 -0.04 -1.26 -4.34 135.00 133.12 2wet n PRO 352 Ca 0.12 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.63 2wet n PRO 352 Cb 0.45 -1.12 0.49 0.00 -0.04 0.00 0.00 33.50 33.29 2wet n PRO 352 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2wet h LEU 353 N 1.70 0.26 -2.99 1.53 5.85 -2.03 -2.80 115.31 116.83 2wet h LEU 353 Ca 0.00 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2wet h LEU 353 Cb 0.77 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 2wet h LEU 353 CO 0.00 0.23 -0.23 -0.62 -0.34 0.00 0.00 178.44 177.48 2wet n GLU 354 N -4.46 1.40 -3.60 1.25 -0.58 -1.26 -5.01 120.64 108.38 2wet n GLU 354 Ca 0.00 -2.89 -0.24 0.00 -0.42 0.00 0.00 57.16 53.61 2wet n GLU 354 Cb 0.11 -1.54 0.03 0.00 -0.57 0.00 0.00 31.44 29.46 2wet n GLU 354 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2wet n SER 355 N -1.28 -5.69 -0.00 1.62 7.64 -1.06 -4.88 113.62 109.97 2wet n SER 355 Ca 0.17 -0.83 0.04 0.00 1.01 0.00 0.00 58.87 59.27 2wet n SER 355 Cb 0.66 -3.32 -0.06 0.00 -1.01 0.00 0.00 64.21 60.49 2wet n SER 355 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2wet n THR 356 N -3.38 0.00 -0.17 0.44 -2.24 -1.26 -3.84 114.28 103.82 2wet n THR 356 Ca -0.13 -0.26 -0.01 0.00 -2.27 0.00 0.00 64.05 61.38 2wet n THR 356 Cb 0.60 0.76 0.08 0.00 -2.10 0.00 0.00 70.33 69.67 2wet n THR 356 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2wet h GLY 357 N 1.93 0.63 2.00 3.38 0.00 -1.92 0.28 103.07 109.38 2wet h GLY 357 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 2wet h GLY 357 CO 0.00 -0.11 -0.72 -2.22 0.00 0.00 0.00 176.54 173.50 2wet h ILE 358 N 0.21 1.26 -0.52 2.60 2.04 -1.87 -2.49 117.51 118.73 2wet h ILE 358 Ca 0.27 -2.71 -0.06 0.00 1.00 0.00 0.00 64.86 63.37 2wet h ILE 358 Cb 0.39 2.57 -0.02 0.00 -0.74 0.00 0.00 36.82 39.03 2wet h ILE 358 CO -0.38 0.70 0.11 0.15 0.00 0.00 0.00 178.15 178.73 2wet h PHE 359 N 0.00 0.90 -0.83 1.37 3.57 -1.60 -0.41 116.94 119.93 2wet h PHE 359 Ca -0.01 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.39 2wet h PHE 359 Cb 1.52 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.97 2wet h PHE 359 CO 0.00 0.80 0.55 0.74 -2.23 0.00 0.00 178.31 178.17 2wet h PHE 360 N 0.74 1.05 0.16 0.41 0.04 -0.23 -0.39 116.94 118.72 2wet h PHE 360 Ca 0.16 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.95 2wet h PHE 360 Cb 0.36 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 38.16 2wet h PHE 360 CO 0.03 0.66 -0.08 0.82 -0.60 0.00 0.00 178.31 179.14 2wet h ILE 361 N 1.13 0.96 -0.35 -0.55 2.04 -1.19 -1.07 117.51 118.48 2wet h ILE 361 Ca 0.31 -0.60 0.02 0.00 1.00 0.00 0.00 64.86 65.59 2wet h ILE 361 Cb -0.13 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 2wet h ILE 361 CO -0.07 0.14 0.20 -0.61 0.00 0.00 0.00 178.15 177.81 2wet h GLN 362 N -0.51 0.39 -0.46 2.37 4.15 -0.75 -0.74 115.11 119.55 2wet h GLN 362 Ca -0.02 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.26 2wet h GLN 362 Cb 0.39 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 2wet h GLN 362 CO 0.04 0.26 -0.18 1.25 -1.93 0.00 0.00 178.83 178.26 2wet h HIS 363 N 0.40 1.03 -0.92 3.99 2.76 -1.12 0.45 115.15 121.74 2wet h HIS 363 Ca 0.14 -0.23 0.01 0.00 -2.20 0.00 0.00 60.37 58.09 2wet h HIS 363 Cb 0.02 -0.25 -0.05 0.00 1.55 0.00 0.00 27.41 28.68 2wet h HIS 363 CO -0.08 1.01 0.61 0.00 -1.30 0.00 0.00 177.93 178.17 2wet h ALA 364 N 0.99 1.35 0.02 5.26 0.00 -0.69 -0.75 119.26 125.43 2wet h ALA 364 Ca 0.11 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 2wet h ALA 364 Cb 0.73 -0.37 0.02 0.00 0.00 0.00 0.00 17.79 18.16 2wet h ALA 364 CO 0.06 0.60 -0.76 0.82 0.00 0.00 0.00 179.25 179.97 2wet h ILE 365 N 1.25 1.39 -0.89 0.00 2.04 -0.78 -1.14 117.51 119.38 2wet h ILE 365 Ca 0.34 -2.18 0.04 0.00 1.00 0.00 0.00 64.86 64.06 2wet h ILE 365 Cb -0.13 2.62 -0.05 0.00 -0.74 0.00 0.00 36.82 38.51 2wet h ILE 365 CO -0.08 0.64 0.57 -0.33 0.00 0.00 0.00 178.15 178.96 2wet h GLU 366 N 0.00 1.07 0.00 2.37 5.08 -0.81 -1.89 114.58 120.39 2wet h GLU 366 Ca -0.10 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 2wet h GLU 366 Cb 1.47 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2wet h GLU 366 CO 0.15 0.71 -0.27 1.96 -1.00 0.00 0.00 179.01 180.55 2wet h GLN 367 N 1.10 0.00 -0.44 2.33 1.08 -1.14 -2.63 115.11 115.41 2wet h GLN 367 Ca 0.36 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.45 2wet h GLN 367 Cb 0.03 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 2wet h GLN 367 CO -0.13 0.27 -0.16 1.25 -0.95 0.00 0.00 178.83 179.11 2wet h LEU 368 N 0.00 0.90 -0.32 1.46 5.85 -0.78 0.97 115.31 123.39 2wet h LEU 368 Ca -0.00 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 2wet h LEU 368 Cb 1.13 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 2wet h LEU 368 CO 0.04 1.08 0.19 0.58 -0.34 0.00 0.00 178.44 179.99 2wet h VAL 369 N 0.71 1.12 -0.72 1.05 2.07 -1.20 0.14 116.25 119.42 2wet h VAL 369 Ca 0.10 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.35 2wet h VAL 369 Cb 0.72 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 2wet h VAL 369 CO 0.05 0.12 0.48 0.11 0.02 0.00 0.00 177.57 178.35 2wet h LYS 370 N 0.41 0.95 -0.62 1.57 1.79 -1.37 -2.65 116.57 116.65 2wet h LYS 370 Ca 0.11 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 2wet h LYS 370 Cb 0.02 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.45 2wet h LYS 370 CO -0.02 0.63 0.01 0.72 -1.08 0.00 0.00 179.45 179.71 2wet n HIS 371 N -4.43 1.96 -1.86 -1.35 8.25 0.33 -5.01 115.22 113.11 2wet n HIS 371 Ca 0.08 -0.69 -0.42 0.00 -0.26 0.00 0.00 57.72 56.43 2wet n HIS 371 Cb 0.03 -0.49 -0.02 0.00 1.12 0.00 0.00 29.99 