#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 5.03 -0.15 2.02 -4.36 -1.26 -4.36 121.20 118.12 2wet s ILE 2 Ca 0.00 -0.07 0.01 0.00 -0.26 0.00 0.00 60.65 60.33 2wet s ILE 2 Cb 0.00 -3.78 -0.10 0.00 1.25 0.00 0.00 42.46 39.83 2wet s ILE 2 CO 0.00 -0.45 -0.14 -1.14 0.24 0.00 0.00 174.94 173.46 2wet n ARG 3 N -1.32 0.37 -4.20 0.37 0.63 -1.26 -4.97 116.66 106.29 2wet n ARG 3 Ca -0.02 0.09 -0.16 0.00 -0.92 0.00 0.00 57.85 56.83 2wet n ARG 3 Cb 0.55 -1.29 -0.13 0.00 0.45 0.00 0.00 32.46 32.03 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 -5.49 0.99 -0.06 6.15 1.04 -1.26 -0.76 113.70 114.31 2wet s SER 4 Ca -0.20 -0.33 0.05 0.00 0.48 0.00 0.00 55.95 55.95 2wet s SER 4 Cb 0.05 -0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.12 2wet s SER 4 CO 0.34 -0.02 -0.23 -0.69 0.98 0.00 0.00 173.24 173.62 2wet s VAL 5 N -0.70 1.90 -0.20 5.02 1.01 0.33 -1.99 120.40 125.77 2wet s VAL 5 Ca -0.02 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 60.97 2wet s VAL 5 Cb -0.06 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.70 2wet s VAL 5 CO 0.00 0.53 -0.11 -0.69 0.00 0.00 0.00 175.10 174.83 2wet s VAL 6 N -0.01 2.78 -0.16 2.92 1.01 0.33 -1.76 120.40 125.51 2wet s VAL 6 Ca -0.07 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 2wet s VAL 6 Cb -0.14 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 2wet s VAL 6 CO 0.04 0.47 0.08 -0.63 0.00 0.00 0.00 175.10 175.06 2wet s ILE 7 N 1.39 4.95 -0.31 2.22 1.01 0.39 -0.44 121.20 130.41 2wet s ILE 7 Ca 0.05 0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.68 2wet s ILE 7 Cb -0.14 -3.21 0.04 0.00 0.01 0.00 0.00 42.46 39.17 2wet s ILE 7 CO -0.08 0.50 0.04 -0.69 0.00 0.00 0.00 174.94 174.71 2wet s VAL 8 N 0.00 3.33 0.00 2.92 1.01 -0.31 -0.80 120.40 126.55 2wet s VAL 8 Ca 0.07 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 60.84 2wet s VAL 8 Cb -0.12 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.39 2wet s VAL 8 CO 0.01 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.63 2wet n GLY 9 N 4.71 3.97 2.07 4.51 0.00 0.99 -0.79 105.19 120.65 2wet n GLY 9 Ca -0.13 -1.25 -0.19 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.09 5.65 0.00 -0.02 0.00 -1.26 -4.02 105.19 105.45 2wet n GLY 10 Ca 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.70 -0.33 0.37 -0.02 0.00 -1.26 -4.79 105.19 98.47 2wet n GLY 11 Ca 0.37 -1.75 0.13 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.46 0.81 0.33 2.61 2.02 -1.96 -2.48 112.91 113.78 2wet h THR 12 Ca 0.00 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 2wet h THR 12 Cb 0.00 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 2wet h THR 12 CO 0.00 0.12 -0.16 0.00 0.37 0.00 0.00 175.52 175.85 2wet h ALA 13 N 1.60 -0.45 -0.37 6.16 0.00 -1.92 -1.08 119.26 123.20 2wet h ALA 13 Ca 0.46 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.28 2wet h ALA 13 Cb 0.79 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 2wet h ALA 13 CO -0.21 -0.65 -0.01 0.78 0.00 0.00 0.00 179.25 179.16 2wet h GLY 14 N -0.66 0.36 1.73 0.00 0.00 -1.65 -1.68 103.07 101.18 2wet h GLY 14 Ca -0.05 0.05 -0.20 0.00 0.00 0.00 0.00 47.33 47.14 2wet h GLY 14 CO 0.07 -0.09 -0.86 1.49 0.00 0.00 0.00 176.54 177.15 2wet h TRP 15 N 0.09 0.36 -0.65 5.60 4.06 -1.45 -0.80 115.95 123.16 2wet h TRP 15 Ca 0.18 -0.19 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 2wet h TRP 15 Cb 0.26 -0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 28.35 2wet h TRP 15 CO -0.26 0.99 0.37 0.52 -3.56 0.00 0.00 178.44 176.49 2wet h MET 16 N 0.14 0.89 0.08 0.49 2.86 -1.06 -1.13 114.93 117.20 2wet h MET 16 Ca -0.05 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 2wet h MET 16 Cb 1.48 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.96 2wet h MET 16 CO 0.14 0.66 -0.04 1.15 1.06 0.00 0.00 176.91 179.88 2wet h THR 17 N 0.88 1.02 -0.24 2.22 2.02 -1.05 -0.64 112.91 117.11 2wet h THR 17 Ca 0.23 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 67.13 2wet h THR 17 Cb 0.02 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 2wet h THR 17 CO -0.04 0.08 0.05 0.00 0.37 0.00 0.00 175.52 175.98 2wet h ALA 18 N 0.68 0.25 -0.09 6.16 0.00 -1.10 -1.50 119.26 123.66 2wet h ALA 18 Ca -0.01 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2wet h ALA 18 Cb 0.20 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2wet h ALA 18 CO 0.02 -0.37 -0.02 0.77 0.00 0.00 0.00 179.25 179.64 2wet h SER 19 N 0.14 -0.08 -0.67 0.00 0.02 -1.12 -2.66 113.55 109.18 2wet h SER 19 Ca 0.11 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 2wet h SER 19 Cb 0.11 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 2wet h SER 19 CO -0.14 -0.03 0.15 0.22 -1.14 0.00 0.00 176.83 175.88 2wet h TYR 20 N 0.00 1.14 -0.63 3.45 3.20 -0.90 -0.87 116.97 122.36 2wet h TYR 20 Ca 0.04 -0.14 -0.05 0.00 3.14 0.00 0.00 58.73 61.72 2wet h TYR 20 Cb 0.07 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 37.99 2wet h TYR 20 CO -0.14 0.94 0.17 -0.07 -1.64 0.00 0.00 178.16 177.42 2wet h LEU 21 N 1.00 0.91 -0.24 2.82 3.38 -1.23 0.23 115.31 122.18 2wet h LEU 21 Ca 0.21 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 2wet h LEU 21 Cb 0.39 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2wet h LEU 21 CO 0.01 0.87 -0.39 0.11 0.09 0.00 0.00 178.44 179.13 2wet h LYS 22 N 0.93 0.69 -0.84 1.13 1.79 -1.24 -1.03 116.57 118.00 2wet h LYS 22 Ca 0.20 -0.42 0.06 0.00 -2.18 0.00 0.00 60.65 58.31 2wet h LYS 22 Cb 0.30 0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 30.94 2wet h LYS 22 CO -0.00 1.04 0.53 0.00 -1.08 0.00 0.00 179.45 179.93 2wet h ALA 23 N 0.65 1.15 -0.05 3.86 0.00 -0.83 0.35 119.26 124.39 2wet h ALA 23 Ca 0.02 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2wet h ALA 23 Cb 0.98 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.54 2wet h ALA 23 CO 0.09 0.29 -0.40 0.00 0.00 0.00 0.00 179.25 179.23 2wet h ALA 24 N 1.39 0.11 -0.00 0.00 0.00 -0.44 -3.39 119.26 116.93 2wet h ALA 24 Ca 0.36 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2wet h ALA 24 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2wet h ALA 24 CO -0.16 0.23 -0.18 1.19 0.00 0.00 0.00 179.25 180.33 2wet n PHE 25 N -4.37 0.00 0.00 0.00 3.72 -0.40 -5.07 117.46 111.35 2wet n PHE 25 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 2wet n PHE 25 Cb 0.55 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.09 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 -0.92 0.00 -0.37 4.37 2.03 0.12 -0.66 116.55 121.12 2wet n ASP 26 Ca 0.01 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.43 2wet n ASP 26 Cb 0.08 0.00 0.49 0.00 -0.72 0.00 0.00 41.12 40.97 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 5.48 1.12 -1.47 1.67 5.75 -1.26 -3.61 116.55 124.22 2wet n ASP 27 Ca 0.00 -1.55 0.05 0.00 -0.01 0.00 0.00 54.79 53.28 2wet n ASP 27 Cb 0.00 -0.05 0.28 0.00 -1.03 0.00 0.00 41.12 40.32 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 -0.07 3.71 -3.69 0.11 5.12 0.16 -4.81 116.66 117.20 2wet n ARG 28 Ca 0.17 -2.21 -0.11 0.00 -1.93 0.00 0.00 57.85 53.77 2wet n ARG 28 Cb 0.26 -2.03 -0.09 0.00 -1.16 0.00 0.00 32.46 29.43 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 -2.22 -0.01 -0.20 0.55 1.10 -1.24 -4.95 121.20 114.24 2wet s ILE 29 Ca 0.38 0.04 -0.11 0.00 -0.51 0.00 0.00 60.65 60.45 2wet s ILE 29 Cb 0.29 -0.72 -0.05 0.00 0.15 0.00 0.00 42.46 42.13 2wet s ILE 29 CO 0.11 0.02 0.16 -1.81 -2.11 0.00 0.00 174.94 171.31 2wet s ASP 30 N 0.98 6.24 -0.05 4.50 1.01 0.06 -4.90 116.67 124.51 2wet s ASP 30 Ca -0.06 0.26 0.03 0.00 0.71 0.00 0.00 52.55 53.49 2wet s ASP 30 Cb -0.06 -2.11 0.01 0.00 1.01 0.00 0.00 42.92 41.77 2wet s ASP 30 CO -0.09 0.15 -0.12 -0.69 0.21 0.00 0.00 175.17 174.64 2wet s VAL 31 N 0.47 1.06 -0.06 -1.27 1.01 -1.26 -0.51 120.40 119.84 2wet s VAL 31 Ca 0.09 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.64 2wet s VAL 31 Cb -0.12 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.31 2wet s VAL 31 CO -0.00 0.33 -0.17 -0.89 0.00 0.00 0.00 175.10 174.37 2wet s THR 32 N 0.42 1.44 -0.13 3.92 2.01 -0.72 -0.75 115.64 121.83 2wet s THR 32 Ca -0.09 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.23 2wet s THR 32 Cb -0.13 -1.26 -0.01 0.00 0.01 0.00 0.00 72.50 71.11 2wet s THR 32 CO 0.02 0.42 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.00 2wet s LEU 33 N 0.33 2.54 -0.15 4.42 0.20 0.86 -0.46 118.68 126.42 2wet s LEU 33 Ca -0.11 -0.41 -0.01 0.00 0.69 0.00 0.00 54.13 54.29 2wet s LEU 33 Cb -0.14 -1.56 -0.01 0.00 -0.43 0.00 0.00 46.19 44.04 2wet s LEU 33 CO 0.04 0.14 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.45 2wet s VAL 34 N 0.47 3.17 -0.04 1.68 1.01 0.02 -0.60 120.40 126.11 2wet s VAL 34 Ca -0.11 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 2wet s VAL 34 Cb -0.16 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 33.87 2wet s VAL 34 CO 0.05 0.51 0.15 -1.83 0.00 0.00 0.00 175.10 173.97 2wet s GLU 35 N 0.53 0.29 0.29 2.72 -1.05 -0.23 -0.01 118.70 121.24 2wet s GLU 35 Ca -0.07 -0.02 -0.29 0.00 -0.15 0.00 0.00 54.97 54.43 2wet s GLU 35 Cb -0.15 0.13 -0.10 0.00 -0.44 0.00 0.00 34.13 33.56 2wet s GLU 35 CO 0.04 -0.06 1.42 0.45 0.95 0.00 0.00 175.26 178.06 2wet s SER 36 N -0.47 6.62 0.00 0.83 0.15 -1.11 -1.11 113.70 118.61 2wet s SER 36 Ca -0.06 2.74 0.29 0.00 0.70 0.00 0.00 55.95 59.62 2wet s SER 36 Cb -0.04 -2.64 1.18 0.00 -1.71 0.00 0.00 66.02 62.81 2wet s SER 36 CO 0.01 -0.70 1.84 0.61 1.20 0.00 0.00 173.24 176.20 2wet n GLY 37 N 1.60 -1.08 0.00 9.45 0.00 -1.26 -4.36 105.19 109.54 2wet n GLY 37 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.11 1.19 -4.51 1.61 0.23 -1.26 -4.96 115.26 106.44 2wet n ASN 38 Ca 0.12 -0.26 -0.42 0.00 -0.53 0.00 0.00 54.58 53.50 2wet n ASN 38 Cb 0.29 0.75 -0.09 0.00 -2.08 0.00 0.00 39.78 38.65 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 -0.99 5.07 0.55 3.53 1.01 -1.26 -5.05 120.40 123.27 2wet s VAL 39 Ca 0.00 -0.16 -0.20 0.00 0.00 0.00 0.00 61.98 61.63 2wet s VAL 39 Cb 0.00 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 2wet s VAL 39 CO 0.00 -0.35 1.18 -0.13 0.00 0.00 0.00 175.10 175.80 2wet s ARG 40 N 2.20 3.27 0.79 2.72 1.81 -1.26 -4.76 118.95 123.73 2wet s ARG 40 Ca 0.14 1.76 -0.12 0.00 -1.72 0.00 0.00 55.73 55.79 2wet s ARG 40 Cb -0.16 -2.06 0.07 0.00 -0.45 0.00 0.00 34.95 32.35 2wet s ARG 40 CO 0.14 -0.95 1.14 1.03 -0.68 0.00 0.00 175.30 175.97 2wet s ARG 41 N -3.18 1.90 0.36 3.54 0.52 -1.26 -4.91 118.95 115.91 2wet s ARG 41 Ca 0.73 1.46 0.14 0.00 -0.52 0.00 0.00 55.73 57.54 2wet s ARG 41 Cb -0.28 -1.83 1.01 0.00 0.52 0.00 0.00 34.95 34.37 2wet s ARG 41 CO 0.32 -1.96 1.73 0.97 0.02 0.00 0.00 175.30 176.38 2wet h ILE 42 N -1.03 0.49 0.00 1.52 6.09 -1.99 -3.45 117.51 119.14 2wet h ILE 42 Ca -0.45 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 62.88 2wet h ILE 42 Cb 1.26 -0.01 0.00 0.00 0.47 0.00 0.00 36.82 38.54 2wet h ILE 42 CO 0.48 0.08 0.00 0.61 -3.07 0.00 0.00 178.15 176.26 2wet n GLY 43 N -1.38 0.70 3.50 8.18 0.00 -1.26 -5.03 105.19 109.90 2wet n GLY 43 Ca 0.27 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.03 2wet n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wet s VAL 44 N -2.40 0.43 0.00 1.61 -7.23 -1.26 -4.84 120.40 106.71 2wet s VAL 44 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2wet s VAL 44 Cb 0.00 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.64 2wet s VAL 44 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 2wet n GLY 45 N -0.93 0.76 0.00 