30.63 2wet n HIS 371 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2wet s PHE 372 N -2.64 2.89 0.46 4.41 5.36 0.01 -4.87 117.98 123.60 2wet s PHE 372 Ca 0.51 0.77 -0.22 0.00 -0.96 0.00 0.00 56.93 57.03 2wet s PHE 372 Cb 0.39 -3.99 -0.08 0.00 -0.34 0.00 0.00 43.02 39.00 2wet s PHE 372 CO 0.15 -3.40 1.08 -1.25 -1.46 0.00 0.00 175.22 170.34 2wet s PRO 373 N -0.02 3.84 0.42 10.12 0.04 -1.26 -5.07 135.00 143.07 2wet s PRO 373 Ca 0.65 1.54 -0.02 0.00 0.04 0.00 0.00 61.00 63.21 2wet s PRO 373 Cb -0.46 -2.30 0.09 0.00 0.04 0.00 0.00 34.50 31.87 2wet s PRO 373 CO 0.42 -0.43 0.58 0.41 0.04 0.00 0.00 177.00 178.02 2wet n GLY 374 N 0.16 0.30 0.24 0.56 0.00 -1.26 -4.45 105.19 100.74 2wet n GLY 374 Ca 0.08 -1.94 0.07 0.00 0.00 0.00 0.00 46.02 44.24 2wet n GLY 374 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2wet h GLU 375 N 0.00 0.00 -5.54 1.61 4.11 -1.96 -3.21 114.58 109.59 2wet h GLU 375 Ca -0.19 0.00 -0.62 0.00 0.07 0.00 0.00 59.36 58.62 2wet h GLU 375 Cb 0.66 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.77 2wet h GLU 375 CO 0.19 0.13 0.59 1.03 0.07 0.00 0.00 179.01 181.02 2wet s ARG 376 N -4.67 3.12 0.45 1.06 0.52 -1.26 -4.99 118.95 113.19 2wet s ARG 376 Ca -0.04 -0.76 -0.24 0.00 -0.52 0.00 0.00 55.73 54.17 2wet s ARG 376 Cb 0.16 -4.22 -0.07 0.00 0.52 0.00 0.00 34.95 31.33 2wet s ARG 376 CO 0.67 -1.84 1.25 -1.58 0.02 0.00 0.00 175.30 173.82 2wet s TRP 377 N 4.22 2.75 -0.36 -0.53 0.52 -1.21 -5.00 118.94 119.33 2wet s TRP 377 Ca 0.24 1.46 0.02 0.00 0.02 0.00 0.00 56.10 57.83 2wet s TRP 377 Cb -0.16 -3.57 0.11 0.00 -1.15 0.00 0.00 33.47 28.70 2wet s TRP 377 CO 0.11 -1.98 0.11 0.34 0.02 0.00 0.00 176.95 175.55 2wet s ASP 378 N -1.04 4.30 0.44 2.95 -1.08 -1.26 -4.99 116.67 116.00 2wet s ASP 378 Ca 0.62 -2.09 0.20 0.00 -0.52 0.00 0.00 52.55 50.77 2wet s ASP 378 Cb -0.34 -1.26 1.15 0.00 -1.46 0.00 0.00 42.92 41.01 2wet s ASP 378 CO 0.43 -0.37 1.88 -0.65 0.52 0.00 0.00 175.17 176.98 2wet h PRO 379 N 7.60 0.31 -0.32 4.34 0.11 -1.99 0.43 132.00 142.49 2wet h PRO 379 Ca -0.08 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.84 2wet h PRO 379 Cb 1.00 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 2wet h PRO 379 CO 0.51 0.21 -0.47 0.28 -0.21 0.00 0.00 178.00 178.32 2wet h VAL 380 N 0.32 1.28 -0.22 3.15 2.07 -1.99 0.35 116.25 121.21 2wet h VAL 380 Ca 0.43 -1.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.23 2wet h VAL 380 Cb 1.17 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 2wet h VAL 380 CO -0.13 0.54 -0.11 0.25 0.02 0.00 0.00 177.57 178.15 2wet h LEU 381 N 0.69 0.48 -0.75 2.57 5.85 -1.61 -1.65 115.31 120.88 2wet h LEU 381 Ca 0.04 -0.41 0.06 0.00 0.84 0.00 0.00 57.88 58.41 2wet h LEU 381 Cb 1.07 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.91 2wet h LEU 381 CO 0.11 0.78 0.44 0.40 -0.34 0.00 0.00 178.44 179.83 2wet h ILE 382 N 0.18 0.98 -0.53 4.05 2.04 -0.91 -1.44 117.51 121.88 2wet h ILE 382 Ca 0.05 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 2wet h ILE 382 Cb 0.60 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 2wet h ILE 382 CO 0.03 0.14 0.27 -1.28 0.00 0.00 0.00 178.15 177.32 2wet h SER 383 N 0.79 0.69 -0.82 1.72 0.87 -0.79 -1.04 113.55 114.96 2wet h SER 383 Ca 0.34 -0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.79 2wet h SER 383 Cb 0.21 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.95 2wet h SER 383 CO -0.19 0.61 0.55 0.00 -0.53 0.00 0.00 176.83 177.26 2wet h ALA 384 N 1.11 1.42 -0.13 6.23 0.00 -0.88 -1.73 119.26 125.27 2wet h ALA 384 Ca 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2wet h ALA 384 Cb 0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2wet h ALA 384 CO -0.03 0.54 0.07 -0.92 0.00 0.00 0.00 179.25 178.91 2wet h TYR 385 N 1.11 0.18 -1.00 0.00 3.20 -0.86 -2.79 116.97 116.82 2wet h TYR 385 Ca 0.30 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.21 2wet h TYR 385 Cb -0.12 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.03 2wet h TYR 385 CO -0.00 0.19 0.65 -0.91 -1.64 0.00 0.00 178.16 176.46 2wet h ASN 386 N 0.11 1.07 -0.58 -2.11 2.35 -0.80 -2.38 115.58 113.25 2wet h ASN 386 Ca 0.05 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 2wet h ASN 386 Cb 0.08 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 2wet h ASN 386 CO -0.01 0.72 0.19 -0.33 -1.65 0.00 0.00 177.43 176.35 2wet h GLU 387 N 1.24 0.90 -0.85 0.81 4.39 -1.29 -1.17 114.58 118.61 2wet h GLU 387 Ca 0.41 -0.19 0.01 0.00 0.34 0.00 0.00 59.36 59.93 2wet h GLU 387 Cb 0.06 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.53 2wet h GLU 387 CO -0.14 0.81 0.56 0.00 -1.16 0.00 0.00 179.01 179.08 2wet h ARG 388 N 0.82 1.10 -0.18 2.33 3.08 -1.18 -0.67 114.38 119.68 2wet h ARG 388 Ca 0.19 -0.07 -0.17 0.00 0.07 0.00 0.00 59.98 60.00 2wet h ARG 388 Cb 0.28 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 2wet h ARG 388 CO -0.01 0.73 -0.60 0.52 -1.07 0.00 0.00 179.97 179.54 2wet h MET 389 N 1.14 0.61 -0.23 0.04 2.86 -1.21 -1.48 114.93 116.65 2wet h MET 389 Ca 0.31 -0.41 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 2wet h MET 389 Cb -0.11 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 2wet h MET 389 CO -0.07 1.03 0.10 0.00 1.06 0.00 0.00 176.91 179.02 2wet h ALA 390 N 0.88 0.30 -0.36 6.32 0.00 -1.01 -2.67 119.26 122.72 2wet h ALA 390 Ca -0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2wet h ALA 390 Cb 1.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2wet h ALA 390 CO 0.12 -0.11 -0.04 0.45 0.00 0.00 0.00 179.25 179.67 2wet h HIS 391 N 0.23 0.63 -0.09 0.00 -0.00 -1.07 -0.17 115.15 114.68 2wet h HIS 391 Ca 0.08 -0.08 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2wet h HIS 391 Cb 0.17 -0.17 -0.00 0.00 -0.00 0.00 0.00 27.41 27.40 2wet h HIS 391 CO -0.01 0.63 0.05 1.98 -0.00 0.00 0.00 177.93 180.58 2wet h MET 392 N 0.56 0.12 0.01 2.45 -1.53 -1.14 -0.97 114.93 114.43 2wet h MET 392 Ca 0.11 -0.01 -0.22 0.00 -3.44 0.00 0.00 59.70 56.14 2wet h MET 392 Cb 0.42 -0.02 0.02 0.00 -0.55 0.00 0.00 31.60 31.46 2wet h MET 392 CO 0.02 0.16 -0.87 0.28 0.14 0.00 0.00 176.91 176.63 2wet h VAL 393 N 0.06 1.34 -0.73 -5.77 2.07 -1.35 -3.13 116.25 108.75 2wet h VAL 393 Ca 0.03 -2.19 -0.00 0.00 0.82 0.00 0.00 66.70 65.36 2wet h VAL 393 Cb 0.07 2.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.30 2wet h VAL 393 CO -0.01 0.66 0.43 0.44 0.02 0.00 0.00 177.57 179.12 2wet h ASP 394 N 0.18 0.87 -0.53 0.57 3.32 -0.95 -0.20 116.42 119.66 2wet h ASP 394 Ca -0.11 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 2wet h ASP 394 Cb 1.55 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.86 2wet h ASP 394 CO 0.17 0.67 0.27 1.23 -1.72 0.00 0.00 179.24 179.86 2wet h GLY 395 N 1.03 0.81 0.94 2.75 0.00 -1.23 -2.31 103.07 105.06 2wet h GLY 395 Ca 0.26 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 2wet h GLY 395 CO -0.05 0.37 -0.04 -2.08 0.00 0.00 0.00 176.54 174.74 2wet h VAL 396 N 0.72 1.27 -0.50 4.60 2.07 -1.36 -1.96 116.25 121.09 2wet h VAL 396 Ca 0.19 -1.08 0.10 0.00 0.82 0.00 0.00 66.70 66.72 2wet h VAL 396 Cb 0.09 1.22 -0.09 0.00 -1.52 0.00 0.00 31.29 30.99 2wet h VAL 396 CO -0.03 0.36 -0.11 0.50 0.02 0.00 0.00 177.57 178.32 2wet h LYS 397 N 0.50 0.02 -0.54 1.57 3.64 -0.96 0.13 116.57 120.93 2wet h LYS 397 Ca 0.10 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.36 2wet h LYS 397 Cb 0.53 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 2wet h LYS 397 CO 0.03 0.01 -0.12 1.49 -2.27 0.00 0.00 179.45 178.58 2wet h GLU 398 N 0.02 1.03 -0.44 1.90 4.81 -1.28 -1.85 114.58 118.77 2wet h GLU 398 Ca 0.24 -0.39 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 2wet h GLU 398 Cb 0.37 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 2wet h GLU 398 CO -0.50 1.08 0.25 0.35 -0.73 0.00 0.00 179.01 179.46 2wet h PHE 399 N 0.91 0.57 -0.01 0.92 3.57 -0.63 -2.40 116.94 119.87 2wet h PHE 399 Ca 0.14 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.39 2wet h PHE 399 Cb 0.70 -0.19 0.01 0.00 2.79 0.00 0.00 35.95 39.26 2wet h PHE 399 CO 0.05 0.40 -0.98 -0.07 -2.23 0.00 0.00 178.31 175.47 2wet h LEU 400 N 0.60 0.79 -1.30 0.59 3.38 -0.28 -2.97 115.31 116.11 2wet h LEU 400 Ca 0.16 -0.62 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 2wet h LEU 400 Cb -0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2wet h LEU 400 CO -0.03 1.41 0.05 0.58 0.09 0.00 0.00 178.44 180.54 2wet h VAL 401 N 0.35 1.18 -0.58 1.22 2.07 -1.21 -1.17 116.25 118.11 2wet h VAL 401 Ca -0.11 -0.67 0.08 0.00 0.82 0.00 0.00 66.70 66.82 2wet h VAL 401 Cb 1.63 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 2wet h VAL 401 CO 0.19 0.24 0.39 0.25 0.02 0.00 0.00 177.57 178.65 2wet h LEU 402 N 0.51 0.42 -0.20 2.57 5.85 -1.28 -0.98 115.31 122.20 2wet h LEU 402 Ca 0.11 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2wet h LEU 402 Cb 0.25 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2wet h LEU 402 CO 0.00 0.26 0.11 0.45 -0.34 0.00 0.00 178.44 178.92 2wet h HIS 403 N 0.47 0.27 0.00 1.25 3.86 -1.10 -0.71 115.15 119.19 2wet h HIS 403 Ca 0.26 -0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.38 2wet h HIS 403 Cb 0.41 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 2wet h HIS 403 CO -0.00 0.26 -0.38 1.88 0.86 0.00 0.00 177.93 180.55 2wet h TYR 404 N 0.21 0.00 0.00 2.45 0.05 -1.28 -1.89 116.97 116.51 2wet h TYR 404 Ca 0.07 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.70 2wet h TYR 404 Cb 0.08 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 2wet h TYR 404 CO -0.04 0.38 -0.70 0.87 -1.05 0.00 0.00 178.16 177.63 2wet h LYS 405 N 0.00 0.00 0.00 4.88 1.79 -1.02 -3.27 116.57 118.95 2wet h LYS 405 Ca -0.00 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 2wet h LYS 405 Cb 0.72 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 2wet h LYS 405 CO 0.05 0.70 -0.68 0.78 -1.08 0.00 0.00 179.45 179.22 2wet h GLY 406 N 3.16 0.00 -5.85 3.86 0.00 -0.87 -3.45 103.07 99.91 2wet h GLY 406 Ca -0.01 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.76 2wet h GLY 406 CO 0.09 0.00 1.29 0.00 0.00 0.00 0.00 176.54 177.92 2wet n ALA 407 N -2.23 1.54 1.36 3.60 0.00 -0.73 -4.43 120.51 119.62 2wet n ALA 407 Ca -0.00 0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.67 2wet n ALA 407 Cb 0.68 -2.72 0.46 0.00 0.00 0.00 0.00 19.45 17.87 2wet n ALA 407 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wet n GLN 408 N 7.75 1.13 -2.42 0.00 1.13 -1.14 -4.91 117.38 118.92 2wet n GLN 408 Ca 0.23 -0.64 -0.38 0.00 -1.94 0.00 0.00 57.00 54.28 2wet n GLN 408 Cb 0.40 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.23 2wet n GLN 408 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 2wet s ARG 409 N -2.31 4.18 -0.21 -1.09 1.70 -1.02 -4.92 118.95 115.29 2wet s ARG 409 Ca 0.30 1.70 0.21 0.00 -0.47 0.00 0.00 55.73 57.47 2wet s ARG 409 Cb 0.20 -2.69 0.45 0.00 -0.57 0.00 0.00 34.95 32.33 2wet s ARG 409 CO 0.45 -0.17 1.19 0.39 -1.08 0.00 0.00 175.30 176.07 2wet n GLU 410 N 0.17 1.24 0.01 3.89 1.02 -1.26 -4.69 120.64 121.02 2wet n GLU 410 Ca 0.04 -2.70 0.11 0.00 -0.02 0.00 0.00 57.16 54.58 2wet n GLU 410 Cb 0.47 -0.85 0.00 0.00 -0.02 0.00 0.00 31.44 31.05 2wet n GLU 410 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2wet n ASP 411 