2.32 0.00 -1.26 -4.93 105.19 101.16 2wet n GLY 45 Ca -0.05 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 0.89 -4.39 1.61 1.02 -1.26 -4.54 120.64 113.97 2wet n GLU 46 Ca 0.00 -0.32 -0.29 0.00 -0.02 0.00 0.00 57.16 56.53 2wet n GLU 46 Cb 0.00 -0.81 -0.13 0.00 -0.02 0.00 0.00 31.44 30.48 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 -0.22 2.38 0.32 0.62 0.00 -1.26 -0.78 121.76 122.82 2wet s ALA 47 Ca 0.00 -1.49 0.04 0.00 0.00 0.00 0.00 51.96 50.51 2wet s ALA 47 Cb 0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 23.12 22.69 2wet s ALA 47 CO 0.00 0.52 0.06 0.95 0.00 0.00 0.00 175.76 177.28 2wet s THR 48 N -1.15 1.19 0.32 0.00 -4.23 -0.30 -4.79 115.64 106.68 2wet s THR 48 Ca 0.15 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.72 2wet s THR 48 Cb -0.10 -2.78 -0.01 0.00 1.34 0.00 0.00 72.50 70.95 2wet s THR 48 CO 0.06 -0.01 0.44 0.12 -0.54 0.00 0.00 174.62 174.70 2wet s PHE 49 N -3.30 3.15 0.55 3.99 5.36 -1.25 -4.45 117.98 122.04 2wet s PHE 49 Ca 0.36 -0.19 0.23 0.00 -0.96 0.00 0.00 56.93 56.38 2wet s PHE 49 Cb 0.09 -1.91 1.52 0.00 -0.34 0.00 0.00 43.02 42.37 2wet s PHE 49 CO 0.15 0.07 2.15 0.66 -1.46 0.00 0.00 175.22 176.80 2wet h SER 50 N 0.96 0.00 0.33 6.13 4.64 -1.89 -2.25 113.55 121.48 2wet h SER 50 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2wet h SER 50 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2wet h SER 50 CO 0.54 0.00 0.00 0.71 -0.87 0.00 0.00 176.83 177.21 2wet h THR 51 N 0.00 0.00 -0.01 2.95 1.35 -1.93 -3.34 112.91 111.93 2wet h THR 51 Ca 0.05 -0.16 -0.03 0.00 -0.55 0.00 0.00 66.41 65.71 2wet h THR 51 Cb 0.23 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.76 2wet h THR 51 CO -0.00 0.00 -0.15 1.62 -0.25 0.00 0.00 175.52 176.73 2wet h VAL 52 N 0.00 1.12 -0.94 6.82 3.04 -1.78 -1.53 116.25 122.98 2wet h VAL 52 Ca 0.00 -0.56 0.20 0.00 -1.01 0.00 0.00 66.70 65.33 2wet h VAL 52 Cb 0.17 1.28 -0.08 0.00 -2.01 0.00 0.00 31.29 30.65 2wet h VAL 52 CO 0.00 0.16 0.61 0.08 -1.01 0.00 0.00 177.57 177.41 2wet h ARG 53 N 0.02 0.50 -0.07 4.17 0.11 -1.83 -0.74 114.38 116.54 2wet h ARG 53 Ca 0.00 -0.03 -0.09 0.00 0.10 0.00 0.00 59.98 59.97 2wet h ARG 53 Cb 0.29 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.24 2wet h ARG 53 CO 0.02 0.33 -0.35 0.45 0.10 0.00 0.00 179.97 180.52 2wet h HIS 54 N 0.52 0.15 -0.04 4.08 3.86 -1.57 -0.08 115.15 122.07 2wet h HIS 54 Ca 0.50 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.67 2wet h HIS 54 Cb 1.08 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 29.52 2wet h HIS 54 CO -0.00 0.47 -0.01 0.35 0.86 0.00 0.00 177.93 179.60 2wet h PHE 55 N 0.12 0.08 -0.53 2.45 3.57 -1.25 -1.45 116.94 119.93 2wet h PHE 55 Ca 0.01 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 2wet h PHE 55 Cb 0.68 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 2wet h PHE 55 CO 0.01 0.41 -0.05 0.74 -2.23 0.00 0.00 178.31 177.19 2wet h PHE 56 N -0.27 1.03 -0.88 0.41 0.04 -1.33 -2.35 116.94 113.59 2wet h PHE 56 Ca 0.01 -0.18 0.04 0.00 2.80 0.00 0.00 57.97 60.64 2wet h PHE 56 Cb 0.38 -0.27 -0.05 0.00 2.20 0.00 0.00 35.95 38.21 2wet h PHE 56 CO 0.05 0.95 0.56 -0.44 -0.60 0.00 0.00 178.31 178.83 2wet h ASP 57 N 0.86 0.93 -0.49 2.17 3.32 -1.00 -0.03 116.42 122.17 2wet h ASP 57 Ca 0.15 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 2wet h ASP 57 Cb 0.58 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2wet h ASP 57 CO 0.03 0.63 -0.03 0.22 -1.72 0.00 0.00 179.24 178.38 2wet h TYR 58 N 1.08 1.02 0.00 4.55 3.20 -0.95 -0.97 116.97 124.90 2wet h TYR 58 Ca 0.36 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2wet h TYR 58 Cb 0.04 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.04 2wet h TYR 58 CO -0.02 0.93 0.00 1.28 -1.64 0.00 0.00 178.16 178.71 2wet n LEU 59 N -4.18 0.44 0.00 2.82 4.32 -0.91 -4.90 117.00 114.59 2wet n LEU 59 Ca 0.02 0.59 0.00 0.00 -0.02 0.00 0.00 56.01 56.61 2wet n LEU 59 Cb 0.34 -0.52 0.00 0.00 -1.62 0.00 0.00 43.42 41.62 2wet n LEU 59 CO 0.43 -0.38 0.00 0.61 -1.22 0.00 0.00 177.39 176.83 2wet n GLY 60 N 0.26 0.59 3.25 -0.72 0.00 -0.37 -5.04 105.19 103.15 2wet n GLY 60 Ca 0.03 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 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 3.08 0.42 0.99 1.43 -0.08 -5.01 118.68 119.50 2wet s LEU 61 Ca 0.00 -0.68 -0.24 0.00 -1.03 0.00 0.00 54.13 52.19 2wet s LEU 61 Cb 0.00 -1.70 -0.09 0.00 0.03 0.00 0.00 46.19 44.44 2wet s LEU 61 CO 0.00 -0.09 1.07 -0.62 0.23 0.00 0.00 176.35 176.94 2wet s ASP 62 N 1.39 6.62 0.44 2.29 2.15 -1.26 -4.13 116.67 124.17 2wet s ASP 62 Ca 0.03 2.08 0.14 0.00 0.43 0.00 0.00 52.55 55.23 2wet s ASP 62 Cb -0.16 -2.59 1.04 0.00 -0.30 0.00 0.00 42.92 40.92 2wet s ASP 62 CO -0.04 -0.59 1.98 1.05 -0.17 0.00 0.00 175.17 177.40 2wet h GLU 63 N 2.36 0.38 0.00 4.34 4.11 -1.99 0.88 114.58 124.66 2wet h GLU 63 Ca -0.49 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 58.91 2wet h GLU 63 Cb 1.22 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 2wet h GLU 63 CO 0.62 0.25 -0.07 0.00 0.07 0.00 0.00 179.01 179.87 2wet h ARG 64 N 0.39 0.00 0.05 1.06 3.08 -1.96 -1.12 114.38 115.88 2wet h ARG 64 Ca 0.27 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.10 2wet h ARG 64 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 2wet h ARG 64 CO -0.07 0.07 -1.16 1.49 -1.07 0.00 0.00 179.97 179.23 2wet h GLU 65 N 0.00 0.10 0.18 0.04 4.57 -1.22 -3.42 114.58 114.83 2wet h GLU 65 Ca -0.00 -0.18 -0.34 0.00 -1.18 0.00 0.00 59.36 57.66 2wet h GLU 65 Cb 0.19 0.07 0.01 0.00 -0.16 0.00 0.00 28.75 28.85 2wet h GLU 65 CO 0.01 1.08 -1.72 0.11 -1.18 0.00 0.00 179.01 177.31 2wet h TRP 66 N -0.68 0.68 0.21 0.92 5.08 -1.31 -3.38 115.95 117.47 2wet h TRP 66 Ca -0.28 -0.50 0.00 0.00 1.08 0.00 0.00 58.89 59.19 2wet h TRP 66 Cb 1.47 -0.03 -0.02 0.00 -3.00 0.00 0.00 29.16 27.58 2wet h TRP 66 CO 0.14 1.67 -0.21 1.25 -1.28 0.00 0.00 178.44 180.01 2wet h LEU 67 N 0.06 -0.55 -2.19 0.11 5.85 -1.46 -0.24 115.31 116.89 2wet h LEU 67 Ca -0.34 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 2wet h LEU 67 Cb 2.06 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 43.27 2wet h LEU 67 CO 0.16 -0.31 -0.06 -0.65 -0.34 0.00 0.00 178.44 177.24 2wet h PRO 68 N -0.45 0.00 0.00 5.25 0.11 -1.79 -1.02 132.00 134.11 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 0.42 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 2wet h PRO 68 CO -0.05 0.06 -0.61 -0.09 -0.21 0.00 0.00 178.00 177.10 2wet h ARG 69 N 0.00 0.00 -0.66 1.05 9.65 -1.58 -2.60 114.38 120.24 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 0.19 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 2wet h ARG 69 CO 0.01 0.30 0.00 0.00 2.80 0.00 0.00 179.97 183.08 2wet n ALA 71 N 1.26 -0.91 -2.49 0.00 0.00 -0.50 -1.65 120.51 116.22 2wet n ALA 71 Ca 0.25 0.21 -0.22 0.00 0.00 0.00 0.00 53.44 53.67 2wet n ALA 71 Cb 0.77 -3.12 0.13 0.00 0.00 0.00 0.00 19.45 17.23 2wet n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wet n GLY 72 N -1.29 0.30 0.00 0.00 0.00 -0.53 -1.61 105.19 102.06 2wet n GLY 72 Ca -0.12 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.92 2wet n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wet n GLY 73 N -2.63 3.90 3.83 -0.02 0.00 1.00 -3.95 105.19 107.32 2wet n GLY 73 Ca 0.16 -1.56 -0.35 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.68 3.45 -0.33 1.61 1.51 -1.26 -1.34 117.35 118.32 2wet s TYR 74 Ca 0.00 0.38 0.03 0.00 -1.01 0.00 0.00 57.07 56.47 2wet s TYR 74 Cb 0.00 -1.86 0.09 0.00 -0.11 0.00 0.00 41.96 40.09 2wet s TYR 74 CO 0.00 0.64 0.04 0.21 -1.11 0.00 0.00 175.55 175.33 2wet s LYS 75 N -1.27 1.67 0.04 -0.62 2.20 -0.14 -3.27 119.74 118.35 2wet s LYS 75 Ca 0.18 -1.77 0.27 0.00 -0.36 0.00 0.00 55.97 54.29 2wet s LYS 75 Cb -0.12 -3.19 0.86 0.00 -1.51 0.00 0.00 37.83 33.87 2wet s LYS 75 CO 0.08 -0.88 1.68 1.28 -0.36 0.00 0.00 175.35 177.15 2wet n LEU 76 N 4.32 0.33 0.00 5.43 4.77 0.62 -0.65 117.00 131.82 2wet n LEU 76 Ca 0.00 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 2wet n LEU 76 Cb 0.42 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2wet n LEU 76 CO 0.23 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 2wet n GLY 77 N 1.46 -0.87 3.18 -0.72 0.00 -1.26 -1.41 105.19 105.57 2wet n GLY 77 Ca 0.06 -1.15 -0.28 0.00 0.00 0.00 0.00 46.02 44.65 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 1.68 -0.30 -0.61 1.01 0.22 -2.37 121.20 117.82 2wet s ILE 78 Ca 0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 60.65 59.66 2wet s ILE 78 Cb 0.00 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 2wet s ILE 78 CO 0.00 0.47 0.33 -0.60 0.00 0.00 0.00 174.94 175.14 2wet s ARG 79 N 0.04 3.81 -0.40 2.79 3.52 0.12 0.25 118.95 129.07 2wet s ARG 79 Ca -0.06 -0.24 -0.16 0.00 -0.13 0.00 0.00 55.73 55.14 2wet s ARG 79 Cb -0.13 -3.72 0.02 0.00 -1.56 0.00 0.00 34.95 29.55 2wet s ARG 79 CO 0.03 -0.36 0.37 -0.06 -0.81 0.00 0.00 175.30 174.47 2wet s PHE 80 N 1.97 3.20 -0.12 5.12 0.08 -0.26 -0.27 117.98 127.71 2wet s PHE 80 Ca 0.12 -0.41 -0.03 0.00 0.12 0.00 0.00 56.93 56.73 2wet s PHE 80 Cb -0.16 -2.74 -0.03 0.00 -0.57 0.00 0.00 43.02 39.51 2wet s PHE 80 CO 0.11 -0.62 -0.01 -1.21 -0.10 0.00 0.00 175.22 173.39 2wet s GLU 81 N 1.94 3.36 -0.44 0.44 2.02 -0.38 -2.52 118.70 123.12 2wet s GLU 81 Ca 0.09 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.64 2wet s GLU 81 Cb -0.18 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 31.17 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 2.84 -4.05 0.10 -0.19 3.02 -0.06 -0.86 115.26 116.06 2wet n ASN 82 Ca -0.18 0.10 -0.05 0.00 -0.03 0.00 0.00 54.58 54.43 2wet n ASN 82 Cb 0.53 -1.92 0.09 0.00 -0.61 0.00 0.00 39.78 37.88 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 0.21 0.00 3.10 4.06 -1.84 -3.42 115.95 118.05 2wet h TRP 83 Ca -0.09 -0.09 0.00 0.00 2.06 0.00 0.00 58.89 60.77 2wet h TRP 83 Cb 0.45 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.58 2wet h TRP 83 CO 0.23 0.79 0.00 0.43 -3.56 0.00 0.00 178.44 176.34 2wet n SER 84 N -3.78 0.00 -4.74 -3.49 7.64 -1.26 -2.58 113.62 105.41 2wet n SER 84 Ca -0.02 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.45 2wet n SER 84 Cb 0.68 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.84 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 0.07 4.45 0.30 1.43 0.41 -1.26 -3.79 118.70 120.32 2wet s GLU 85 Ca 0.00 1.97 -0.29 0.00 -0.41 0.00 0.00 54.97 56.24 2wet s GLU 85 Cb 0.00 -3.21 -0.10 0.00 -1.78 0.00 0.00 34.13 29.04 2wet s GLU 85 CO 0.00 -0.15 1.19 -2.14 -0.49 0.00 0.00 175.26 173.67 2wet s PRO 86 N -0.36 4.52 0.00 0.39 0.02 -1.26 -2.36 135.00 135.95 2wet s PRO 86 Ca 0.54 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.54 2wet s PRO 86 Cb -0.35 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.04 2wet s PRO 86 CO 0.39 0.04 0.00 0.41 -0.33 0.00 0.00 177.00 177.51 2wet n GLY 87 N 1.02 1.27 3.92 0.52 0.00 -1.26 -5.01 105.19 105.64 2wet n GLY 87 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.16 3.58 0.20 1.61 0.41 -1.00 -4.90 118.70 118.45 2wet s GLU 88 Ca 0.00 -0.14 -0.18 0.00 -0.41 0.00 0.00 54.97 54.24 2wet s GLU 88 Cb 0.00 -2.70 0.03 0.00 -1.78 0.00 0.00 34.13 29.68 2wet s GLU 88 CO 0.00 0.25 0.54 1.52 -0.49 0.00 0.00 175.26 177.08 2wet s TYR 89 N -2.06 -0.12 0.24 1.61 -0.85 -1.26 -0.88 117.35 114.03 2wet s TYR 89 Ca 0.42 -0.23 -0.13 0.00 -0.52 0.00 0.00 57.07 56.61 2wet s TYR 89 Cb -0.11 0.41 -0.00 0.00 0.38 0.00 0.00 41.96 42.64 2wet s TYR 89 CO 0.31 -0.94 