N -0.51 0.72 -4.29 1.62 5.75 -1.26 -4.63 116.55 113.95 2wet n ASP 411 Ca 0.01 -0.56 -0.16 0.00 -0.01 0.00 0.00 54.79 54.07 2wet n ASP 411 Cb 0.88 0.83 -0.10 0.00 -1.03 0.00 0.00 41.12 41.69 2wet n ASP 411 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2wet s THR 412 N -3.08 1.12 0.30 2.12 -4.23 -1.26 -5.02 115.64 105.59 2wet s THR 412 Ca 0.07 -2.05 0.05 0.00 -1.18 0.00 0.00 61.69 58.58 2wet s THR 412 Cb 0.16 -2.09 0.31 0.00 1.34 0.00 0.00 72.50 72.22 2wet s THR 412 CO 0.81 -0.54 1.66 -0.65 -0.54 0.00 0.00 174.62 175.36 2wet h PRO 413 N 2.63 0.27 -0.14 3.99 0.11 -1.91 -1.23 132.00 135.72 2wet h PRO 413 Ca -0.37 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.76 2wet h PRO 413 Cb 1.21 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 2wet h PRO 413 CO 0.64 0.18 -0.15 -0.92 -0.21 0.00 0.00 178.00 177.53 2wet h TYR 414 N 0.28 -0.39 -0.01 0.65 3.20 -1.95 -0.99 116.97 117.76 2wet h TYR 414 Ca 0.60 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 62.34 2wet h TYR 414 Cb 1.23 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.68 2wet h TYR 414 CO -0.18 -0.22 -0.69 -1.49 -1.64 0.00 0.00 178.16 173.94 2wet h TRP 415 N -0.19 0.06 -0.65 -3.82 4.06 -1.58 -1.70 115.95 112.13 2wet h TRP 415 Ca 0.10 -0.03 -0.02 0.00 2.06 0.00 0.00 58.89 61.00 2wet h TRP 415 Cb 0.33 -0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 28.45 2wet h TRP 415 CO -0.27 0.72 0.31 0.87 -3.56 0.00 0.00 178.44 176.51 2wet h LYS 416 N 0.03 0.93 -0.08 0.49 1.57 -1.10 -2.99 116.57 115.42 2wet h LYS 416 Ca -0.01 -0.14 -0.16 0.00 -1.87 0.00 0.00 60.65 58.48 2wet h LYS 416 Cb 1.23 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 2wet h LYS 416 CO 0.09 0.74 -0.64 0.00 -0.57 0.00 0.00 179.45 179.08 2wet h ALA 417 N 1.14 0.75 -0.60 3.86 0.00 -0.86 -2.74 119.26 120.82 2wet h ALA 417 Ca 0.22 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2wet h ALA 417 Cb 0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2wet h ALA 417 CO -0.03 0.74 0.36 0.00 0.00 0.00 0.00 179.25 180.33 2wet h ALA 418 N 1.09 1.52 -0.81 0.00 0.00 -1.27 -1.38 119.26 118.42 2wet h ALA 418 Ca -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2wet h ALA 418 Cb 1.17 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2wet h ALA 418 CO 0.10 0.42 0.40 -0.22 0.00 0.00 0.00 179.25 179.95 2wet h LYS 419 N 0.82 1.16 -0.01 0.00 3.64 -1.33 -3.21 116.57 117.63 2wet h LYS 419 Ca 0.22 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2wet h LYS 419 Cb -0.04 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 2wet h LYS 419 CO -0.04 0.89 -0.57 0.25 -2.27 0.00 0.00 179.45 177.71 2wet n THR 420 N -4.36 0.00 -1.71 1.00 -2.24 -1.10 -5.02 114.28 100.85 2wet n THR 420 Ca 0.08 -0.22 -0.38 0.00 -2.27 0.00 0.00 64.05 61.26 2wet n THR 420 Cb 0.13 1.21 0.06 0.00 -2.10 0.00 0.00 70.33 69.63 2wet n THR 420 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2wet n ARG 421 N -0.30 1.29 -1.31 -0.78 0.63 -0.54 -4.95 116.66 110.70 2wet n ARG 421 Ca 0.08 0.49 -0.36 0.00 -0.92 0.00 0.00 57.85 57.15 2wet n ARG 421 Cb 0.44 -2.49 0.08 0.00 0.45 0.00 0.00 32.46 30.94 2wet n ARG 421 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wet n ALA 422 N -1.56 -0.59 -2.46 5.13 0.00 -1.26 -5.05 120.51 114.73 2wet n ALA 422 Ca 0.14 -0.21 -0.25 0.00 0.00 0.00 0.00 53.44 53.12 2wet n ALA 422 Cb 0.47 -2.05 -0.10 0.00 0.00 0.00 0.00 19.45 17.76 2wet n ALA 422 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2wet s MET 423 N -3.23 1.64 0.82 0.00 1.00 -1.26 -4.61 119.30 113.66 2wet s MET 423 Ca 0.71 -1.71 -0.11 0.00 0.00 0.00 0.00 55.69 54.59 2wet s MET 423 Cb -0.34 -1.78 0.09 0.00 0.00 0.00 0.00 34.83 32.80 2wet s MET 423 CO 0.53 0.35 1.12 -2.14 0.00 0.00 0.00 175.02 174.87 2wet s PRO 424 N -3.30 1.78 0.31 2.03 0.02 -1.26 -4.96 135.00 129.61 2wet s PRO 424 Ca 0.28 1.37 -0.30 0.00 0.02 0.00 0.00 61.00 62.36 2wet s PRO 424 Cb -0.06 -1.83 -0.12 0.00 0.02 0.00 0.00 34.50 32.52 2wet s PRO 424 CO 0.14 -2.03 1.57 -0.25 -0.33 0.00 0.00 177.00 176.09 2wet n ASP 425 N -3.71 3.81 0.00 2.53 9.92 -1.26 -2.90 116.55 124.94 2wet n ASP 425 Ca 0.10 1.16 0.00 0.00 -0.53 0.00 0.00 54.79 55.53 2wet n ASP 425 Cb 0.52 -1.59 0.00 0.00 -0.64 0.00 0.00 41.12 39.41 2wet n ASP 425 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wet n GLY 426 N 1.81 2.44 0.20 0.44 0.00 -1.26 -4.90 105.19 103.92 2wet n GLY 426 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 2wet n GLY 426 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wet h LEU 427 N 0.00 0.76 -0.64 0.99 5.85 -1.91 -2.74 115.31 117.63 2wet h LEU 427 Ca 0.00 -0.57 0.13 0.00 0.84 0.00 0.00 57.88 58.28 2wet h LEU 427 Cb 0.00 -0.22 -0.12 0.00 0.37 0.00 0.00 40.66 40.69 2wet h LEU 427 CO 0.00 1.20 -0.12 0.00 -0.34 0.00 0.00 178.44 179.18 2wet h ALA 428 N 0.59 0.48 -0.99 1.25 0.00 -1.91 0.15 119.26 118.83 2wet h ALA 428 Ca -0.01 0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.16 2wet h ALA 428 Cb 1.10 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 19.28 2wet h ALA 428 CO 0.11 -0.42 0.65 -0.09 0.00 0.00 0.00 179.25 179.49 2wet h ARG 429 N 0.03 1.26 -0.52 0.00 9.65 -1.94 0.13 114.38 122.99 2wet h ARG 429 Ca 0.31 -0.08 -0.09 0.00 -1.10 0.00 0.00 59.98 59.03 2wet h ARG 429 Cb 0.49 -0.28 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 2wet h ARG 429 CO -0.63 0.83 -0.02 0.87 2.80 0.00 0.00 179.97 183.83 2wet h LYS 430 N 1.30 0.89 -0.30 0.20 1.57 -0.69 -1.24 116.57 118.29 2wet h LYS 430 Ca 0.38 -0.27 -0.14 0.00 -1.87 0.00 0.00 60.65 58.75 2wet h LYS 430 Cb -0.08 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 2wet h LYS 430 CO -0.10 0.90 -0.40 -0.07 -0.57 0.00 0.00 179.45 179.21 2wet h LEU 431 N 0.82 0.77 -0.39 2.94 3.38 -0.15 -1.22 115.31 121.47 2wet h LEU 431 Ca 0.15 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 2wet h LEU 431 Cb 0.51 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2wet h LEU 431 CO 0.03 1.08 0.15 -0.33 0.09 0.00 0.00 178.44 179.45 2wet h GLU 432 N 0.59 0.59 -0.21 1.13 5.08 -0.57 -2.84 114.58 118.34 2wet h GLU 432 Ca 0.05 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2wet h GLU 432 Cb 0.94 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 2wet h GLU 432 CO 0.09 0.56 0.02 -0.07 -1.00 0.00 0.00 179.01 178.61 2wet h LEU 433 N 0.48 -0.04 -2.14 1.33 3.38 -1.17 -3.06 115.31 114.08 2wet h LEU 433 Ca 0.13 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2wet h LEU 433 Cb 0.19 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2wet h LEU 433 CO -0.01 0.01 -0.04 0.28 0.09 0.00 0.00 178.44 178.77 2wet h SER 434 N 0.10 0.00 1.43 -0.43 0.02 -1.08 0.29 113.55 113.89 2wet h SER 434 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2wet h SER 434 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2wet h SER 434 CO -0.15 0.04 0.00 0.00 -1.14 0.00 0.00 176.83 175.57 2wet h ALA 435 N 1.96 1.00 0.02 3.77 0.00 -1.40 -3.14 119.26 121.47 2wet h ALA 435 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 2wet h ALA 435 Cb 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 2wet h ALA 435 CO 0.00 0.00 -2.02 0.45 0.00 0.00 0.00 179.25 177.68 2wet n SER 436 N -2.90 1.95 -3.56 0.00 2.88 0.76 -1.60 113.62 111.14 2wet n SER 436 Ca 0.03 0.29 -0.06 0.00 -1.33 0.00 0.00 58.87 57.80 2wet n SER 436 Cb 0.40 -0.83 -0.00 0.00 -0.75 0.00 0.00 64.21 63.03 2wet n SER 436 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2wet s HIS 437 N -2.47 -0.08 0.43 0.66 0.00 0.36 -4.42 115.29 109.78 2wet s HIS 437 Ca -0.33 -0.40 -0.23 0.00 -3.00 0.00 0.00 55.06 51.10 2wet s HIS 437 Cb 0.10 0.73 -0.08 0.00 -4.00 0.00 0.00 32.58 29.32 2wet s HIS 437 CO 0.57 -1.20 1.10 -0.51 -1.00 0.00 0.00 174.74 173.70 2wet s LEU 438 N -3.01 4.06 0.74 5.38 1.43 -1.26 -3.53 118.68 122.50 2wet s LEU 438 Ca 0.13 2.14 -0.13 0.00 -1.03 0.00 0.00 54.13 55.24 2wet s LEU 438 Cb -0.04 -4.24 0.04 0.00 0.03 0.00 0.00 46.19 41.98 2wet s LEU 438 CO 0.07 -0.69 1.14 -0.76 0.23 0.00 0.00 176.35 176.34 2wet s LEU 439 N -2.87 3.22 0.00 1.79 1.43 -1.26 -4.94 118.68 116.04 2wet s LEU 439 Ca 0.61 2.10 0.01 0.00 -1.03 0.00 0.00 54.13 55.82 2wet s LEU 439 Cb -0.24 -4.56 -0.00 0.00 0.03 0.00 0.00 46.19 41.41 2wet s LEU 439 CO 0.30 -2.12 0.10 -0.90 0.23 0.00 0.00 176.35 173.95 2wet n ASP 440 N -3.00 -0.25 -0.30 2.29 5.68 -1.26 -4.88 116.55 114.82 2wet n ASP 440 Ca 0.11 -1.54 0.18 0.00 -0.50 0.00 0.00 54.79 53.04 2wet n ASP 440 Cb 0.52 0.53 0.44 0.00 -1.14 0.00 0.00 41.12 41.47 2wet n ASP 440 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2wet h GLU 441 N 0.00 0.51 0.00 0.11 3.07 -1.96 -0.79 114.58 115.52 2wet h GLU 441 Ca -0.07 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 2wet h GLU 441 Cb 0.31 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 2wet h GLU 441 CO 0.09 0.34 -0.00 1.96 -1.40 0.00 0.00 179.01 180.00 2wet h GLN 442 N 0.53 0.00 -0.00 2.33 1.08 -1.98 -3.37 115.11 113.70 2wet h GLN 442 Ca 0.54 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.74 2wet h GLN 442 Cb 1.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.60 2wet h GLN 442 CO -0.28 0.00 -0.11 0.25 -0.95 0.00 0.00 178.83 177.74 2wet n THR 443 N -2.71 0.00 -1.68 -0.54 -2.24 -0.39 -4.98 114.28 101.75 2wet n THR 443 Ca 0.05 -0.45 -0.30 0.00 -2.27 0.00 0.00 64.05 61.08 2wet n THR 443 Cb 0.48 1.02 0.20 0.00 -2.10 0.00 0.00 70.33 69.93 2wet n THR 443 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2wet s ILE 444 N -1.06 1.88 0.18 2.28 -4.36 -0.69 -4.86 121.20 114.58 2wet s ILE 444 Ca 0.02 0.00 -0.32 0.00 -0.26 0.00 0.00 60.65 60.08 2wet s ILE 444 Cb 0.02 -2.85 -0.12 0.00 1.25 0.00 0.00 42.46 40.76 2wet s ILE 444 CO 0.10 0.00 1.73 0.00 0.24 0.00 0.00 174.94 177.01 2wet n TYR 445 N -4.05 2.65 0.48 1.37 9.36 -1.26 -4.88 117.16 120.82 2wet n TYR 445 Ca 0.14 0.04 0.12 0.00 3.32 0.00 0.00 57.90 61.53 2wet n TYR 445 Cb 0.59 -2.67 0.21 0.00 -0.63 0.00 0.00 39.34 36.85 2wet n TYR 445 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 2wet h PRO 446 N 6.99 0.00 -6.30 2.98 0.13 -1.92 -3.46 132.00 130.41 2wet h PRO 446 Ca -0.44 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.23 2wet h PRO 446 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2wet h PRO 446 CO 0.95 0.00 -0.35 0.71 -0.23 0.00 0.00 178.00 179.07 2wet s TYR 447 N -3.18 3.38 0.15 1.56 2.02 -1.26 -5.02 117.35 114.99 2wet s TYR 447 Ca 0.07 0.02 -0.31 0.00 -0.37 0.00 0.00 57.07 56.47 2wet s TYR 447 Cb 0.11 -1.75 -0.11 0.00 -0.40 0.00 0.00 41.96 39.82 2wet s TYR 447 CO 0.69 0.25 1.73 -0.47 -1.57 0.00 0.00 175.55 176.18 2wet s TYR 448 N -2.11 2.58 0.00 2.71 5.04 -1.26 -4.85 117.35 119.46 2wet s TYR 448 Ca 0.38 0.25 0.14 0.00 -2.44 0.00 0.00 57.07 55.40 2wet s TYR 448 Cb -0.09 -4.09 0.23 0.00 0.35 0.00 0.00 41.96 38.35 2wet s TYR 448 CO 0.31 -4.31 1.05 -2.39 -1.34 0.00 0.00 175.55 168.88 2wet n HIS 449 N 4.84 0.00 0.00 4.97 1.44 -1.26 -3.68 115.22 121.54 2wet n HIS 449 Ca 0.16 -0.37 0.00 0.00 -2.01 0.00 0.00 57.72 55.50 2wet n HIS 449 Cb 0.38 0.04 0.00 0.00 0.12 0.00 0.00 29.99 30.52 2wet n HIS 449 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2wet n GLY 450 N 0.27 1.92 3.82 -1.39 0.00 -1.26 -4.63 105.19 103.90 2wet n GLY 450 Ca -0.03 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 2wet n GLY 450 