0.47 -0.59 -1.52 0.00 0.00 175.55 173.28 2wet s PHE 90 N -3.88 0.33 -0.08 -3.49 -0.12 -1.05 -5.01 117.98 104.69 2wet s PHE 90 Ca 0.10 -0.69 -0.00 0.00 -0.05 0.00 0.00 56.93 56.28 2wet s PHE 90 Cb -0.01 0.20 -0.03 0.00 -0.63 0.00 0.00 43.02 42.54 2wet s PHE 90 CO -0.02 -0.98 -0.04 0.71 -0.05 0.00 0.00 175.22 174.85 2wet s TYR 91 N -4.01 3.04 -0.49 3.49 2.02 -1.26 -1.10 117.35 119.05 2wet s TYR 91 Ca 0.21 0.10 -0.11 0.00 -0.37 0.00 0.00 57.07 56.90 2wet s TYR 91 Cb -0.01 -1.75 0.12 0.00 -0.40 0.00 0.00 41.96 39.93 2wet s TYR 91 CO 0.08 0.40 0.39 -1.58 -1.57 0.00 0.00 175.55 173.26 2wet s HIS 92 N -0.85 3.37 0.26 2.71 5.65 0.14 -4.84 115.29 121.73 2wet s HIS 92 Ca 0.13 -1.69 0.05 0.00 0.25 0.00 0.00 55.06 53.79 2wet s HIS 92 Cb -0.11 -3.56 -0.03 0.00 -1.18 0.00 0.00 32.58 27.70 2wet s HIS 92 CO 0.02 -0.99 0.39 -1.25 -0.65 0.00 0.00 174.74 172.26 2wet s PRO 93 N 1.43 3.42 -1.21 2.88 0.04 -1.26 -0.61 135.00 139.68 2wet s PRO 93 Ca 0.05 -0.73 -0.15 0.00 0.04 0.00 0.00 61.00 60.20 2wet s PRO 93 Cb -0.27 -2.86 0.14 0.00 0.04 0.00 0.00 34.50 31.56 2wet s PRO 93 CO 0.00 0.36 1.48 -0.06 0.04 0.00 0.00 177.00 178.83 2wet s PHE 94 N -2.04 3.31 -0.28 0.56 0.08 -0.50 -4.91 117.98 114.20 2wet s PHE 94 Ca 0.36 -1.96 -0.15 0.00 0.12 0.00 0.00 56.93 55.29 2wet s PHE 94 Cb -0.09 -4.41 0.08 0.00 -0.57 0.00 0.00 43.02 38.03 2wet s PHE 94 CO 0.30 -1.50 0.68 -2.00 -0.10 0.00 0.00 175.22 172.60 2wet s GLU 95 N 2.27 0.69 0.31 0.44 2.12 -1.26 -3.02 118.70 120.25 2wet s GLU 95 Ca 0.45 1.24 -0.27 0.00 0.36 0.00 0.00 54.97 56.75 2wet s GLU 95 Cb -0.01 0.21 -0.10 0.00 0.26 0.00 0.00 34.13 34.49 2wet s GLU 95 CO 0.01 -0.16 0.95 1.03 -0.54 0.00 0.00 175.26 176.55 2wet s ARG 96 N 1.76 4.61 0.23 4.30 0.52 -1.08 -4.98 118.95 124.31 2wet s ARG 96 Ca -0.10 1.36 -0.30 0.00 -0.52 0.00 0.00 55.73 56.17 2wet s ARG 96 Cb -0.06 -2.86 -0.09 0.00 0.52 0.00 0.00 34.95 32.46 2wet s ARG 96 CO -0.20 0.30 1.32 -0.51 0.02 0.00 0.00 175.30 176.23 2wet s LEU 97 N -1.95 4.42 0.65 2.53 1.43 -1.26 -5.03 118.68 119.46 2wet s LEU 97 Ca 0.49 2.47 -0.15 0.00 -1.03 0.00 0.00 54.13 55.91 2wet s LEU 97 Cb -0.20 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.40 2wet s LEU 97 CO 0.25 -0.54 1.10 -0.13 0.23 0.00 0.00 176.35 177.26 2wet s ARG 98 N -0.42 2.89 -0.08 1.70 0.52 -1.26 -4.86 118.95 117.44 2wet s ARG 98 Ca 0.56 1.37 0.05 0.00 -0.52 0.00 0.00 55.73 57.19 2wet s ARG 98 Cb -0.38 -1.96 -0.01 0.00 0.52 0.00 0.00 34.95 33.12 2wet s ARG 98 CO 0.41 -1.18 -0.24 0.08 0.02 0.00 0.00 175.30 174.39 2wet s VAL 99 N -2.34 2.10 -0.11 3.52 1.01 -1.26 -1.51 120.40 121.80 2wet s VAL 99 Ca 0.67 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2wet s VAL 99 Cb -0.20 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.43 2wet s VAL 99 CO 0.40 0.57 -0.09 -0.69 0.00 0.00 0.00 175.10 175.29 2wet s VAL 100 N 0.06 1.13 -1.55 2.92 1.01 0.28 -4.81 120.40 119.43 2wet s VAL 100 Ca -0.10 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 2wet s VAL 100 Cb -0.16 -1.11 0.09 0.00 0.00 0.00 0.00 36.38 35.21 2wet s VAL 100 CO 0.06 0.38 0.88 0.47 0.00 0.00 0.00 175.10 176.89 2wet n ASP 101 N 4.76 -3.89 0.00 3.32 10.43 -1.26 -1.96 116.55 127.94 2wet n ASP 101 Ca -0.15 -0.85 0.00 0.00 2.57 0.00 0.00 54.79 56.36 2wet n ASP 101 Cb 0.50 -3.57 0.00 0.00 1.84 0.00 0.00 41.12 39.90 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 -1.63 1.40 3.23 0.44 0.00 -1.26 -5.04 105.19 102.33 2wet n GLY 102 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.88 2.06 0.87 1.61 0.40 -0.83 -5.11 117.98 114.09 2wet s PHE 103 Ca 0.00 -0.49 -0.11 0.00 -0.60 0.00 0.00 56.93 55.72 2wet s PHE 103 Cb 0.00 -1.34 0.12 0.00 0.51 0.00 0.00 43.02 42.30 2wet s PHE 103 CO 0.00 -0.11 1.09 0.54 0.70 0.00 0.00 175.22 177.44 2wet s ASN 104 N -0.31 3.65 0.49 1.36 2.20 -1.26 -0.56 114.94 120.51 2wet s ASN 104 Ca 0.03 1.56 0.22 0.00 -0.94 0.00 0.00 52.86 53.73 2wet s ASN 104 Cb -0.11 -2.24 1.26 0.00 -2.00 0.00 0.00 41.25 38.17 2wet s ASN 104 CO 0.01 -2.54 2.03 0.24 -2.94 0.00 0.00 177.10 173.90 2wet h MET 105 N -1.48 0.00 -0.23 3.55 2.86 -1.60 -1.92 114.93 116.11 2wet h MET 105 Ca -0.48 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.17 2wet h MET 105 Cb 1.27 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.92 2wet h MET 105 CO 0.54 0.16 0.12 0.00 1.06 0.00 0.00 176.91 178.78 2wet h ALA 106 N 1.84 0.28 -0.30 6.32 0.00 -1.92 0.29 119.26 125.77 2wet h ALA 106 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2wet h ALA 106 Cb 0.35 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2wet h ALA 106 CO 0.02 -0.28 0.09 0.93 0.00 0.00 0.00 179.25 180.01 2wet h GLU 107 N 0.26 0.21 -0.54 0.00 4.39 -1.72 -2.06 114.58 115.12 2wet h GLU 107 Ca 0.09 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.71 2wet h GLU 107 Cb 0.01 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 2wet h GLU 107 CO -0.05 0.14 0.06 -1.49 -1.16 0.00 0.00 179.01 176.51 2wet h TRP 108 N 0.22 0.91 -0.73 4.33 4.06 -1.29 -2.51 115.95 120.93 2wet h TRP 108 Ca 0.14 -0.11 0.04 0.00 2.06 0.00 0.00 58.89 61.01 2wet h TRP 108 Cb 0.12 -0.26 -0.05 0.00 -1.00 0.00 0.00 29.16 27.98 2wet h TRP 108 CO -0.15 0.80 0.45 2.35 -3.56 0.00 0.00 178.44 178.33 2wet h TRP 109 N 0.82 0.84 -0.26 0.49 7.01 0.08 0.30 115.95 125.23 2wet h TRP 109 Ca 0.17 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.15 2wet h TRP 109 Cb 0.40 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.17 2wet h TRP 109 CO 0.02 0.46 -0.02 -0.07 -2.79 0.00 0.00 178.44 176.04 2wet h LEU 110 N 0.86 0.37 0.11 0.65 3.38 -0.97 -0.80 115.31 118.91 2wet h LEU 110 Ca 0.30 -0.06 -0.22 0.00 0.09 0.00 0.00 57.88 57.99 2wet h LEU 110 Cb 0.07 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2wet h LEU 110 CO -0.13 0.45 -1.08 0.00 0.09 0.00 0.00 178.44 177.77 2wet h ALA 111 N 1.60 0.07 0.00 1.53 0.00 -0.90 -3.42 119.26 118.14 2wet h ALA 111 Ca 0.09 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.09 2wet h ALA 111 Cb 0.29 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2wet h ALA 111 CO 0.01 0.59 0.00 1.33 0.00 0.00 0.00 179.25 181.18 2wet n VAL 112 N -4.08 0.00 0.00 0.00 0.24 0.96 -5.05 118.33 110.40 2wet n VAL 112 Ca -0.20 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 2wet n VAL 112 Cb 0.83 1.37 0.00 0.00 -1.47 0.00 0.00 33.84 34.57 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 0.05 -2.71 3.61 7.63 0.00 -0.31 -5.00 105.19 108.46 2wet n GLY 113 Ca 0.00 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.79 2.26 0.08 1.61 1.04 -1.26 -5.10 113.70 110.54 2wet s SER 118 Ca 0.00 1.58 -0.35 0.00 0.48 0.00 0.00 55.95 57.66 2wet s SER 118 Cb 0.00 -2.25 -0.17 0.00 0.10 0.00 0.00 66.02 63.70 2wet s SER 118 CO 0.00 -3.41 1.59 0.15 0.98 0.00 0.00 173.24 172.54 2wet h PHE 119 N -2.08 -1.18 -0.75 5.02 3.57 -1.99 -0.94 116.94 118.58 2wet h PHE 119 Ca -0.54 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 60.99 2wet h PHE 119 Cb 1.31 0.44 -0.04 0.00 2.79 0.00 0.00 35.95 40.44 2wet h PHE 119 CO 0.36 -0.64 0.50 0.66 -2.23 0.00 0.00 178.31 176.95 2wet h SER 120 N -1.02 0.80 -0.41 0.41 4.64 -1.96 -1.10 113.55 114.90 2wet h SER 120 Ca -0.08 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.14 2wet h SER 120 Cb 0.85 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 2wet h SER 120 CO 0.04 0.55 -0.11 -0.08 -0.87 0.00 0.00 176.83 176.37 2wet h GLU 121 N 0.93 0.81 -0.15 4.77 4.81 -1.81 -1.92 114.58 122.01 2wet h GLU 121 Ca 0.30 -0.31 -0.16 0.00 -0.13 0.00 0.00 59.36 59.06 2wet h GLU 121 Cb 0.03 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2wet h GLU 121 CO -0.08 0.93 -0.56 0.00 -0.73 0.00 0.00 179.01 178.57 2wet h ALA 122 N 0.85 0.73 0.00 2.92 0.00 -0.68 -3.38 119.26 119.71 2wet h ALA 122 Ca 0.10 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2wet h ALA 122 Cb 0.64 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2wet h ALA 122 CO 0.04 0.70 -1.71 0.00 0.00 0.00 0.00 179.25 178.28 2wet s TYR 124 N -3.41 1.50 0.24 0.00 2.02 -0.73 -4.79 117.35 112.18 2wet s TYR 124 Ca -0.04 -0.60 -0.07 0.00 -0.37 0.00 0.00 57.07 55.99 2wet s TYR 124 Cb 0.14 -1.12 0.22 0.00 -0.40 0.00 0.00 41.96 40.80 2wet s TYR 124 CO 0.89 -0.33 1.89 -0.07 -1.57 0.00 0.00 175.55 176.35 2wet h LEU 125 N 7.22 1.12 -1.93 -1.29 3.38 -1.90 -2.80 115.31 119.11 2wet h LEU 125 Ca -0.31 -0.07 0.20 0.00 0.09 0.00 0.00 57.88 57.79 2wet h LEU 125 Cb 1.18 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 2wet h LEU 125 CO 0.46 0.86 0.51 0.74 0.09 0.00 0.00 178.44 181.10 2wet h THR 126 N 1.29 0.67 -0.51 0.22 2.02 -1.94 -1.12 112.91 113.53 2wet h THR 126 Ca 0.34 -0.02 0.04 0.00 0.77 0.00 0.00 66.41 67.54 2wet h THR 126 Cb -0.06 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 66.91 2wet h THR 126 CO -0.06 0.01 0.26 -0.74 0.37 0.00 0.00 175.52 175.36 2wet h HIS 127 N 0.06 0.48 -0.36 3.16 -0.00 -1.75 -0.81 115.15 115.92 2wet h HIS 127 Ca 0.34 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.67 2wet h HIS 127 Cb 1.28 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 28.53 2wet h HIS 127 CO -0.00 0.24 -0.01 0.00 -0.00 0.00 0.00 177.93 178.16 2wet h ARG 128 N 0.51 0.64 -0.95 5.26 2.47 -1.37 -1.75 114.38 119.20 2wet h ARG 128 Ca 0.22 -0.21 0.03 0.00 -1.26 0.00 0.00 59.98 58.76 2wet h ARG 128 Cb 0.12 -0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.33 2wet h ARG 128 CO -0.15 0.76 0.62 -0.07 0.56 0.00 0.00 179.97 181.69 2wet h LEU 129 N 0.45 1.03 -0.12 3.04 4.07 -1.33 0.54 115.31 122.99 2wet h LEU 129 Ca 0.10 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 2wet h LEU 129 Cb 0.48 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 41.98 2wet h LEU 129 CO 0.02 0.71 0.00 0.00 -1.08 0.00 0.00 178.44 178.09 2wet h GLU 131 N -0.05 1.10 -0.24 0.00 4.39 -0.81 -1.93 114.58 117.03 2wet h GLU 131 Ca 0.03 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2wet h GLU 131 Cb 0.35 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2wet h GLU 131 CO 0.01 0.73 0.00 0.00 -1.16 0.00 0.00 179.01 178.58 2wet n ALA 132 N -2.40 2.49 -3.80 3.43 0.00 0.13 -4.96 120.51 115.40 2wet n ALA 132 Ca 0.10 -0.66 -0.27 0.00 0.00 0.00 0.00 53.44 52.61 2wet n ALA 132 Cb 0.05 -1.02 0.04 0.00 0.00 0.00 0.00 19.45 18.52 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 0.67 -6.10 -2.20 0.00 5.02 -0.28 -4.93 118.16 110.35 2wet n LYS 133 Ca 0.17 0.66 -0.31 0.00 -2.02 0.00 0.00 58.31 56.81 2wet n LYS 133 Cb 0.41 -5.56 -0.01 0.00 -0.02 0.00 0.00 35.03 29.84 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 -6.44 3.75 0.44 1.97 1.81 0.26 -0.86 118.95 119.88 2wet s ARG 134 Ca 0.56 0.79 -0.13 0.00 -1.72 0.00 0.00 55.73 55.22 2wet s ARG 134 Cb -0.27 -2.14 -0.07 0.00 -0.45 0.00 0.00 34.95 32.02 2wet s ARG 134 CO 0.80 -0.39 0.85 0.00 -0.68 0.00 0.00 175.30 175.88 2wet s ALA 135 N -2.87 3.23 -2.00 2.13 0.00 -0.34 -4.15 121.76 117.76 2wet s ALA 135 Ca 0.56 -0.02 0.17 0.00 0.00 0.00 0.00 51.96 52.67 2wet s ALA 135 Cb -0.10 -2.88 1.02 0.00 0.00 0.00 0.00 23.12 21.16 2wet s ALA 135 CO 0.43 -0.06 1.66 -0.35 0.00 0.00 0.00 175.76 177.43 2wet n PRO 136 N -1.30 1.01 -4.40 0.00 -0.04 -1.26 -4.76 135.00 124.24 2wet n PRO 136 Ca 0.04 -0.01 -0.21 0.00 -0.04 0.00 0.00 63.50 63.28 2wet n PRO 136 Cb 0.54 -1.27 -0.13 0.00 -0.04 0.00 0.00 33.50 32.60 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 1.04 0.84 0.54 0.52 -1.26 -1.81 118.95 116.82 2wet s ARG 137 Ca 0.26 -0.86 -0.11 0.00 -0.52 0.00 0.00 55.73 54.50 2wet s ARG 137 Cb 0.12 -1.10 0.09 0.00 0.52 0.00 0.00 