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wet s PHE 451 N -0.04 3.70 0.59 1.61 0.40 -1.26 -5.03 117.98 117.95 2wet s PHE 451 Ca 0.00 1.31 0.10 0.00 -0.60 0.00 0.00 56.93 57.74 2wet s PHE 451 Cb 0.00 -2.55 0.10 0.00 0.51 0.00 0.00 43.02 41.08 2wet s PHE 451 CO 0.00 0.43 0.81 0.39 0.70 0.00 0.00 175.22 177.55 2wet n GLU 452 N 1.04 0.59 -0.16 0.44 1.02 -1.26 -5.03 120.64 117.28 2wet n GLU 452 Ca -0.05 -3.13 -0.05 0.00 -0.02 0.00 0.00 57.16 53.91 2wet n GLU 452 Cb 0.51 -0.25 0.05 0.00 -0.02 0.00 0.00 31.44 31.72 2wet n GLU 452 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2wet h THR 453 N 0.08 0.97 -0.75 2.62 2.02 -1.97 -2.68 112.91 113.19 2wet h THR 453 Ca -0.27 -0.17 0.12 0.00 0.77 0.00 0.00 66.41 66.85 2wet h THR 453 Cb 1.25 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 68.04 2wet h THR 453 CO 0.39 0.09 0.50 0.10 0.37 0.00 0.00 175.52 176.97 2wet h TYR 454 N 0.50 0.63 -0.26 3.16 -0.00 -1.96 -0.90 116.97 118.15 2wet h TYR 454 Ca 0.21 0.02 -0.03 0.00 0.00 0.00 0.00 58.73 58.93 2wet h TYR 454 Cb 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 36.73 36.63 2wet h TYR 454 CO -0.10 0.27 0.04 0.77 -0.00 0.00 0.00 178.16 179.14 2wet h SER 455 N 0.57 0.42 -0.17 0.10 0.02 -1.86 0.33 113.55 112.95 2wet h SER 455 Ca 0.36 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 2wet h SER 455 Cb 0.61 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 2wet h SER 455 CO -0.13 0.58 0.09 -0.50 -1.14 0.00 0.00 176.83 175.72 2wet h TRP 456 N 0.24 0.16 -0.44 3.45 4.06 -1.21 -2.15 115.95 120.06 2wet h TRP 456 Ca 0.08 0.01 -0.00 0.00 2.06 0.00 0.00 58.89 61.03 2wet h TRP 456 Cb 0.34 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.43 2wet h TRP 456 CO 0.02 0.09 0.26 0.82 -3.56 0.00 0.00 178.44 176.08 2wet h ILE 457 N 0.19 1.14 -0.41 1.49 2.04 -1.02 -2.31 117.51 118.63 2wet h ILE 457 Ca 0.07 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 2wet h ILE 457 Cb 0.01 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 2wet h ILE 457 CO -0.05 0.14 0.10 0.74 0.00 0.00 0.00 178.15 179.09 2wet h THR 458 N 0.58 1.23 -0.35 -0.27 2.02 -0.22 -0.23 112.91 115.68 2wet h THR 458 Ca 0.16 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 2wet h THR 458 Cb 0.00 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 2wet h THR 458 CO -0.03 0.27 0.18 0.24 0.37 0.00 0.00 175.52 176.55 2wet h MET 459 N 0.51 0.50 -0.01 6.66 2.86 -1.37 -0.51 114.93 123.57 2wet h MET 459 Ca 0.13 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 2wet h MET 459 Cb 0.31 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 2wet h MET 459 CO 0.00 0.44 -0.07 -0.91 1.06 0.00 0.00 176.91 177.43 2wet h ASN 460 N 0.43 -0.21 -0.44 1.22 2.35 -0.88 -0.52 115.58 117.54 2wet h ASN 460 Ca 0.12 0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 2wet h ASN 460 Cb 0.10 0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 2wet h ASN 460 CO -0.02 -0.11 -0.06 -0.07 -1.65 0.00 0.00 177.43 175.53 2wet h LEU 461 N -0.13 0.86 -0.16 1.61 3.38 -0.99 0.45 115.31 120.33 2wet h LEU 461 Ca 0.03 -0.24 -0.16 0.00 0.09 0.00 0.00 57.88 57.60 2wet h LEU 461 Cb 0.17 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2wet h LEU 461 CO -0.08 0.95 -0.52 1.23 0.09 0.00 0.00 178.44 180.12 2wet h GLY 462 N 0.98 0.70 2.00 0.83 0.00 -0.99 -3.15 103.07 103.44 2wet h GLY 462 Ca 0.14 -0.91 -0.08 0.00 0.00 0.00 0.00 47.33 46.48 2wet h GLY 462 CO 0.03 0.81 -0.38 1.41 0.00 0.00 0.00 176.54 178.41 2wet h LEU 463 N 0.31 0.00 0.00 3.11 3.38 -1.06 -3.47 115.31 117.57 2wet h LEU 463 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2wet h LEU 463 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2wet h LEU 463 CO 0.11 0.38 0.00 0.61 0.09 0.00 0.00 178.44 179.63 2wet n GLY 464 N -0.05 1.52 3.37 0.83 0.00 -0.38 -4.41 105.19 106.08 2wet n GLY 464 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 2wet n GLY 464 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wet s ILE 465 N -2.00 4.89 -0.05 -0.61 1.01 0.14 -5.00 121.20 119.59 2wet s ILE 465 Ca 0.00 -1.19 0.05 0.00 0.00 0.00 0.00 60.65 59.50 2wet s ILE 465 Cb 0.00 -4.51 -0.00 0.00 0.01 0.00 0.00 42.46 37.96 2wet s ILE 465 CO 0.00 -1.15 -0.19 -0.69 0.00 0.00 0.00 174.94 172.92 2wet s VAL 466 N 2.43 1.56 0.34 2.92 1.01 -1.26 -3.94 120.40 123.46 2wet s VAL 466 Ca 0.14 -0.79 -0.28 0.00 0.00 0.00 0.00 61.98 61.05 2wet s VAL 466 Cb -0.22 -1.33 -0.13 0.00 0.00 0.00 0.00 36.38 34.71 2wet s VAL 466 CO 0.03 0.44 1.21 -2.65 0.00 0.00 0.00 175.10 174.14 2wet n PRO 467 N 3.11 1.91 -0.22 2.72 -0.02 -1.19 -4.65 135.00 136.67 2wet n PRO 467 Ca -0.18 0.67 0.02 0.00 -2.02 0.00 0.00 63.50 61.99 2wet n PRO 467 Cb 0.53 -2.21 0.13 0.00 -0.02 0.00 0.00 33.50 31.94 2wet n PRO 467 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2wet h GLU 468 N 2.35 0.24 -5.01 -0.52 4.81 -1.51 -3.44 114.58 111.52 2wet h GLU 468 Ca -0.45 -0.01 -0.36 0.00 -0.13 0.00 0.00 59.36 58.41 2wet h GLU 468 Cb 1.30 -0.05 -0.14 0.00 0.63 0.00 0.00 28.75 30.48 2wet h GLU 468 CO 0.62 0.16 -0.65 1.03 -0.73 0.00 0.00 179.01 179.43 2wet s ARG 469 N -6.09 1.30 1.14 1.92 0.52 -1.26 -5.15 118.95 111.33 2wet s ARG 469 Ca -0.13 -1.66 -0.13 0.00 -0.52 0.00 0.00 55.73 53.29 2wet s ARG 469 Cb 0.19 -0.51 0.27 0.00 0.52 0.00 0.00 34.95 35.43 2wet s ARG 469 CO 0.75 -0.13 1.04 -2.14 0.02 0.00 0.00 175.30 174.83 2wet s PRO 470 N -3.89 -0.75 -0.01 3.54 0.02 -1.26 -4.89 135.00 127.76 2wet s PRO 470 Ca 0.29 0.82 -0.30 0.00 0.02 0.00 0.00 61.00 61.83 2wet s PRO 470 Cb 0.06 -1.57 -0.05 0.00 0.02 0.00 0.00 34.50 32.95 2wet s PRO 470 CO 0.08 -3.61 1.44 0.50 -0.33 0.00 0.00 177.00 175.08 2wet s ARG 471 N -4.52 4.26 0.50 5.54 3.52 -1.26 -4.90 118.95 122.08 2wet s ARG 471 Ca 0.68 1.99 0.18 0.00 -0.13 0.00 0.00 55.73 58.45 2wet s ARG 471 Cb -0.24 -3.63 1.23 0.00 -1.56 0.00 0.00 34.95 30.75 2wet s ARG 471 CO 0.64 -0.62 2.06 -1.35 -0.81 0.00 0.00 175.30 175.21 2wet h PRO 472 N 8.07 0.12 -0.84 5.12 0.11 -1.99 -0.82 132.00 141.78 2wet h PRO 472 Ca -0.38 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.85 2wet h PRO 472 Cb 1.17 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.20 2wet h PRO 472 CO 0.91 0.08 0.55 0.00 -0.21 0.00 0.00 178.00 179.33 2wet h ALA 473 N 1.83 1.82 0.00 -0.75 0.00 -2.02 -2.59 119.26 117.55 2wet h ALA 473 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2wet h ALA 473 Cb 0.45 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wet h ALA 473 CO -0.02 -0.02 -0.12 -0.07 0.00 0.00 0.00 179.25 179.02 2wet h LEU 474 N 0.69 0.00 -1.82 0.00 3.38 -1.53 -0.92 115.31 115.11 2wet h LEU 474 Ca 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 2wet h LEU 474 Cb 0.61 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2wet h LEU 474 CO -0.17 0.12 -0.03 -0.07 0.09 0.00 0.00 178.44 178.38 2wet h LEU 475 N 0.00 0.00 -0.64 1.67 3.38 -1.61 -2.34 115.31 115.77 2wet h LEU 475 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wet h LEU 475 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2wet h LEU 475 CO 0.02 0.03 -0.04 1.41 0.09 0.00 0.00 178.44 179.94 2wet n HIS 476 N -3.16 0.00 -4.36 1.13 8.25 -0.35 -4.95 115.22 111.78 2wet n HIS 476 Ca -0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.18 2wet n HIS 476 Cb 0.26 -0.03 -0.11 0.00 1.12 0.00 0.00 29.99 31.22 2wet n HIS 476 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2wet s MET 477 N -2.11 1.70 -0.06 -0.41 -1.94 -0.88 -5.09 119.30 110.51 2wet s MET 477 Ca 0.37 -1.38 -0.30 0.00 -1.71 0.00 0.00 55.69 52.68 2wet s MET 477 Cb 0.21 -1.98 -0.05 0.00 2.01 0.00 0.00 34.83 35.01 2wet s MET 477 CO 0.38 0.43 1.66 0.34 -0.01 0.00 0.00 175.02 177.81 2wet s ASP 478 N -2.55 6.65 0.03 3.03 2.15 -1.26 -4.90 116.67 119.82 2wet s ASP 478 Ca 0.21 2.21 0.28 0.00 0.43 0.00 0.00 52.55 55.68 2wet s ASP 478 Cb -0.09 -2.53 1.06 0.00 -0.30 0.00 0.00 42.92 41.06 2wet s ASP 478 CO 0.11 -0.94 1.83 -0.81 -0.17 0.00 0.00 175.17 175.18 2wet n PRO 479 N 7.16 0.05 -0.09 4.34 -0.04 -1.26 -4.28 135.00 140.88 2wet n PRO 479 Ca 0.17 0.03 -0.06 0.00 -0.04 0.00 0.00 63.50 63.60 2wet n PRO 479 Cb 0.43 -1.55 -0.00 0.00 -0.04 0.00 0.00 33.50 32.34 2wet n PRO 479 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wet h ALA 480 N 2.92 0.11 -0.58 0.55 0.00 -1.99 -1.72 119.26 118.54 2wet h ALA 480 Ca 0.00 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2wet h ALA 480 Cb 0.54 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2wet h ALA 480 CO 0.00 -0.53 0.38 -1.35 0.00 0.00 0.00 179.25 177.75 2wet h PRO 481 N -0.09 0.68 -0.05 0.00 0.11 -2.00 0.28 132.00 130.92 2wet h PRO 481 Ca 0.16 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 65.99 2wet h PRO 481 Cb 0.35 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.32 2wet h PRO 481 CO -0.38 0.45 -0.92 0.00 -0.21 0.00 0.00 178.00 176.93 2wet h ALA 482 N 1.66 0.27 -0.39 -0.75 0.00 -1.75 -2.33 119.26 115.97 2wet h ALA 482 Ca 0.23 -0.66 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 2wet h ALA 482 Cb 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2wet h ALA 482 CO -0.06 0.72 -0.11 -0.07 0.00 0.00 0.00 179.25 179.73 2wet h LEU 483 N 0.40 0.66 -1.28 0.00 3.38 -0.75 -0.45 115.31 117.27 2wet h LEU 483 Ca -0.09 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 2wet h LEU 483 Cb 1.55 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2wet h LEU 483 CO 0.18 0.80 -0.27 0.00 0.09 0.00 0.00 178.44 179.23 2wet h ALA 484 N 1.27 1.13 0.12 1.53 0.00 -0.95 -2.19 119.26 120.16 2wet h ALA 484 Ca 0.11 -0.25 -0.29 0.00 0.00 0.00 0.00 54.91 54.48 2wet h ALA 484 Cb 0.54 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.31 2wet h ALA 484 CO 0.03 0.34 -1.23 1.49 0.00 0.00 0.00 179.25 179.88 2wet h GLU 485 N 0.00 0.55 -0.59 0.00 4.57 -0.73 -1.58 114.58 116.79 2wet h GLU 485 Ca -0.00 -0.75 0.00 0.00 -1.18 0.00 0.00 59.36 57.43 2wet h GLU 485 Cb 0.68 0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 29.49 2wet h GLU 485 CO 0.04 1.33 0.38 0.74 -1.18 0.00 0.00 179.01 180.31 2wet h PHE 486 N 0.23 0.76 -0.49 0.92 0.05 -0.94 -0.59 116.94 116.88 2wet h PHE 486 Ca -0.17 0.01 -0.02 0.00 3.82 0.00 0.00 57.97 61.60 2wet h PHE 486 Cb 1.91 -0.25 -0.02 0.00 2.00 0.00 0.00 35.95 39.58 2wet h PHE 486 CO 0.10 0.50 0.23 0.93 -0.18 0.00 0.00 178.31 179.89 2wet h GLU 487 N 0.80 0.72 -0.51 1.51 4.39 -1.45 -1.79 114.58 118.24 2wet h GLU 487 Ca 0.21 -0.11 0.03 0.00 0.34 0.00 0.00 59.36 59.84 2wet h GLU 487 Cb -0.06 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.43 2wet h GLU 487 CO -0.04 0.61 0.29 -0.09 -1.16 0.00 0.00 179.01 178.61 2wet h ARG 488 N 0.65 0.55 -0.95 2.33 2.43 -0.83 -0.63 114.38 117.93 2wet h ARG 488 Ca 0.17 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2wet h ARG 488 Cb 0.13 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 2wet h ARG 488 CO -0.02 0.36 0.63 -0.07 -1.51 0.00 0.00 179.97 179.36 2wet h LEU 489 N 0.56 1.08 -0.58 3.80 3.38 -0.99 -0.27 115.31 122.31 2wet h LEU 489 Ca 0.22 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 2wet h LEU 489 Cb 0.08 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2wet h LEU 489 CO -0.12 0.78 -0.05 -0.09 0.09 0.00 0.00 178.44 179.05 2wet h ARG 490 N 1.28 1.05 -0.10 1.13 2.43 -0.48 -1.25 114.38 118.45 2wet h ARG 490 Ca 