34.95 34.58 2wet s ARG 137 CO 0.20 0.27 1.09 -1.64 0.02 0.00 0.00 175.30 175.24 2wet s MET 138 N -1.28 1.74 0.51 3.54 -1.94 -0.69 -4.37 119.30 116.83 2wet s MET 138 Ca 0.03 0.75 0.20 0.00 -1.71 0.00 0.00 55.69 54.95 2wet s MET 138 Cb -0.08 -1.87 1.33 0.00 2.01 0.00 0.00 34.83 36.22 2wet s MET 138 CO 0.02 -1.88 2.12 -0.07 -0.01 0.00 0.00 175.02 175.19 2wet h LEU 139 N -1.29 0.00 0.00 -0.03 3.38 -1.91 0.43 115.31 115.90 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 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2wet h LEU 139 CO 0.57 0.07 0.00 -0.90 0.09 0.00 0.00 178.44 178.26 2wet n ASP 140 N -4.23 0.00 0.00 -0.43 5.68 -1.26 -4.89 116.55 111.42 2wet n ASP 140 Ca -0.03 -0.91 0.00 0.00 -0.50 0.00 0.00 54.79 53.35 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 0.63 0.98 3.77 6.12 0.00 0.14 -5.04 105.19 111.79 2wet n GLY 141 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.97 6.91 0.44 1.61 1.04 -1.26 -4.78 113.70 114.69 2wet s SER 142 Ca 0.00 2.28 -0.24 0.00 0.48 0.00 0.00 55.95 58.47 2wet s SER 142 Cb 0.00 -2.62 -0.08 0.00 0.10 0.00 0.00 66.02 63.43 2wet s SER 142 CO 0.00 -0.40 1.20 -0.22 0.98 0.00 0.00 173.24 174.81 2wet s LEU 143 N -2.01 4.09 0.28 2.42 2.96 -1.26 -1.70 118.68 123.47 2wet s LEU 143 Ca 0.51 2.41 -0.01 0.00 -0.22 0.00 0.00 54.13 56.82 2wet s LEU 143 Cb -0.30 -4.12 0.41 0.00 0.50 0.00 0.00 46.19 42.68 2wet s LEU 143 CO 0.39 -0.88 1.84 2.19 -1.32 0.00 0.00 176.35 178.57 2wet h PHE 144 N 2.29 0.86 0.00 5.38 -0.00 -1.73 -3.46 116.94 120.28 2wet h PHE 144 Ca -0.49 -0.07 0.00 0.00 -0.00 0.00 0.00 57.97 57.41 2wet h PHE 144 Cb 1.25 -0.26 0.00 0.00 -0.00 0.00 0.00 35.95 36.94 2wet h PHE 144 CO 0.53 0.71 0.00 0.00 -0.00 0.00 0.00 178.31 179.55 2wet n ALA 145 N -2.46 0.00 0.00 12.09 0.00 -1.26 -5.10 120.51 123.78 2wet n ALA 145 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2wet n ALA 145 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 0.13 0.00 4.07 -1.26 -5.16 120.64 118.41 2wet n GLU 159 Ca 0.00 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.23 2wet n GLU 159 Cb 0.00 0.00 0.43 0.00 -0.06 0.00 0.00 31.44 31.81 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 -3.28 115.11 118.19 2wet h GLN 160 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.65 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 -0.41 -0.09 0.09 0.00 0.00 178.83 178.42 2wet h ARG 161 N 0.00 0.00 0.01 0.06 9.65 -2.02 -3.11 114.38 118.97 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 0.62 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.18 2wet h ARG 161 CO 0.00 0.41 -0.90 0.00 2.80 0.00 0.00 179.97 182.28 2wet h ALA 162 N 1.59 0.51 -0.20 2.80 0.00 -1.99 -2.89 119.26 119.09 2wet h ALA 162 Ca -0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 54.91 54.00 2wet h ALA 162 Cb 0.86 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2wet h ALA 162 CO 0.05 1.04 -0.38 0.37 0.00 0.00 0.00 179.25 180.33 2wet h GLN 163 N 0.03 0.44 -2.48 0.00 5.75 -1.69 -3.31 115.11 113.85 2wet h GLN 163 Ca -0.03 -0.21 -0.60 0.00 -0.15 0.00 0.00 58.65 57.67 2wet h GLN 163 Cb 1.57 -0.00 -0.41 0.00 1.07 0.00 0.00 27.48 29.71 2wet h GLN 163 CO 0.13 0.76 -0.77 1.19 -2.65 0.00 0.00 178.83 177.49 2wet n PHE 164 N -4.04 1.75 -1.20 3.99 3.72 -1.20 -2.62 117.46 117.86 2wet n PHE 164 Ca -0.01 -3.91 -0.35 0.00 -0.05 0.00 0.00 57.45 53.13 2wet n PHE 164 Cb 0.49 -0.36 -0.02 0.00 -0.94 0.00 0.00 39.48 38.65 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 1.76 3.02 -1.78 -1.08 -0.04 -1.09 -4.84 135.00 130.94 2wet n PRO 165 Ca 0.25 -2.03 -0.36 0.00 -0.04 0.00 0.00 63.50 61.33 2wet n PRO 165 Cb 0.43 -2.78 0.06 0.00 -0.04 0.00 0.00 33.50 31.17 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 2.82 2.23 0.00 0.54 1.13 -1.26 -4.35 117.35 118.45 2wet s TYR 166 Ca 0.58 1.53 0.00 0.00 -1.41 0.00 0.00 57.07 57.77 2wet s TYR 166 Cb 0.15 -3.53 0.00 0.00 -1.10 0.00 0.00 41.96 37.48 2wet s TYR 166 CO -0.05 -2.49 0.00 0.00 -2.51 0.00 0.00 175.55 170.50 2wet n ALA 167 N -1.99 0.00 -2.29 9.51 0.00 0.18 -4.84 120.51 121.08 2wet n ALA 167 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.50 2wet n ALA 167 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 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 1.54 0.55 -0.01 0.00 1.51 -1.26 -0.97 117.35 118.72 2wet s TYR 168 Ca 0.00 -0.92 0.03 0.00 -1.01 0.00 0.00 57.07 55.17 2wet s TYR 168 Cb 0.00 -0.38 -0.03 0.00 -0.11 0.00 0.00 41.96 41.44 2wet s TYR 168 CO 0.00 -0.29 -0.07 -1.01 -1.11 0.00 0.00 175.55 173.06 2wet s HIS 169 N -3.33 2.88 0.12 2.71 3.76 -0.45 -1.15 115.29 119.84 2wet s HIS 169 Ca 0.03 -0.04 -0.15 0.00 -0.15 0.00 0.00 55.06 54.75 2wet s HIS 169 Cb 0.04 -1.62 0.03 0.00 1.11 0.00 0.00 32.58 32.13 2wet s HIS 169 CO -0.07 0.36 0.38 -0.59 -0.85 0.00 0.00 174.74 173.96 2wet s PHE 170 N -0.95 -0.15 -0.01 1.40 -0.00 0.04 -0.00 117.98 118.31 2wet s PHE 170 Ca 0.16 -0.19 -0.30 0.00 -0.00 0.00 0.00 56.93 56.60 2wet s PHE 170 Cb -0.11 0.22 -0.05 0.00 -0.00 0.00 0.00 43.02 43.08 2wet s PHE 170 CO 0.06 -0.69 1.36 0.34 -0.00 0.00 0.00 175.22 176.29 2wet s ASP 171 N -2.82 6.89 0.24 1.98 -1.08 -0.66 -4.44 116.67 116.78 2wet s ASP 171 Ca 0.04 2.06 -0.05 0.00 -0.52 0.00 0.00 52.55 54.08 2wet s ASP 171 Cb 0.02 -2.56 0.24 0.00 -1.46 0.00 0.00 42.92 39.16 2wet s ASP 171 CO -0.11 -0.69 1.79 0.00 0.52 0.00 0.00 175.17 176.67 2wet h ALA 172 N 7.73 1.09 -0.14 3.66 0.00 -1.88 -1.72 119.26 128.00 2wet h ALA 172 Ca -0.37 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 2wet h ALA 172 Cb 1.18 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2wet h ALA 172 CO 0.90 0.63 0.08 -0.44 0.00 0.00 0.00 179.25 180.42 2wet h ASP 173 N 1.02 0.17 -0.44 0.00 3.32 -1.92 -3.13 116.42 115.45 2wet h ASP 173 Ca 0.23 -0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.10 2wet h ASP 173 Cb 0.27 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2wet h ASP 173 CO -0.01 0.17 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.10 2wet h GLU 174 N 0.16 0.94 -0.42 3.56 4.39 -1.78 -1.87 114.58 119.55 2wet h GLU 174 Ca 0.05 -0.42 -0.01 0.00 0.34 0.00 0.00 59.36 59.31 2wet h GLU 174 Cb 0.03 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2wet h GLU 174 CO -0.01 1.09 0.21 -0.24 -1.16 0.00 0.00 179.01 178.89 2wet h VAL 175 N 0.77 1.17 -0.54 3.13 3.04 -1.38 0.40 116.25 122.84 2wet h VAL 175 Ca 0.09 -0.48 0.04 0.00 -1.01 0.00 0.00 66.70 65.34 2wet h VAL 175 Cb 0.82 0.72 -0.04 0.00 -2.01 0.00 0.00 31.29 30.79 2wet h VAL 175 CO 0.07 0.19 0.30 0.00 -1.01 0.00 0.00 177.57 177.11 2wet h ALA 176 N 1.05 0.70 -0.25 3.17 0.00 -1.48 0.78 119.26 123.23 2wet h ALA 176 Ca 0.14 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2wet h ALA 176 Cb 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2wet h ALA 176 CO -0.02 -0.03 0.14 -0.09 0.00 0.00 0.00 179.25 179.26 2wet h ARG 177 N 0.58 0.35 -0.15 0.00 2.43 -0.80 -1.07 114.38 115.71 2wet h ARG 177 Ca 0.23 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 2wet h ARG 177 Cb 0.10 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2wet h ARG 177 CO -0.14 0.30 0.04 -0.92 -1.51 0.00 0.00 179.97 177.75 2wet h TYR 178 N 0.30 0.24 -0.37 2.20 3.20 0.04 -2.78 116.97 119.80 2wet h TYR 178 Ca 0.09 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 2wet h TYR 178 Cb 0.05 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 2wet h TYR 178 CO -0.04 0.35 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.60 2wet h LEU 179 N 0.06 0.67 -1.25 2.82 3.38 -0.80 -2.14 115.31 118.04 2wet h LEU 179 Ca 0.05 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2wet h LEU 179 Cb 0.23 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2wet h LEU 179 CO -0.00 0.85 0.47 0.77 0.09 0.00 0.00 178.44 180.61 2wet h SER 180 N 0.61 0.85 -0.38 -0.43 4.64 -1.17 -0.12 113.55 117.56 2wet h SER 180 Ca 0.10 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.31 2wet h SER 180 Cb 0.62 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 2wet h SER 180 CO 0.04 0.63 -0.07 -0.08 -0.87 0.00 0.00 176.83 176.49 2wet h GLU 181 N 0.99 0.71 0.28 4.77 4.81 -1.25 -0.19 114.58 124.71 2wet h GLU 181 Ca 0.27 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2wet h GLU 181 Cb -0.09 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 2wet h GLU 181 CO -0.05 0.85 -0.32 -0.92 -0.73 0.00 0.00 179.01 177.83 2wet h TYR 182 N 0.52 -0.87 -0.46 0.92 3.20 -0.88 0.07 116.97 119.47 2wet h TYR 182 Ca 0.10 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.98 2wet h TYR 182 Cb 0.57 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 2wet h TYR 182 CO 0.05 -0.45 0.30 0.00 -1.64 0.00 0.00 178.16 176.41 2wet h ALA 183 N -0.09 0.58 -0.57 1.82 0.00 -1.04 -2.68 119.26 117.28 2wet h ALA 183 Ca -0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2wet h ALA 183 Cb 0.60 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2wet h ALA 183 CO -0.09 0.02 0.05 0.82 0.00 0.00 0.00 179.25 180.05 2wet h ILE 184 N 0.61 1.26 -0.20 0.00 2.04 -0.96 -1.26 117.51 119.01 2wet h ILE 184 Ca 0.17 -1.05 0.06 0.00 1.00 0.00 0.00 64.86 65.04 2wet h ILE 184 Cb -0.06 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2wet h ILE 184 CO -0.04 0.38 0.18 0.00 0.00 0.00 0.00 178.15 178.67 2wet h ALA 185 N 0.98 1.92 -0.62 1.87 0.00 -0.85 -1.92 119.26 120.65 2wet h ALA 185 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2wet h ALA 185 Cb 0.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2wet h ALA 185 CO 0.02 -0.29 0.00 0.54 0.00 0.00 0.00 179.25 179.52 2wet n ARG 186 N -4.00 2.50 0.00 0.00 1.74 -0.54 -4.94 116.66 111.42 2wet n ARG 186 Ca 0.02 -2.33 0.00 0.00 -0.77 0.00 0.00 57.85 54.77 2wet n ARG 186 Cb 0.32 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 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 1.53 0.92 3.68 -0.13 0.00 -0.72 -4.98 105.19 105.50 2wet n GLY 187 Ca 0.22 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 3.13 -0.01 1.61 1.01 -0.81 -4.71 120.40 118.63 2wet s VAL 188 Ca 0.00 0.51 -0.30 0.00 0.00 0.00 0.00 61.98 62.19 2wet s VAL 188 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 2wet s VAL 188 CO 0.00 -0.01 1.16 -0.60 0.00 0.00 0.00 175.10 175.65 2wet s ARG 189 N 2.93 4.41 -0.19 2.72 3.52 0.07 -4.53 118.95 127.88 2wet s ARG 189 Ca 0.74 1.65 -0.03 0.00 -0.13 0.00 0.00 55.73 57.96 2wet s ARG 189 Cb -0.39 -3.48 -0.02 0.00 -1.56 0.00 0.00 34.95 29.51 2wet s ARG 189 CO 0.32 -0.33 -0.05 -1.58 -0.81 0.00 0.00 175.30 172.86 2wet s HIS 190 N 1.68 2.96 -0.13 5.12 5.65 -1.26 -0.10 115.29 129.20 2wet s HIS 190 Ca 0.56 -0.67 0.02 0.00 0.25 0.00 0.00 55.06 55.22 2wet s HIS 190 Cb -0.25 -2.03 0.01 0.00 -1.18 0.00 0.00 32.58 29.14 2wet s HIS 190 CO 0.25 -0.33 -0.18 0.08 -0.65 0.00 0.00 174.74 173.90 2wet s VAL 191 N 0.97 1.79 -0.51 0.89 1.01 0.23 -4.98 120.40 119.80 2wet s VAL 191 Ca -0.00 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 61.01 2wet s VAL 191 Cb -0.15 -1.61 0.10 0.00 0.00 0.00 0.00 36.38 34.72 2wet s VAL 191 CO 0.01 0.50 0.46 -0.69 0.00 0.00 0.00 175.10 175.37 2wet s VAL 192 N 1.02 5.20 0.15 2.92 1.01 -1.26 -1.07 120.40 128.37 2wet s VAL 192 Ca -0.04 -1.25 -0.25 0.00 0.00 0.00 0.00 61.98 60.44 2wet s VAL 192 Cb -0.15 -4.24 0.06 0.00 0.00 0.00 0.00 36.38 32.05 2wet s VAL 192 CO -0.04 -0.74 0.84 -0.62 0.00 0.00 0.00 175.10 174.53 2wet s ASP 193 N 3.11 -0.30 -0.13 3.32 -1.08 -0.27 -4.79 116.67 116.53 2wet s ASP 193 Ca 0.04 -0.30 -0.13 0.00 -0.52 0.00 0.00 52.55 51.64 2wet s ASP 193 Cb -0.27 0.54 -0.05 0.00 -1.46 0.00 0.00 42.92 41.68 2wet s ASP 193 CO 0.05 -0.95 0.30 -1.81 0.52 0.00 0.00 175.17 173.28 2wet s ASP 194 N -2.81 6.49 -0.19 -0.34 1.01 -1.26 -2.75 116.67 116.82 2wet s ASP 194 Ca 0.09 0.58 -0.29 0.00 0.71 0.00 0.00 52.55 53.63 2wet s ASP 194 Cb -0.02 -2.18 0.00 0.00 1.01 0.00 0.00 42.92 41.73 2wet s ASP 194 CO -0.01 0.16 1.05 -0.69 0.21 0.00 0.00 175.17 175.89 2wet s VAL 195 N 0.09 4.66 -0.20 -1.27 1.01 -1.26 -1.48 120.40 121.95 2wet s VAL 195 Ca 0.18 1.99 0.16 0.00 0.00 0.00 0.00 61.98 64.30 2wet s VAL 195 Cb -0.13 -4.28 -0.24 0.00 0.00 0.00 0.00 36.38 31.73 2wet s VAL 195 CO 0.05 -0.13 0.04 0.00 0.00 0.00 0.00 175.10 175.06 2wet n GLN 196 N 6.01 0.77 -3.82 2.72 6.02 0.95 -4.98 117.38 125.05 2wet n GLN 196 Ca 0.11 0.01 -0.12 0.00 -0.01 0.00 0.00 57.00 56.99 2wet n GLN 196 Cb 0.47 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 30.10 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 -2.48 -0.17 -0.31 1.08 5.04 -1.12 -5.02 115.29 112.31 2wet s HIS 197 Ca -0.12 0.41 -0.08 0.00 -1.54 0.00 0.00 55.06 53.73 2wet s HIS 197 Cb 0.06 0.05 0.01 0.00 0.04 0.00 0.00 32.58 32.75 2wet s HIS 197 CO 0.78 -0.12 0.11 0.08 -2.34 0.00 0.00 174.74 173.25 2wet s VAL 198 N -0.10 4.12 0.44 0.89 1.01 -1.26 0.13 120.40 125.63 2wet s VAL 198 Ca -0.02 -0.69 -0.23 0.00 0.00 0.00 0.00 61.98 61.04 2wet s VAL 198 Cb -0.02 -3.15 -0.08 0.00 0.00 0.00 0.00 36.38 33.12 2wet s VAL 198 CO 0.00 0.03 1.09 -0.83 0.00 0.00 0.00 175.10 175.40 2wet s GLY 199 N 1.52 2.72 0.03 4.51 0.00 0.32 -4.98 107.32 111.44 2wet s GLY 199 Ca 0.03 0.78 0.04 0.00 0.00 0.00 0.00 44.72 45.57 2wet s GLY 199 CO 0.04 1.21 -0.13 1.20 0.00 0.00 0.00 173.10 175.41 2wet s GLN 200 N -2.68 0.88 0.46 2.90 -0.21 -1.26 -1.44 119.66 118.31 2wet s GLN 200 Ca 0.61 -0.71 -0.03 0.00 0.02 0.00 0.00 55.36 55.25 2wet s GLN 200 Cb -0.24 -0.87 0.10 0.00 1.00 0.00 0.00 33.01 33.00 2wet s GLN 200 CO 0.29 0.21 0.62 -0.40 -2.12 0.00 0.00 175.29 173.90 2wet n ASP 201 N 1.97 0.52 0.00 5.90 5.68 0.45 -4.79 116.55 126.28 2wet n ASP 201 Ca -0.18 -1.52 0.07 0.00 -0.50 0.00 0.00 54.79 52.67 2wet n ASP 201 Cb 0.55 -0.43 0.40 0.00 -1.14 0.00 0.00 41.12 40.50 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 -2.22 0.31 0.00 0.11 0.28 -1.26 -1.37 120.64 116.49 2wet n GLU 202 Ca 0.09 0.09 0.08 0.00 -0.16 0.00 0.00 57.16 57.27 2wet n GLU 202 Cb 0.33 -1.50 0.06 0.00 1.43 0.00 0.00 31.44 31.76 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 -1.18 1.34 -0.72 3.44 1.74 -1.26 -4.96 116.66 115.05 2wet n ARG 203 Ca 0.09 -1.44 0.00 0.00 -0.77 0.00 0.00 57.85 55.73 2wet n ARG 203 Cb 0.09 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 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 0.95 0.72 3.80 -0.13 0.00 -0.47 -5.04 105.19 105.02 2wet n GLY 204 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.54 3.20 0.07 1.61 0.52 -1.26 -4.78 118.94 115.76 2wet s TRP 205 Ca 0.00 1.62 -0.31 0.00 0.02 0.00 0.00 56.10 57.43 2wet s TRP 205 Cb 0.00 -2.99 -0.06 0.00 -1.15 0.00 0.00 33.47 29.27 2wet s TRP 205 CO 0.00 -0.47 1.27 0.42 0.02 0.00 0.00 176.95 178.19 2wet s ILE 206 N -1.97 3.80 -0.13 2.03 1.01 -1.26 -0.41 121.20 124.26 2wet s ILE 206 Ca 0.63 1.28 0.16 0.00 0.00 0.00 0.00 60.65 62.72 2wet s ILE 206 Cb -0.15 -3.82 -0.24 0.00 0.01 0.00 0.00 42.46 38.26 2wet s ILE 206 CO 0.19 0.09 0.16 -1.54 0.00 0.00 0.00 174.94 173.84 2wet n SER 207 N 4.05 0.71 -3.61 3.58 3.41 -0.52 -4.82 113.62 116.41 2wet n SER 207 Ca 0.10 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.69 2wet n SER 207 Cb 0.45 1.18 -0.02 0.00 -0.26 0.00 0.00 64.21 65.57 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 -4.87 -0.30 -0.14 5.00 0.00 -1.23 -4.33 107.32 101.45 2wet s GLY 208 Ca -0.08 1.52 -0.03 0.00 0.00 0.00 0.00 44.72 46.13 2wet s GLY 208 CO 0.73 0.47 -0.04 -1.34 0.00 0.00 0.00 173.10 172.92 2wet s VAL 209 N -2.21 3.85 -0.28 1.40 -7.23 -0.33 -0.52 120.40 115.09 2wet s VAL 209 Ca 0.12 -0.38 -0.12 0.00 -1.81 0.00 0.00 61.98 59.78 2wet s VAL 209 Cb 0.01 -2.67 -0.05 0.00 0.56 0.00 0.00 36.38 34.24 2wet s VAL 209 CO -0.04 0.51 0.25 -1.00 -0.31 0.00 0.00 175.10 174.52 2wet s HIS 210 N 0.16 3.23 0.24 2.82 3.76 0.12 -0.45 115.29 125.17 2wet s HIS 210 Ca -0.02 0.22 0.06 0.00 -0.15 0.00 0.00 55.06 55.17 2wet s HIS 210 Cb -0.14 -2.45 -0.03 0.00 1.11 0.00 0.00 32.58 31.07 2wet s HIS 210 CO 0.03 -0.18 0.30 0.95 -0.85 0.00 0.00 174.74 174.98 2wet s THR 211 N 1.86 4.98 0.29 1.30 -4.23 -0.31 -0.03 115.64 119.50 2wet s THR 211 Ca 0.10 -1.12 -0.01 0.00 -1.18 0.00 0.00 61.69 59.48 2wet s THR 211 Cb -0.16 -3.69 0.20 0.00 1.34 0.00 0.00 72.50 70.19 2wet s THR 211 CO 0.11 -0.32 1.90 0.50 -0.54 0.00 0.00 174.62 176.26 2wet h LYS 212 N 1.34 0.92 0.00 3.99 3.64 -1.57 -3.35 116.57 121.55 2wet h LYS 212 Ca -0.51 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 58.75 2wet h LYS 212 Cb 1.23 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2wet h LYS 212 CO 0.61 0.72 0.00 1.04 -2.27 0.00 0.00 179.45 179.55 2wet n GLN 213 N -4.34 2.84 -0.17 1.90 1.13 -1.26 -4.81 117.38 112.66 2wet n GLN 213 Ca 0.06 -0.05 0.06 0.00 -1.94 0.00 0.00 57.00 55.13 2wet n GLN 213 Cb 0.13 -0.36 0.13 0.00 0.11 0.00 0.00 30.24 30.26 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 -0.42 0.35 -4.90 1.08 8.25 -1.26 -5.11 115.22 113.21 2wet n HIS 214 Ca 0.00 -0.70 0.00 0.00 -0.26 0.00 0.00 57.72 56.76 2wet n HIS 214 Cb 0.02 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.00 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 -0.45 0.89 3.71 -1.41 0.00 -1.25 -4.72 105.19 101.96 2wet n GLY 215 Ca 0.12 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 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 4.42 -0.27 1.61 2.12 -1.26 -1.16 118.70 124.15 2wet s GLU 216 Ca 0.00 0.84 -0.03 0.00 0.36 0.00 0.00 54.97 56.14 2wet s GLU 216 Cb 0.00 -3.45 0.02 0.00 0.26 0.00 0.00 34.13 30.96 2wet s GLU 216 CO 0.00 0.05 -0.01 0.42 -0.54 0.00 0.00 175.26 175.18 2wet s ILE 217 N 0.86 3.21 0.32 -3.70 1.01 0.41 -4.95 121.20 118.36 2wet s ILE 217 Ca 0.36 -0.98 0.08 0.00 0.00 0.00 0.00 60.65 60.11 2wet s ILE 217 Cb -0.17 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 2wet s ILE 217 CO 0.17 0.12 0.16 -0.44 0.00 0.00 0.00 174.94 174.95 2wet s SER 218 N 1.36 4.90 0.02 3.58 0.01 -1.26 -1.19 113.70 121.12 2wet s SER 218 Ca 0.00 -0.63 -0.21 0.00 1.31 0.00 0.00 55.95 56.42 2wet s SER 218 Cb -0.17 -0.88 0.07 0.00 0.21 0.00 0.00 66.02 65.25 2wet s SER 218 CO -0.02 -0.24 0.95 0.61 0.41 0.00 0.00 173.24 174.95 2wet n GLY 219 N -1.17 0.41 0.12 3.44 0.00 -1.26 -4.88 105.19 101.85 2wet n GLY 219 Ca -0.04 -1.02 -0.21 0.00 0.00 0.00 0.00 46.02 44.75 2wet n GLY 219 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wet h ASP 220 N 1.53 0.42 -3.93 1.61 3.32 -1.79 -3.46 116.42 114.13 2wet h ASP 220 Ca -0.17 -0.89 -0.69 0.00 0.02 0.00 0.00 57.03 55.30 2wet h ASP 220 Cb 0.91 -0.14 -0.32 0.00 0.22 0.00 0.00 39.33 40.01 2wet h ASP 220 CO 0.25 1.53 -0.88 -0.22 -1.72 0.00 0.00 179.24 178.19 2wet s LEU 221 N -7.69 2.08 -0.13 1.55 2.96 -0.90 -4.88 118.68 111.67 2wet s LEU 221 Ca -0.17 -0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 53.20 2wet s LEU 221 Cb 0.03 -1.38 -0.02 0.00 0.50 0.00 0.00 46.19 45.32 2wet s LEU 221 CO 0.79 0.23 -0.07 -0.36 -1.32 0.00 0.00 176.35 175.63 2wet s PHE 222 N -0.10 2.95 -0.27 5.38 0.08 -0.18 -0.51 117.98 125.32 2wet s PHE 222 Ca -0.06 -0.35 -0.06 0.00 0.12 0.00 0.00 56.93 56.58 2wet s PHE 222 Cb -0.14 -1.89 0.00 0.00 -0.57 0.00 0.00 43.02 40.42 2wet s PHE 222 CO 0.04 -0.03 0.04 0.08 -0.10 0.00 0.00 175.22 175.26 2wet s VAL 223 N 0.18 3.80 -0.64 -0.44 1.01 0.41 -1.01 120.40 123.71 2wet s VAL 223 Ca -0.04 -0.63 -0.27 0.00 0.00 0.00 0.00 61.98 61.04 2wet s VAL 223 Cb -0.14 -2.90 0.04 0.00 0.00 0.00 0.00 36.38 33.37 2wet s VAL 223 CO 0.04 0.18 1.17 -0.62 0.00 0.00 0.00 175.10 175.86 2wet s ASP 224 N 1.49 6.30 -0.30 3.32 -1.08 0.07 -1.16 116.67 125.30 2wet s ASP 224 Ca 0.03 -0.28 0.07 0.00 -0.52 0.00 0.00 52.55 51.85 2wet s ASP 224 Cb -0.16 -2.52 0.46 0.00 -1.46 0.00 0.00 42.92 39.23 2wet s ASP 224 CO 0.01 -1.57 1.25 0.00 0.52 0.00 0.00 175.17 175.37 2wet n THR 226 N -0.77 0.23 -4.13 0.00 -2.24 -1.14 -4.26 114.28 101.97 2wet n THR 226 Ca 0.43 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2wet n THR 226 Cb 0.93 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 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 1.06 -1.08 0.41 3.38 0.00 -1.26 -4.07 105.19 103.63 2wet n GLY 227 Ca 0.15 -1.23 0.21 0.00 0.00 0.00 0.00 46.02 45.15 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 0.49 -0.96 1.61 0.04 -1.94 -1.35 116.94 114.83 2wet h PHE 228 Ca 0.00 0.02 0.25 0.00 2.80 0.00 0.00 57.97 61.03 2wet h PHE 228 Cb 0.00 -0.15 -0.18 0.00 2.20 0.00 0.00 35.95 37.83 2wet h PHE 228 CO 0.00 0.11 -0.01 -0.09 -0.60 0.00 0.00 178.31 177.73 2wet h ARG 229 N 0.35 0.02 -6.02 1.51 2.43 -1.90 -3.46 114.38 107.32 2wet h ARG 229 Ca 0.48 -0.00 -0.39 0.00 -0.81 0.00 0.00 59.98 59.26 2wet h ARG 229 Cb 1.28 -0.01 0.09 0.00 -0.42 0.00 0.00 29.97 30.92 2wet h ARG 229 CO -0.17 0.02 -0.88 0.41 -1.51 0.00 0.00 179.97 177.84 2wet n GLY 230 N -1.50 -0.70 0.30 2.80 0.00 -0.53 -4.61 105.19 100.96 2wet n GLY 230 Ca 0.21 0.33 -0.07 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.72 0.97 0.00 0.99 5.85 -1.88 0.35 115.31 119.87 2wet h LEU 231 Ca -0.63 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 57.86 2wet h LEU 231 Cb 1.35 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2wet h LEU 231 CO 0.51 0.89 -0.51 -0.07 -0.34 0.00 0.00 178.44 178.92 2wet h LEU 232 N 1.00 0.00 -0.78 2.25 3.38 -1.94 -2.45 115.31 116.76 2wet h LEU 232 Ca 0.23 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2wet h LEU 232 Cb 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2wet h LEU 232 CO -0.02 0.89 0.14 -0.29 0.09 0.00 0.00 178.44 179.25 2wet h ILE 233 N -1.00 1.26 0.00 1.22 6.09 -1.95 0.25 117.51 123.38 2wet h ILE 233 Ca -0.08 -0.97 -0.42 0.00 -1.37 0.00 0.00 64.86 62.01 2wet h ILE 233 Cb 0.63 0.60 -0.06 0.00 0.47 0.00 0.00 36.82 38.46 2wet h ILE 233 CO -0.05 0.37 -2.43 0.59 -3.07 0.00 0.00 178.15 173.56 2wet n ASN 234 N -4.23 1.86 0.11 2.19 4.13 -0.30 -0.96 115.26 118.07 2wet n ASN 234 Ca 0.05 0.24 -0.02 0.00 1.68 0.00 0.00 54.58 56.53 2wet n ASN 234 Cb 0.27 -0.70 0.01 0.00 -1.54 0.00 0.00 39.78 37.83 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 -0.78 0.00 0.00 3.52 4.20 -1.02 -2.92 115.11 118.11 2wet h GLN 235 Ca -0.64 0.00 -0.44 0.00 0.06 0.00 0.00 58.65 57.64 2wet h GLN 235 Cb 1.61 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.33 2wet h GLN 235 CO -0.35 0.72 -2.41 2.41 -0.67 0.00 0.00 178.83 178.53 2wet n THR 236 N -3.38 1.53 0.87 -0.54 -1.04 -0.93 -4.67 114.28 106.12 2wet n THR 236 Ca 0.01 -0.37 0.12 0.00 -2.04 0.00 0.00 64.05 61.76 2wet n THR 236 Cb 0.78 -1.85 0.25 0.00 -1.82 0.00 0.00 70.33 67.70 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 -4.16 0.52 -0.36 -4.42 4.77 0.05 -4.93 117.00 108.46 2wet n LEU 237 Ca -0.52 0.11 -0.04 0.00 -0.03 0.00 0.00 56.01 55.53 2wet n LEU 237 Cb 0.88 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.71 2wet n LEU 237 CO 0.07 0.06 -0.04 0.61 -1.33 0.00 0.00 177.39 176.76 2wet n GLY 238 N 1.45 0.54 3.75 -0.72 0.00 -1.10 -4.97 105.19 104.13 2wet n GLY 238 Ca 0.05 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.02 1.03 3.73 -0.02 0.00 -0.13 -4.96 105.19 102.81 2wet n GLY 239 Ca -0.04 