0.35 -0.36 -0.22 0.00 -0.81 0.00 0.00 59.98 58.93 2wet h ARG 490 Cb -0.15 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.33 2wet h ARG 490 CO -0.08 1.06 -0.81 -0.09 -1.51 0.00 0.00 179.97 178.54 2wet h ARG 491 N 0.94 0.73 -0.54 0.20 2.43 -0.95 -1.99 114.38 115.19 2wet h ARG 491 Ca 0.16 -0.65 -0.05 0.00 -0.81 0.00 0.00 59.98 58.63 2wet h ARG 491 Cb 0.62 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.29 2wet h ARG 491 CO 0.04 1.25 0.14 0.93 -1.51 0.00 0.00 179.97 180.82 2wet h GLU 492 N 0.42 0.82 0.06 0.20 5.08 -1.01 -2.00 114.58 118.17 2wet h GLU 492 Ca -0.07 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2wet h GLU 492 Cb 1.46 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2wet h GLU 492 CO 0.17 0.73 -0.03 0.78 -1.00 0.00 0.00 179.01 179.65 2wet h GLY 493 N 0.96 -0.09 0.01 -3.84 0.00 -1.18 -1.90 103.07 97.03 2wet h GLY 493 Ca 0.18 0.03 0.11 0.00 0.00 0.00 0.00 47.33 47.65 2wet h GLY 493 CO -0.00 -0.03 -0.05 -0.55 0.00 0.00 0.00 176.54 175.90 2wet h ASP 494 N -0.14 -0.34 0.09 0.19 3.32 -1.13 -2.38 116.42 116.03 2wet h ASP 494 Ca -0.01 0.15 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 2wet h ASP 494 Cb 0.12 0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2wet h ASP 494 CO 0.01 -0.13 -0.34 -0.33 -1.72 0.00 0.00 179.24 176.73 2wet h GLU 495 N 0.07 0.36 -0.09 3.56 5.08 -1.25 -3.02 114.58 119.29 2wet h GLU 495 Ca 0.27 -0.15 -0.14 0.00 -1.00 0.00 0.00 59.36 58.34 2wet h GLU 495 Cb 0.43 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.67 2wet h GLU 495 CO -0.50 0.66 -0.50 -0.07 -1.00 0.00 0.00 179.01 177.60 2wet h LEU 496 N 0.31 0.59 -1.33 1.33 3.38 -0.92 -2.42 115.31 116.25 2wet h LEU 496 Ca 0.04 -0.66 -0.05 0.00 0.09 0.00 0.00 57.88 57.30 2wet h LEU 496 Cb 0.76 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2wet h LEU 496 CO 0.06 1.16 -0.24 0.16 0.09 0.00 0.00 178.44 179.66 2wet h ILE 497 N 0.08 0.70 -0.03 1.22 3.07 -1.46 0.58 117.51 121.67 2wet h ILE 497 Ca -0.04 -1.05 -0.19 0.00 1.55 0.00 0.00 64.86 65.13 2wet h ILE 497 Cb 1.15 1.67 -0.01 0.00 -0.27 0.00 0.00 36.82 39.36 2wet h ILE 497 CO 0.10 0.24 -0.80 0.00 -1.05 0.00 0.00 178.15 176.64 2wet h ALA 498 N 1.76 0.58 0.00 0.16 0.00 -1.49 -3.37 119.26 116.89 2wet h ALA 498 Ca -0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 54.91 53.95 2wet h ALA 498 Cb 0.65 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 2wet h ALA 498 CO 0.03 0.83 -2.11 0.00 0.00 0.00 0.00 179.25 178.00 2wet n ALA 499 N -2.49 1.66 -1.80 0.00 0.00 -0.86 -4.95 120.51 112.08 2wet n ALA 499 Ca -0.04 -1.06 -0.35 0.00 0.00 0.00 0.00 53.44 51.98 2wet n ALA 499 Cb 0.75 -0.45 -0.06 0.00 0.00 0.00 0.00 19.45 19.68 2wet n ALA 499 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wet s LEU 500 N -5.56 4.16 0.80 0.00 1.43 0.14 -4.91 118.68 114.73 2wet s LEU 500 Ca -0.08 1.79 -0.12 0.00 -1.03 0.00 0.00 54.13 54.69 2wet s LEU 500 Cb 0.07 -4.25 0.07 0.00 0.03 0.00 0.00 46.19 42.12 2wet s LEU 500 CO 0.83 -0.23 1.15 -2.16 0.23 0.00 0.00 176.35 176.18 2wet s PRO 501 N -2.56 2.06 0.92 1.29 0.04 -1.26 -4.89 135.00 130.60 2wet s PRO 501 Ca 0.56 0.24 -0.12 0.00 0.04 0.00 0.00 61.00 61.72 2wet s PRO 501 Cb -0.15 -1.95 0.14 0.00 0.04 0.00 0.00 34.50 32.58 2wet s PRO 501 CO 0.20 -1.55 1.09 -1.54 0.04 0.00 0.00 177.00 175.23 2wet s SER 502 N -4.43 3.31 0.11 6.66 1.04 -1.26 -1.07 113.70 118.06 2wet s SER 502 Ca 0.61 1.43 -0.22 0.00 0.48 0.00 0.00 55.95 58.25 2wet s SER 502 Cb -0.12 -2.11 -0.09 0.00 0.10 0.00 0.00 66.02 63.81 2wet s SER 502 CO 0.50 -2.73 1.71 0.00 0.98 0.00 0.00 173.24 173.70 2wet h TYR 504 N -0.10 0.53 -0.33 0.00 3.20 -1.82 -2.66 116.97 115.81 2wet h TYR 504 Ca 0.04 -0.05 0.07 0.00 3.14 0.00 0.00 58.73 61.93 2wet h TYR 504 Cb 0.16 -0.15 -0.08 0.00 1.54 0.00 0.00 36.73 38.19 2wet h TYR 504 CO -0.16 0.53 -0.26 0.93 -1.64 0.00 0.00 178.16 177.56 2wet h GLU 505 N 0.38 -0.22 -0.32 1.82 5.08 -1.84 0.18 114.58 119.66 2wet h GLU 505 Ca 0.11 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2wet h GLU 505 Cb 0.25 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2wet h GLU 505 CO -0.00 -0.15 0.13 -0.92 -1.00 0.00 0.00 179.01 177.07 2wet h TYR 506 N -0.23 0.48 -0.91 4.33 3.20 -1.33 -2.47 116.97 120.05 2wet h TYR 506 Ca 0.16 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.03 2wet h TYR 506 Cb 0.48 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.56 2wet h TYR 506 CO -0.45 0.46 0.59 -0.07 -1.64 0.00 0.00 178.16 177.04 2wet h LEU 507 N 0.37 0.98 -0.89 2.82 3.38 -1.09 -2.10 115.31 118.77 2wet h LEU 507 Ca 0.11 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.12 2wet h LEU 507 Cb 0.17 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 2wet h LEU 507 CO -0.01 0.67 0.57 0.00 0.09 0.00 0.00 178.44 179.76 2wet h ALA 508 N 1.37 1.21 0.00 1.53 0.00 -0.39 -2.51 119.26 120.47 2wet h ALA 508 Ca 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2wet h ALA 508 Cb -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2wet h ALA 508 CO -0.12 0.36 0.00 0.66 0.00 0.00 0.00 179.25 180.15 2wet h SER 509 N 1.06 0.00 -0.08 0.00 4.64 -0.92 -2.78 113.55 115.46 2wet h SER 509 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2wet h SER 509 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2wet h SER 509 CO -0.15 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.11 2wet n ILE 510 N -2.81 0.11 1.01 0.95 -5.35 -0.97 -5.12 119.36 107.19 2wet n ILE 510 Ca 0.01 -0.56 0.08 0.00 -0.27 0.00 0.00 62.75 62.01 2wet n ILE 510 Cb 0.26 1.28 0.48 0.00 -1.74 0.00 0.00 39.64 39.92 2wet n ILE 510 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79