0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.96 4.37 -0.17 1.61 0.52 -1.26 -4.64 118.95 117.41 2wet s ARG 240 Ca 0.54 0.63 -0.12 0.00 -0.52 0.00 0.00 55.73 56.27 2wet s ARG 240 Cb -0.50 -3.43 -0.05 0.00 0.52 0.00 0.00 34.95 31.49 2wet s ARG 240 CO 0.63 0.16 0.21 0.12 0.02 0.00 0.00 175.30 176.44 2wet s PHE 241 N 0.57 3.45 -0.32 -0.53 5.36 -1.26 -0.67 117.98 124.59 2wet s PHE 241 Ca 0.31 0.48 -0.10 0.00 -0.96 0.00 0.00 56.93 56.66 2wet s PHE 241 Cb -0.16 -2.24 -0.01 0.00 -0.34 0.00 0.00 43.02 40.27 2wet s PHE 241 CO 0.14 0.30 0.17 -1.14 -1.46 0.00 0.00 175.22 173.23 2wet s GLN 242 N 0.29 3.35 0.38 10.12 0.74 0.18 -4.94 119.66 129.78 2wet s GLN 242 Ca 0.13 -0.72 -0.25 0.00 0.05 0.00 0.00 55.36 54.57 2wet s GLN 242 Cb -0.12 -3.61 -0.09 0.00 1.10 0.00 0.00 33.01 30.29 2wet s GLN 242 CO 0.02 -0.43 1.04 0.45 -0.55 0.00 0.00 175.29 175.82 2wet s SER 243 N 1.63 6.86 -0.05 6.67 0.15 -1.26 -1.04 113.70 126.66 2wet s SER 243 Ca 0.05 2.04 0.16 0.00 0.70 0.00 0.00 55.95 58.89 2wet s SER 243 Cb -0.17 -2.59 0.50 0.00 -1.71 0.00 0.00 66.02 62.05 2wet s SER 243 CO 0.07 -0.42 1.43 0.49 1.20 0.00 0.00 173.24 176.01 2wet n PHE 244 N 0.10 0.87 0.27 3.44 3.72 -0.41 -4.72 117.46 120.73 2wet n PHE 244 Ca 0.04 -0.57 0.11 0.00 -0.05 0.00 0.00 57.45 56.97 2wet n PHE 244 Cb 0.49 -0.11 0.73 0.00 -0.94 0.00 0.00 39.48 39.66 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 2.96 0.00 0.10 4.37 0.02 -1.76 0.11 113.55 119.35 2wet h SER 245 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2wet h SER 245 Cb 1.05 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 2wet h SER 245 CO 0.08 0.04 -0.12 -2.24 -1.14 0.00 0.00 176.83 173.46 2wet h ASP 246 N 0.00 0.04 0.00 3.07 2.03 -1.98 -3.19 116.42 116.39 2wet h ASP 246 Ca -0.00 -0.01 -0.03 0.00 -0.73 0.00 0.00 57.03 56.26 2wet h ASP 246 Cb 0.09 -0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 38.57 2wet h ASP 246 CO 0.01 0.16 -1.38 1.33 -1.03 0.00 0.00 179.24 178.32 2wet n VAL 247 N -4.38 0.12 -3.56 4.15 0.24 -0.65 -4.51 118.33 109.73 2wet n VAL 247 Ca -0.02 -0.21 -0.28 0.00 -2.04 0.00 0.00 64.34 61.79 2wet n VAL 247 Cb 0.20 0.05 -0.11 0.00 -1.47 0.00 0.00 33.84 32.51 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 -3.77 2.34 0.16 1.34 1.43 0.28 -4.92 118.68 115.54 2wet s LEU 248 Ca -0.03 -3.11 0.22 0.00 -1.03 0.00 0.00 54.13 50.18 2wet s LEU 248 Cb 0.04 -0.79 0.88 0.00 0.03 0.00 0.00 46.19 46.35 2wet s LEU 248 CO 0.31 -0.18 1.68 -0.81 0.23 0.00 0.00 176.35 177.59 2wet n PRO 249 N 2.85 0.14 -1.67 1.29 -0.04 -1.21 -4.23 135.00 132.13 2wet n PRO 249 Ca 0.23 0.30 -0.51 0.00 -0.04 0.00 0.00 63.50 63.48 2wet n PRO 249 Cb 0.42 -1.72 -0.05 0.00 -0.04 0.00 0.00 33.50 32.10 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 -1.97 3.13 0.00 3.54 3.02 -1.26 -4.65 115.26 117.06 2wet n ASN 250 Ca 0.04 0.95 0.00 0.00 -0.03 0.00 0.00 54.58 55.53 2wet n ASN 250 Cb 0.26 -1.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.12 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 6.68 0.46 -4.08 6.41 6.94 -0.46 -4.90 115.26 126.32 2wet n ASN 251 Ca 0.25 -0.79 -0.10 0.00 -0.02 0.00 0.00 54.58 53.92 2wet n ASN 251 Cb 0.25 0.21 -0.09 0.00 -2.36 0.00 0.00 39.78 37.80 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 -0.21 0.99 0.02 -3.83 0.52 -0.95 -0.89 118.95 114.60 2wet s ARG 252 Ca 0.00 -1.34 -0.08 0.00 -0.52 0.00 0.00 55.73 53.80 2wet s ARG 252 Cb 0.00 0.29 -0.00 0.00 0.52 0.00 0.00 34.95 35.76 2wet s ARG 252 CO 0.00 -0.31 0.15 0.00 0.02 0.00 0.00 175.30 175.16 2wet s ALA 253 N -4.01 -0.29 -0.07 2.13 0.00 -0.48 -1.56 121.76 117.48 2wet s ALA 253 Ca 0.21 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.91 2wet s ALA 253 Cb 0.06 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.40 2wet s ALA 253 CO 0.01 -0.29 -0.09 0.54 0.00 0.00 0.00 175.76 175.93 2wet s VAL 254 N -2.09 0.96 0.15 0.00 0.11 -0.62 -0.82 120.40 118.09 2wet s VAL 254 Ca -0.09 -0.34 0.10 0.00 -2.93 0.00 0.00 61.98 58.72 2wet s VAL 254 Cb -0.04 -0.93 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 2wet s VAL 254 CO -0.02 0.33 -0.20 0.00 -3.33 0.00 0.00 175.10 171.88 2wet s ALA 255 N 1.01 2.62 0.07 1.54 0.00 0.04 -0.88 121.76 126.16 2wet s ALA 255 Ca -0.08 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.40 2wet s ALA 255 Cb -0.15 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 2wet s ALA 255 CO -0.00 0.51 -0.05 -0.51 0.00 0.00 0.00 175.76 175.71 2wet s LEU 256 N -2.39 2.46 -0.35 0.00 1.43 0.12 -0.77 118.68 119.18 2wet s LEU 256 Ca 0.19 -0.93 0.03 0.00 -1.03 0.00 0.00 54.13 52.39 2wet s LEU 256 Cb -0.09 0.06 0.10 0.00 0.03 0.00 0.00 46.19 46.29 2wet s LEU 256 CO 0.10 -0.50 0.06 -0.13 0.23 0.00 0.00 176.35 176.12 2wet s ARG 257 N -3.53 1.61 -0.26 1.70 0.52 -1.26 -1.84 118.95 115.89 2wet s ARG 257 Ca 0.06 -1.84 -0.06 0.00 -0.52 0.00 0.00 55.73 53.37 2wet s ARG 257 Cb 0.04 -3.25 -0.01 0.00 0.52 0.00 0.00 34.95 32.25 2wet s ARG 257 CO -0.07 -0.94 0.04 0.08 0.02 0.00 0.00 175.30 174.44 2wet s VAL 258 N 0.95 3.92 0.39 3.52 1.01 -0.79 -4.96 120.40 124.44 2wet s VAL 258 Ca 0.09 -0.44 -0.27 0.00 0.00 0.00 0.00 61.98 61.37 2wet s VAL 258 Cb -0.20 -2.88 -0.09 0.00 0.00 0.00 0.00 36.38 33.21 2wet s VAL 258 CO -0.07 0.28 1.29 -2.84 0.00 0.00 0.00 175.10 173.76 2wet s PRO 259 N 1.54 4.07 0.13 2.72 0.02 -1.26 0.14 135.00 142.35 2wet s PRO 259 Ca 0.05 2.14 -0.30 0.00 0.02 0.00 0.00 61.00 62.92 2wet s PRO 259 Cb -0.16 -2.82 -0.06 0.00 0.02 0.00 0.00 34.50 31.48 2wet s PRO 259 CO 0.01 -0.41 0.94 0.50 -0.33 0.00 0.00 177.00 177.72 2wet s ARG 260 N -2.14 4.71 0.21 5.54 3.52 -1.26 -4.80 118.95 124.74 2wet s ARG 260 Ca 0.55 1.43 -0.09 0.00 -0.13 0.00 0.00 55.73 57.49 2wet s ARG 260 Cb -0.38 -3.36 0.20 0.00 -1.56 0.00 0.00 34.95 29.85 2wet s ARG 260 CO 0.49 0.27 1.87 1.49 -0.81 0.00 0.00 175.30 178.61 2wet h GLU 261 N 5.34 0.94 -4.80 5.12 4.81 -1.97 -3.37 114.58 120.65 2wet h GLU 261 Ca -0.43 -0.06 -0.67 0.00 -0.13 0.00 0.00 59.36 58.07 2wet h GLU 261 Cb 1.21 -0.21 -0.36 0.00 0.63 0.00 0.00 28.75 30.02 2wet h GLU 261 CO 0.71 0.62 -0.75 1.21 -0.73 0.00 0.00 179.01 180.08 2wet s ASN 262 N -5.83 4.67 0.28 1.04 2.47 -1.26 -5.00 114.94 111.31 2wet s ASN 262 Ca -0.13 -1.48 -0.03 0.00 0.42 0.00 0.00 52.86 51.63 2wet s ASN 262 Cb 0.16 -1.63 0.36 0.00 -1.45 0.00 0.00 41.25 38.69 2wet s ASN 262 CO 0.78 -0.25 1.91 0.44 -3.72 0.00 0.00 177.10 176.25 2wet h ASP 263 N 7.84 0.98 -0.06 -4.21 5.19 -1.94 -2.28 116.42 121.93 2wet h ASP 263 Ca -0.18 -0.07 0.02 0.00 -0.62 0.00 0.00 57.03 56.18 2wet h ASP 263 Cb 1.04 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 40.31 2wet h ASP 263 CO 0.50 0.77 0.08 -0.33 -3.12 0.00 0.00 179.24 177.15 2wet h GLU 264 N 1.11 0.00 -4.71 3.56 3.07 -1.94 -3.34 114.58 112.33 2wet h GLU 264 Ca 0.29 0.00 -0.72 0.00 -0.50 0.00 0.00 59.36 58.42 2wet h GLU 264 Cb -0.01 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 27.78 2wet h GLU 264 CO -0.05 0.00 1.98 -3.47 -1.40 0.00 0.00 179.01 176.07 2wet n ASP 265 N -3.66 4.93 -4.14 1.42 -0.08 -0.86 -4.62 116.55 109.54 2wet n ASP 265 Ca -0.01 -2.97 -0.33 0.00 -1.51 0.00 0.00 54.79 49.97 2wet n ASP 265 Cb 0.17 -1.61 -0.16 0.00 2.34 0.00 0.00 41.12 41.86 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 2.30 3.01 -0.02 -0.67 1.75 -1.26 -4.97 119.30 119.45 2wet s MET 266 Ca 0.46 -0.83 -0.23 0.00 -1.25 0.00 0.00 55.69 53.84 2wet s MET 266 Cb 0.04 -2.55 -0.05 0.00 2.84 0.00 0.00 34.83 35.11 2wet s MET 266 CO 0.01 -0.16 0.67 1.03 -0.65 0.00 0.00 175.02 175.92 2wet s ARG 267 N 1.18 4.41 -0.22 4.11 0.52 -1.26 -4.53 118.95 123.16 2wet s ARG 267 Ca 0.02 0.86 -0.03 0.00 -0.52 0.00 0.00 55.73 56.06 2wet s ARG 267 Cb -0.14 -3.39 0.00 0.00 0.52 0.00 0.00 34.95 31.95 2wet s ARG 267 CO -0.10 0.23 2.67 -0.35 0.02 0.00 0.00 175.30 177.77 2wet n PRO 268 N 3.16 1.90 -3.50 3.54 -0.04 -1.26 -4.66 135.00 134.14 2wet n PRO 268 Ca -0.04 -1.39 -0.11 0.00 -0.04 0.00 0.00 63.50 61.92 2wet n PRO 268 Cb 0.51 -1.77 -0.03 0.00 -0.04 0.00 0.00 33.50 32.16 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 -0.74 -0.45 0.34 0.54 -0.85 -1.20 -0.28 117.35 114.71 2wet s TYR 269 Ca 0.44 0.48 -0.21 0.00 -0.52 0.00 0.00 57.07 57.26 2wet s TYR 269 Cb 0.26 0.50 -0.10 0.00 0.38 0.00 0.00 41.96 43.01 2wet s TYR 269 CO -0.07 -0.59 0.87 0.99 -1.52 0.00 0.00 175.55 175.23 2wet s THR 270 N -2.54 4.41 -0.13 -3.49 2.01 -1.00 -4.52 115.64 110.38 2wet s THR 270 Ca -0.00 1.47 -0.01 0.00 0.31 0.00 0.00 61.69 63.46 2wet s THR 270 Cb -0.01 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 2wet s THR 270 CO -0.05 -0.05 -0.09 -0.89 -0.69 0.00 0.00 174.62 172.86 2wet s THR 271 N -1.84 3.44 -0.32 -0.82 2.01 -0.43 -0.70 115.64 116.97 2wet s THR 271 Ca 0.53 -0.53 -0.02 0.00 0.31 0.00 0.00 61.69 61.99 2wet s THR 271 Cb -0.14 -2.47 0.06 0.00 0.01 0.00 0.00 72.50 69.97 2wet s THR 271 CO 0.19 0.52 0.04 0.00 -0.69 0.00 0.00 174.62 174.68 2wet s ALA 272 N 0.23 2.89 -0.22 7.40 0.00 0.63 -1.14 121.76 131.55 2wet s ALA 272 Ca -0.06 -1.94 -0.06 0.00 0.00 0.00 0.00 51.96 49.90 2wet s ALA 272 Cb -0.15 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 2wet s ALA 272 CO 0.04 -1.39 0.03 0.99 0.00 0.00 0.00 175.76 175.43 2wet s THR 273 N 1.22 4.12 0.16 0.00 2.01 -0.28 -1.25 115.64 121.63 2wet s THR 273 Ca -0.02 -0.25 -0.31 0.00 0.31 0.00 0.00 61.69 61.43 2wet s THR 273 Cb -0.20 -2.89 -0.09 0.00 0.01 0.00 0.00 72.50 69.32 2wet s THR 273 CO -0.02 0.39 1.42 0.00 -0.69 0.00 0.00 174.62 175.73 2wet s ALA 274 N 1.27 3.63 0.00 7.40 0.00 -0.04 -0.46 121.76 133.56 2wet s ALA 274 Ca 0.04 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.21 2wet s ALA 274 Cb -0.15 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2wet s ALA 274 CO 0.02 -0.66 0.00 -1.33 0.00 0.00 0.00 175.76 173.79 2wet n MET 275 N 3.48 2.03 0.14 0.00 2.81 0.74 -4.86 117.12 121.46 2wet n MET 275 Ca 0.10 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.99 2wet n MET 275 Cb 0.41 0.00 0.16 0.00 -0.71 0.00 0.00 33.22 33.08 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 -0.03 7.83 4.64 -1.99 -3.34 113.55 120.66 2wet h SER 276 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 2wet h SER 276 Cb 0.00 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 61.70 2wet h SER 276 CO 0.00 0.62 -1.04 0.00 -0.87 0.00 0.00 176.83 175.54 2wet n ALA 277 N -2.39 2.38 0.00 5.18 0.00 -1.26 -4.58 120.51 119.84 2wet n ALA 277 Ca -0.01 -2.37 0.00 0.00 0.00 0.00 0.00 53.44 51.06 2wet n ALA 277 Cb 0.64 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 0.41 -0.52 3.36 0.00 0.00 -1.25 -3.09 105.19 104.10 2wet n GLY 278 Ca 0.06 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.03 -0.04 1.61 1.48 -0.34 -0.19 118.94 117.43 2wet s TRP 279 Ca 0.00 -0.32 0.05 0.00 -1.06 0.00 0.00 56.10 54.77 2wet s TRP 279 Cb 0.00 0.20 -0.01 0.00 -1.16 0.00 0.00 33.47 32.50 2wet s TRP 279 CO 0.00 -0.74 -0.19 1.41 -4.06 0.00 0.00 176.95 173.37 2wet s MET 280 N -3.86 1.92 0.04 3.25 -2.45 0.39 0.10 119.30 118.69 2wet s MET 280 Ca 0.07 -0.68 -0.06 0.00 -1.25 0.00 0.00 55.69 53.78 2wet s MET 280 Cb 0.02 -1.68 -0.05 0.00 1.25 0.00 0.00 34.83 34.37 2wet s MET 280 CO -0.07 0.29 0.29 1.67 1.05 0.00 0.00 175.02 178.25 2wet s TRP 281 N -0.06 3.56 -0.12 4.11 -2.14 0.35 -1.12 118.94 123.51 2wet s TRP 281 Ca -0.02 0.55 0.00 0.00 2.66 0.00 0.00 56.10 59.29 2wet s TRP 281 Cb -0.12 -1.98 0.02 0.00 -3.10 0.00 0.00 33.47 28.30 2wet s TRP 281 CO 0.02 0.57 -0.10 0.99 -2.66 0.00 0.00 176.95 175.77 2wet s THR 282 N -1.39 1.23 -0.30 0.66 2.01 -0.30 -2.63 115.64 114.94 2wet s THR 282 Ca 0.31 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.90 2wet s THR 282 Cb -0.13 -1.20 0.09 0.00 0.01 0.00 0.00 72.50 71.27 2wet s THR 282 CO 0.19 0.40 0.02 -0.63 -0.69 0.00 0.00 174.62 173.91 2wet s ILE 283 N 1.52 1.74 -0.22 1.82 1.01 0.28 -1.31 121.20 126.03 2wet s ILE 283 Ca 0.03 -1.76 -0.29 0.00 0.00 0.00 0.00 60.65 58.63 2wet s ILE 283 Cb -0.13 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.16 2wet s ILE 283 CO -0.08 -0.43 1.30 -2.84 0.00 0.00 0.00 174.94 172.89 2wet s PRO 284 N 1.22 4.08 0.56 2.79 0.02 -1.26 -0.04 135.00 142.37 2wet s PRO 284 Ca 0.04 1.51 0.09 0.00 0.02 0.00 0.00 61.00 62.67 2wet s PRO 284 Cb -0.19 -3.83 0.08 0.00 0.02 0.00 0.00 34.50 30.58 2wet s PRO 284 CO -0.11 -0.90 0.74 -0.51 -0.33 0.00 0.00 177.00 175.88 2wet s LEU 285 N 3.95 3.11 0.18 -5.54 1.43 0.15 -4.47 118.68 117.48 2wet s LEU 285 Ca 0.57 -0.85 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 2wet s LEU 285 Cb -0.20 -1.67 0.09 0.00 0.03 0.00 0.00 46.19 44.43 2wet s LEU 285 CO 0.19 -1.27 1.72 0.15 0.23 0.00 0.00 176.35 177.37 2wet h PHE 286 N 0.27 0.98 0.00 0.29 3.04 -1.42 -3.29 116.94 116.81 2wet h PHE 286 Ca -0.31 -0.09 -0.09 0.00 3.98 0.00 0.00 57.97 61.46 2wet h PHE 286 Cb 1.29 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 39.49 2wet h PHE 286 CO 0.48 0.79 -2.07 1.63 -2.02 0.00 0.00 178.31 177.13 2wet n LYS 287 N -4.40 0.67 -3.91 1.11 5.02 -1.26 -4.98 118.16 110.41 2wet n LYS 287 Ca 0.04 -0.14 -0.09 0.00 -2.02 0.00 0.00 58.31 56.10 2wet n LYS 287 Cb 0.19 -1.53 -0.02 0.00 -0.02 0.00 0.00 35.03 33.65 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 -3.25 1.84 0.14 1.97 1.70 -1.24 -4.38 118.95 115.73 2wet s ARG 288 Ca -0.08 -1.24 0.00 0.00 -0.47 0.00 0.00 55.73 53.94 2wet s ARG 288 Cb 0.12 0.56 -0.04 0.00 -0.57 0.00 0.00 34.95 35.02 2wet s ARG 288 CO 0.89 -0.82 0.31 -0.51 -1.08 0.00 0.00 175.30 174.08 2wet s ASP 289 N -3.01 6.37 -0.13 -2.89 1.01 0.12 0.33 116.67 118.47 2wet s ASP 289 Ca 0.17 0.29 -0.04 0.00 0.71 0.00 0.00 52.55 53.69 2wet s ASP 289 Cb -0.04 -1.96 -0.03 0.00 1.01 0.00 0.00 42.92 41.89 2wet s ASP 289 CO 0.10 0.05 0.01 -0.83 0.21 0.00 0.00 175.17 174.71 2wet s GLY 290 N -2.99 1.84 0.01 0.21 0.00 0.95 -1.88 107.32 105.47 2wet s GLY 290 Ca 0.36 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 44.31 2wet s GLY 290 CO 0.28 -0.29 -0.06 -1.31 0.00 0.00 0.00 173.10 171.72 2wet s ASN 291 N -0.29 0.69 -0.03 1.64 0.01 -0.77 -0.56 114.94 115.64 2wet s ASN 291 Ca 0.07 -0.28 -0.30 0.00 -0.71 0.00 0.00 52.86 51.64 2wet s ASN 291 Cb -0.12 -0.02 0.07 0.00 0.41 0.00 0.00 41.25 41.58 2wet s ASN 291 CO 0.02 -0.05 0.67 -0.83 -1.51 0.00 0.00 177.10 175.41 2wet s GLY 292 N -0.71 -0.58 -0.25 0.66 0.00 -1.08 0.13 107.32 105.50 2wet s GLY 292 Ca -0.03 1.23 -0.02 0.00 0.00 0.00 0.00 44.72 45.90 2wet s GLY 292 CO 0.00 0.87 -0.05 -0.47 0.00 0.00 0.00 173.10 173.45 2wet s TYR 293 N -1.48 3.05 -0.18 1.90 5.04 -0.06 -0.49 117.35 125.13 2wet s TYR 293 Ca -0.10 -1.45 -0.16 0.00 -2.44 0.00 0.00 57.07 52.93 2wet s TYR 293 Cb -0.00 -2.07 -0.04 0.00 0.35 0.00 0.00 41.96 40.20 2wet s TYR 293 CO 0.07 -0.70 0.41 0.08 -1.34 0.00 0.00 175.55 174.07 2wet s VAL 294 N 1.35 5.20 0.22 3.14 1.01 0.11 -1.59 120.40 129.84 2wet s VAL 294 Ca 0.01 0.76 -0.08 0.00 0.00 0.00 0.00 61.98 62.68 2wet s VAL 294 Cb -0.16 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 2wet s VAL 294 CO -0.04 0.28 0.32 -0.72 0.00 0.00 0.00 175.10 174.94 2wet s TYR 295 N 1.05 0.64 -0.19 5.22 -0.85 -0.60 -1.20 117.35 121.42 2wet s TYR 295 Ca 0.21 -0.96 -0.07 0.00 -0.52 0.00 0.00 57.07 55.73 2wet s TYR 295 Cb -0.15 -0.11 -0.04 0.00 0.38 0.00 0.00 41.96 42.04 2wet s TYR 295 CO 0.08 -0.82 0.04 0.45 -1.52 0.00 0.00 175.55 173.78 2wet s SER 296 N -3.06 5.38 0.00 -0.18 0.15 -1.18 -1.35 113.70 113.46 2wet s SER 296 Ca 0.27 -0.01 0.23 0.00 0.70 0.00 0.00 55.95 57.14 2wet s SER 296 Cb 0.03 -1.92 1.24 0.00 -1.71 0.00 0.00 66.02 63.66 2wet s SER 296 CO 0.08 0.14 1.77 -0.90 1.20 0.00 0.00 173.24 175.53 2wet n ASP 297 N 3.77 0.00 0.25 5.45 5.68 -1.26 -1.74 116.55 128.71 2wet n ASP 297 Ca -0.17 -0.25 0.15 0.00 -0.50 0.00 0.00 54.79 54.02 2wet n ASP 297 Cb 0.52 -0.20 0.46 0.00 -1.14 0.00 0.00 41.12 40.76 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 -3.36 114.58 114.20 2wet h GLU 298 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2wet h GLU 298 Cb 0.15 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 2wet h GLU 298 CO 0.00 0.02 -1.44 1.19 -0.73 0.00 0.00 179.01 178.05 2wet n PHE 299 N -3.11 0.00 -3.73 0.92 3.72 -0.71 -5.03 117.46 109.52 2wet n PHE 299 Ca 0.02 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.29 2wet n PHE 299 Cb 0.41 -0.24 -0.09 0.00 -0.94 0.00 0.00 39.48 38.62 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 -2.56 0.02 0.57 4.37 2.07 -1.09 -5.00 121.20 119.58 2wet s ILE 300 Ca -0.03 -0.13 -0.13 0.00 -1.41 0.00 0.00 60.65 58.95 2wet s ILE 300 Cb 0.05 -0.60 -0.06 0.00 0.13 0.00 0.00 42.46 41.98 2wet s ILE 300 CO 0.37 -0.07 1.01 -0.94 -1.91 0.00 0.00 174.94 173.40 2wet s SER 301 N -0.27 6.40 0.33 4.50 1.04 -1.26 -4.02 113.70 120.42 2wet s SER 301 Ca -0.04 1.48 0.09 0.00 0.48 0.00 0.00 55.95 57.96 2wet s SER 301 Cb -0.03 -2.49 0.81 0.00 0.10 0.00 0.00 66.02 64.41 2wet s SER 301 CO 0.02 -0.75 1.81 -0.65 0.98 0.00 0.00 173.24 174.65 2wet h PRO 302 N 0.21 0.68 0.12 4.02 0.11 -1.97 -1.09 132.00 134.07 2wet h PRO 302 Ca -0.45 -0.04 -0.28 0.00 0.11 0.00 0.00 66.00 65.34 2wet h PRO 302 Cb 1.19 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 32.16 2wet h PRO 302 CO 0.62 0.45 -1.21 1.05 -0.21 0.00 0.00 178.00 178.70 2wet h GLU 303 N 0.70 0.41 -0.68 1.05 9.09 -1.98 -1.89 114.58 121.27 2wet h GLU 303 Ca 0.53 -0.60 0.09 0.00 0.05 0.00 0.00 59.36 59.44 2wet h GLU 303 Cb 0.90 0.21 -0.07 0.00 -1.65 0.00 0.00 28.75 28.14 2wet h GLU 303 CO -0.30 1.26 0.32 0.93 0.05 0.00 0.00 179.01 181.26 2wet h GLU 304 N 0.16 0.53 -0.44 1.06 5.08 -1.86 0.38 114.58 119.48 2wet h GLU 304 Ca -0.15 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 2wet h GLU 304 Cb 1.90 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 31.01 2wet h GLU 304 CO 0.21 0.35 0.10 0.00 -1.00 0.00 0.00 179.01 178.67 2wet h ALA 305 N 1.42 0.58 -0.68 3.43 0.00 -1.21 0.58 119.26 123.39 2wet h ALA 305 Ca 0.34 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2wet h ALA 305 Cb 0.37 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2wet h ALA 305 CO -0.28 0.27 0.45 1.49 0.00 0.00 0.00 179.25 181.18 2wet h GLU 306 N 0.58 0.89 -0.60 0.00 4.81 -0.79 0.42 114.58 119.88 2wet h GLU 306 Ca 0.14 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 2wet h GLU 306 Cb 0.33 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 2wet h GLU 306 CO 0.00 0.59 0.24 0.00 -0.73 0.00 0.00 179.01 179.11 2wet h ARG 307 N 0.91 0.90 -0.48 1.92 3.08 0.07 -0.99 114.38 119.79 2wet h ARG 307 Ca 0.25 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 2wet h ARG 307 Cb -0.10 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.79 2wet h ARG 307 CO -0.06 0.77 -0.10 1.49 -1.07 0.00 0.00 179.97 181.01 2wet h GLU 308 N 0.84 0.88 0.39 0.04 4.81 -0.53 -1.89 114.58 119.12 2wet h GLU 308 Ca 0.20 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 2wet h GLU 308 Cb 0.21 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2wet h GLU 308 CO -0.02 0.93 -0.19 1.25 -0.73 0.00 0.00 179.01 180.26 2wet h LEU 309 N 0.79 -0.44 -0.94 1.64 5.85 -0.76 -3.03 115.31 118.42 2wet h LEU 309 Ca 0.13 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.85 2wet h LEU 309 Cb 0.61 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.68 2wet h LEU 309 CO 0.04 -0.15 0.58 0.03 -0.34 0.00 0.00 178.44 178.60 2wet h ARG 310 N -0.75 0.95 -0.04 1.25 3.08 -1.16 -1.49 114.38 116.23 2wet h ARG 310 Ca -0.05 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 2wet h ARG 310 Cb 0.51 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2wet h ARG 310 CO 0.09 0.63 -0.16 0.77 -1.07 0.00 0.00 179.97 180.22 2wet h SER 311 N 0.98 0.05 0.11 7.04 0.02 -1.37 0.03 113.55 120.41 2wet h SER 311 Ca 0.44 -0.01 -0.30 0.00 -0.84 0.00 0.00 61.79 61.08 2wet h SER 311 Cb 0.34 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 2wet h SER 311 CO -0.23 0.22 -1.60 0.74 -1.14 0.00 0.00 176.83 174.83 2wet h THR 312 N 0.05 0.89 0.00 -2.27 2.02 -1.17 -3.41 112.91 109.02 2wet h THR 312 Ca 0.01 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.82 2wet h THR 312 Cb 0.32 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 2wet h THR 312 CO 0.02 0.73 -0.91 1.33 0.37 0.00 0.00 175.52 177.06 2wet n VAL 313 N -3.83 0.00 -2.79 3.16 0.24 -0.74 -4.84 118.33 109.53 2wet n VAL 313 Ca -0.28 -0.19 -0.11 0.00 -2.04 0.00 0.00 64.34 61.72 2wet n VAL 313 Cb 0.93 0.57 0.04 0.00 -1.47 0.00 0.00 33.84 33.92 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 -1.50 2.26 -1.62 2.33 0.00 -0.07 -5.07 120.51 116.84 2wet n ALA 314 Ca -0.00 -2.66 -0.48 0.00 0.00 0.00 0.00 53.44 50.30 2wet n ALA 314 Cb 0.11 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.05 1.58 -0.84 0.00 -0.02 -0.77 -2.22 135.00 132.67 2wet n PRO 315 Ca 0.10 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2wet n PRO 315 Cb 0.78 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 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 2.52 0.62 2.76 -1.23 0.00 -1.26 -4.91 105.19 103.69 2wet n GLY 316 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.96 4.84 0.06 1.61 1.74 -0.94 -4.77 116.66 117.24 2wet n ARG 317 Ca 0.00 -4.35 0.12 0.00 -0.77 0.00 0.00 57.85 52.85 2wet n ARG 317 Cb 0.02 -2.55 0.46 0.00 -1.02 0.00 0.00 32.46 29.37 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 1.03 0.42 0.28 0.55 8.00 -1.26 -2.30 116.55 123.27 2wet n ASP 318 Ca 0.42 0.56 0.19 0.00 0.71 0.00 0.00 54.79 56.67 2wet n ASP 318 Cb 0.29 -0.67 0.95 0.00 -0.02 0.00 0.00 41.12 41.67 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 -3.45 -2.24 2.03 -2.00 -3.42 116.42 107.35 2wet h ASP 319 Ca 0.00 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.71 2wet h ASP 319 Cb 0.50 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 38.91 2wet h ASP 319 CO 0.00 0.00 0.55 -0.76 -1.03 0.00 0.00 179.24 178.00 2wet s LEU 320 N -5.79 4.03 0.07 0.15 1.43 -0.97 -5.02 118.68 112.59 2wet s LEU 320 Ca -0.02 0.66 -0.30 0.00 -1.03 0.00 0.00 54.13 53.43 2wet s LEU 320 Cb 0.11 -3.23 -0.06 0.00 0.03 0.00 0.00 46.19 43.04 2wet s LEU 320 CO 0.41 -0.77 1.17 -0.70 0.23 0.00 0.00 176.35 176.69 2wet s GLU 321 N 3.30 4.46 0.09 1.70 2.12 -1.26 -5.03 118.70 124.09 2wet s GLU 321 Ca 0.37 1.74 -0.19 0.00 0.36 0.00 0.00 54.97 57.25 2wet s GLU 321 Cb -0.13 -3.34 -0.07 0.00 0.26 0.00 0.00 34.13 30.85 2wet s GLU 321 CO 0.16 -0.20 0.59 0.00 -0.54 0.00 0.00 175.26 175.27 2wet s ALA 322 N 0.87 3.57 -0.33 6.30 0.00 -1.26 -4.66 121.76 126.24 2wet s ALA 322 Ca 0.57 0.05 -0.07 0.00 0.00 0.00 0.00 51.96 52.50 2wet s ALA 322 Cb -0.29 -2.65 0.03 0.00 0.00 0.00 0.00 23.12 20.20 2wet s ALA 322 CO 0.30 0.39 0.12 1.21 0.00 0.00 0.00 175.76 177.78 2wet s ASN 323 N -1.18 5.36 -0.14 0.00 2.47 0.05 -4.94 114.94 116.55 2wet s ASN 323 Ca 0.31 -0.99 -0.18 0.00 0.42 0.00 0.00 52.86 52.42 2wet s ASN 323 Cb -0.19 -1.90 -0.04 0.00 -1.45 0.00 0.00 41.25 37.66 2wet s ASN 323 CO 0.20 -0.30 0.47 -1.00 -3.72 0.00 0.00 177.10 172.74 2wet s HIS 324 N 1.46 3.48 -0.05 0.43 3.76 -1.26 -0.78 115.29 122.33 2wet s HIS 324 Ca 0.00 0.84 0.04 0.00 -0.15 0.00 0.00 55.06 55.80 2wet s HIS 324 Cb -0.19 -2.55 -0.00 0.00 1.11 0.00 0.00 32.58 30.95 2wet s HIS 324 CO 0.04 0.13 -0.18 0.42 -0.85 0.00 0.00 174.74 174.30 2wet s ILE 325 N 0.77 1.52 -0.23 0.60 1.01 -0.00 -5.01 121.20 119.86 2wet s ILE 325 Ca 0.25 -0.75 -0.15 0.00 0.00 0.00 0.00 60.65 59.99 2wet s ILE 325 Cb -0.15 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 2wet s ILE 325 CO 0.10 0.44 0.39 -1.10 0.00 0.00 0.00 174.94 174.76 2wet s GLN 326 N 0.12 4.11 -0.04 2.79 -0.21 -1.26 -1.38 119.66 123.78 2wet s GLN 326 Ca -0.06 0.14 -0.09 0.00 0.02 0.00 0.00 55.36 55.37 2wet s GLN 326 Cb -0.13 -3.58 -0.05 0.00 1.00 0.00 0.00 33.01 30.25 2wet s GLN 326 CO 0.03 -0.14 0.27 -1.64 -2.12 0.00 0.00 175.29 171.69 2wet s MET 327 N 1.62 3.63 -0.44 2.91 -1.94 -0.07 -5.00 119.30 120.01 2wet s MET 327 Ca 0.17 0.06 -0.11 0.00 -1.71 0.00 0.00 55.69 54.11 2wet s MET 327 Cb -0.15 -3.16 0.09 0.00 2.01 0.00 0.00 34.83 33.61 2wet s MET 327 CO 0.08 0.71 0.31 0.50 -0.01 0.00 0.00 175.02 176.61 2wet s ARG 328 N -1.28 2.67 -0.30 2.03 3.52 -1.26 -4.79 118.95 119.54 2wet s ARG 328 Ca 0.22 -1.50 -0.11 0.00 -0.13 0.00 0.00 55.73 54.20 2wet s ARG 328 Cb -0.14 -3.89 -0.04 0.00 -1.56 0.00 0.00 34.95 29.33 2wet s ARG 328 CO 0.11 -1.02 0.20 0.42 -0.81 0.00 0.00 175.30 174.19 2wet s ILE 329 N 1.46 5.20 -5.00 4.11 -1.09 -1.26 -4.22 121.20 120.40 2wet s ILE 329 Ca 0.04 -0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.45 2wet s ILE 329 Cb -0.24 -3.54 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 2wet s ILE 329 CO 0.02 0.17 0.00 0.61 -1.23 0.00 0.00 174.94 174.51 2wet n GLY 330 N 5.06 0.33 3.25 6.18 0.00 0.06 -1.29 105.19 118.78 2wet n GLY 330 Ca -0.14 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.36 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 0.75 0.41 1.61 1.70 -0.21 -0.65 118.95 120.56 2wet s ARG 331 Ca 0.00 -0.38 -0.27 0.00 -0.47 0.00 0.00 55.73 54.61 2wet s ARG 331 Cb 0.00 0.33 -0.10 0.00 -0.57 0.00 0.00 34.95 34.61 2wet s ARG 331 CO 0.00 -0.23 1.46 0.09 -1.08 0.00 0.00 175.30 175.54 2wet n ASN 332 N 0.85 3.58 -0.15 -2.89 3.02 -0.00 0.52 115.26 120.18 2wet n ASN 332 Ca -0.20 1.18 -0.03 0.00 -0.03 0.00 0.00 54.58 55.51 2wet n ASN 332 Cb 0.58 -1.61 0.06 0.00 -0.61 0.00 0.00 39.78 38.20 2wet n ASN 332 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2wet h GLU 333 N 2.67 0.25 -4.36 3.52 4.39 -1.24 -3.41 114.58 116.40 2wet h GLU 333 Ca -0.51 -0.01 -0.50 0.00 0.34 0.00 0.00 59.36 58.68 2wet h GLU 333 Cb 1.25 -0.06 -0.35 0.00 -0.10 0.00 0.00 28.75 29.50 2wet h GLU 333 CO 0.63 0.16 -0.80 1.03 -1.16 0.00 0.00 179.01 178.87 2wet s ARG 334 N -6.14 1.51 0.12 2.33 0.52 -1.26 -4.87 118.95 111.15 2wet s ARG 334 Ca -0.13 -0.31 0.23 0.00 -0.52 0.00 0.00 55.73 55.00 2wet s ARG 334 Cb 0.15 -1.37 0.13 0.00 0.52 0.00 0.00 34.95 34.38 2wet s ARG 334 CO 0.72 -0.08 1.12 0.25 0.02 0.00 0.00 175.30 177.34 2wet n THR 335 N 4.20 0.37 -4.01 0.02 -2.24 -1.26 -4.67 114.28 106.70 2wet n THR 335 Ca -0.20 -0.36 -0.33 0.00 -2.27 0.00 0.00 64.05 60.89 2wet n THR 335 Cb 0.51 -0.10 -0.15 0.00 -2.10 0.00 0.00 70.33 68.50 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 -3.25 3.17 -0.07 4.78 -0.11 -1.26 -0.09 118.94 122.11 2wet s TRP 336 Ca 0.03 -1.97 0.02 0.00 1.22 0.00 0.00 56.10 55.40 2wet s TRP 336 Cb 0.12 -2.00 0.01 0.00 -1.50 0.00 0.00 33.47 30.10 2wet s TRP 336 CO 0.77 -0.82 -0.13 0.42 -4.62 0.00 0.00 176.95 172.57 2wet s ILE 337 N 1.21 1.22 0.00 5.86 1.01 -0.32 -4.96 121.20 125.21 2wet s ILE 337 Ca -0.05 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.09 2wet s ILE 337 Cb -0.18 -1.11 0.00 0.00 0.01 0.00 0.00 42.46 41.17 2wet s ILE 337 CO -0.05 0.38 0.00 0.59 0.00 0.00 0.00 174.94 175.86 2wet n ASN 338 N 3.90 0.00 -2.14 3.58 3.02 -1.26 -1.07 115.26 121.28 2wet n ASN 338 Ca -0.22 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.11 2wet n ASN 338 Cb 0.52 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.85 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 4.46 3.83 -4.01 6.41 6.94 -1.26 -4.92 115.26 126.71 2wet n ASN 339 Ca 0.00 -3.49 -0.24 0.00 -0.02 0.00 0.00 54.58 50.82 2wet n ASN 339 Cb 0.00 -0.82 -0.17 0.00 -2.36 0.00 0.00 39.78 36.43 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 0.73 2.24 0.04 0.00 1.01 -0.18 -1.17 120.40 123.07 2wet s VAL 341 Ca -0.13 -0.91 -0.26 0.00 0.00 0.00 0.00 61.98 60.67 2wet s VAL 341 Cb -0.16 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 2wet s VAL 341 CO 0.03 0.54 0.83 0.00 0.00 0.00 0.00 175.10 176.49 2wet s ALA 342 N 0.92 3.31 -0.03 5.51 0.00 0.88 -0.75 121.76 131.59 2wet s ALA 342 Ca -0.04 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.29 2wet s ALA 342 Cb -0.15 -3.10 0.01 0.00 0.00 0.00 0.00 23.12 19.89 2wet s ALA 342 CO -0.04 -0.02 -0.06 0.08 0.00 0.00 0.00 175.76 175.73 2wet s VAL 343 N 0.22 0.58 0.00 0.00 1.01 -0.66 -4.63 120.40 116.91 2wet s VAL 343 Ca 0.42 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.20 2wet s VAL 343 Cb -0.21 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.61 2wet s VAL 343 CO 0.24 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.17 2wet n GLY 344 N 3.69 -0.07 0.31 4.51 0.00 -1.26 -4.33 105.19 108.04 2wet n GLY 344 Ca -0.22 -1.61 0.19 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.11 0.99 3.38 -1.86 -0.40 115.31 116.31 2wet h LEU 345 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 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 0.02 -0.39 0.77 0.09 0.00 0.00 178.44 178.92 2wet h SER 346 N 0.00 0.00 0.15 -0.43 4.64 -1.71 -3.27 113.55 112.93 2wet h SER 346 Ca -0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 2wet h SER 346 Cb 0.20 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.31 2wet h SER 346 CO 0.00 0.39 -1.04 0.00 -0.87 0.00 0.00 176.83 175.32 2wet h ALA 347 N 1.61 -0.05 -1.11 5.18 0.00 -1.32 -3.45 119.26 120.12 2wet h ALA 347 Ca -0.00 -0.80 0.32 0.00 0.00 0.00 0.00 54.91 54.43 2wet h ALA 347 Cb 0.80 0.19 -0.20 0.00 0.00 0.00 0.00 17.79 18.57 2wet h ALA 347 CO 0.05 0.51 0.96 0.00 0.00 0.00 0.00 179.25 180.77 2wet s ALA 348 N -2.46 -2.19 -0.28 0.00 0.00 -1.12 -0.82 121.76 114.88 2wet s ALA 348 Ca -0.14 1.84 -0.23 0.00 0.00 0.00 0.00 51.96 53.43 2wet s ALA 348 Cb 0.02 -0.34 0.11 0.00 0.00 0.00 0.00 23.12 22.91 2wet s ALA 348 CO 0.84 -0.57 0.94 0.12 0.00 0.00 0.00 175.76 177.09 2wet s PHE 349 N -2.10 -0.59 0.20 0.00 5.36 0.17 -4.17 117.98 116.85 2wet s PHE 349 Ca 0.11 1.38 0.10 0.00 -0.96 0.00 0.00 56.93 57.56 2wet s PHE 349 Cb -0.01 0.36 -0.04 0.00 -0.34 0.00 0.00 43.02 42.99 2wet s PHE 349 CO -0.03 -0.29 -0.20 0.14 -1.46 0.00 0.00 175.22 173.39 2wet s VAL 350 N 0.53 2.09 0.48 3.12 -7.23 -1.26 -0.76 120.40 117.37 2wet s VAL 350 Ca -0.00 -2.08 -0.22 0.00 -1.81 0.00 0.00 61.98 57.87 2wet s VAL 350 Cb -0.05 -2.03 -0.09 0.00 0.56 0.00 0.00 36.38 34.77 2wet s VAL 350 CO -0.07 -0.31 0.97 -1.84 -0.31 0.00 0.00 175.10 173.54 2wet n GLU 351 N 0.04 1.18 -0.14 4.82 0.28 -1.26 -4.78 120.64 120.78 2wet n GLU 351 Ca -0.11 0.43 0.00 0.00 -0.16 0.00 0.00 57.16 57.32 2wet n GLU 351 Cb 0.58 -2.06 0.00 0.00 1.43 0.00 0.00 31.44 31.38 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 -0.20 0.79 0.22 3.44 -0.04 -1.26 -4.37 135.00 133.58 2wet n PRO 352 Ca 0.11 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.62 2wet n PRO 352 Cb 0.42 -1.10 0.49 0.00 -0.04 0.00 0.00 33.50 33.27 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 1.90 0.00 -2.96 1.53 5.85 -2.03 -2.78 115.31 116.82 2wet h LEU 353 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2wet h LEU 353 Cb 0.79 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2wet h LEU 353 CO 0.00 0.24 -0.26 -0.62 -0.34 0.00 0.00 178.44 177.46 2wet n GLU 354 N -4.10 1.32 -3.65 1.25 -0.58 -1.26 -5.02 120.64 108.60 2wet n GLU 354 Ca -0.02 -2.80 -0.27 0.00 -0.42 0.00 0.00 57.16 53.65 2wet n GLU 354 Cb 0.31 -1.46 0.02 0.00 -0.57 0.00 0.00 31.44 29.74 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 -1.19 -5.50 -0.00 1.62 7.64 -1.05 -4.89 113.62 110.25 2wet n SER 355 Ca 0.16 -0.89 0.04 0.00 1.01 0.00 0.00 58.87 59.20 2wet n SER 355 Cb 0.68 -3.09 -0.05 0.00 -1.01 0.00 0.00 64.21 60.74 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 -3.52 0.00 -0.11 0.44 -2.24 -1.26 -3.79 114.28 103.81 2wet n THR 356 Ca -0.13 -0.30 -0.07 0.00 -2.27 0.00 0.00 64.05 61.28 2wet n THR 356 Cb 0.60 0.96 0.01 0.00 -2.10 0.00 0.00 70.33 69.80 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 1.95 0.48 1.83 3.38 0.00 -1.91 0.11 103.07 108.91 2wet h GLY 357 Ca 0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 47.33 47.04 2wet h GLY 357 CO 0.00 0.09 -0.74 -2.22 0.00 0.00 0.00 176.54 173.66 2wet h ILE 358 N 0.35 1.46 -0.31 2.60 2.04 -1.87 -2.63 117.51 119.16 2wet h ILE 358 Ca 0.15 -2.36 0.01 0.00 1.00 0.00 0.00 64.86 63.67 2wet h ILE 358 Cb 0.07 2.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 2wet h ILE 358 CO -0.11 0.69 0.18 0.15 0.00 0.00 0.00 178.15 179.05 2wet h PHE 359 N 0.10 0.34 -0.89 1.37 3.57 -1.73 -1.15 116.94 118.55 2wet h PHE 359 Ca -0.02 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.57 2wet h PHE 359 Cb 1.31 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.88 2wet h PHE 359 CO 0.02 0.20 0.58 0.74 -2.23 0.00 0.00 178.31 177.61 2wet h PHE 360 N 0.37 0.98 0.29 0.41 0.04 -0.62 0.64 116.94 119.05 2wet h PHE 360 Ca 0.12 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.90 2wet h PHE 360 Cb 0.00 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 37.84 2wet h PHE 360 CO -0.08 0.48 -0.14 0.82 -0.60 0.00 0.00 178.31 178.79 2wet h ILE 361 N 0.94 0.72 -0.37 -0.55 2.04 -1.20 -1.31 117.51 117.78 2wet h ILE 361 Ca 0.40 -0.58 0.06 0.00 1.00 0.00 0.00 64.86 65.74 2wet h ILE 361 Cb 0.31 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 2wet h ILE 361 CO -0.16 0.11 0.06 -0.61 0.00 0.00 0.00 178.15 177.55 2wet h GLN 362 N -0.72 0.17 -0.44 2.37 4.15 -0.79 -0.60 115.11 119.25 2wet h GLN 362 Ca -0.04 -0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.27 2wet h GLN 362 Cb 0.49 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 2wet h GLN 362 CO 0.07 0.11 -0.11 1.25 -1.93 0.00 0.00 178.83 178.22 2wet h HIS 363 N 0.18 0.95 -0.88 3.99 2.76 -0.93 0.71 115.15 121.93 2wet h HIS 363 Ca 0.18 -0.21 0.14 0.00 -2.20 0.00 0.00 60.37 58.28 2wet h HIS 363 Cb 0.22 -0.23 -0.09 0.00 1.55 0.00 0.00 27.41 28.85 2wet h HIS 363 CO -0.20 0.95 0.49 0.00 -1.30 0.00 0.00 177.93 177.87 2wet h ALA 364 N 0.86 1.34 0.06 5.26 0.00 -0.81 -0.08 119.26 125.89 2wet h ALA 364 Ca 0.11 0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 2wet h ALA 364 Cb 0.65 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.39 2wet h ALA 364 CO 0.04 -0.02 -0.73 0.82 0.00 0.00 0.00 179.25 179.36 2wet h ILE 365 N 0.71 1.44 -0.79 0.00 2.04 -0.56 -1.40 117.51 118.95 2wet h ILE 365 Ca 0.47 -2.27 0.07 0.00 1.00 0.00 0.00 64.86 64.14 2wet h ILE 365 Cb 0.63 2.81 -0.06 0.00 -0.74 0.00 0.00 36.82 39.45 2wet h ILE 365 CO -0.34 0.66 0.46 -0.33 0.00 0.00 0.00 178.15 178.60 2wet h GLU 366 N -0.16 0.80 0.00 2.37 5.08 -0.74 -1.77 114.58 120.16 2wet h GLU 366 Ca -0.11 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 2wet h GLU 366 Cb 1.48 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 2wet h GLU 366 CO 0.14 0.53 -0.12 1.96 -1.00 0.00 0.00 179.01 180.52 2wet h GLN 367 N 0.82 0.00 -0.37 2.33 1.08 -0.98 -2.50 115.11 115.49 2wet h GLN 367 Ca 0.36 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.43 2wet h GLN 367 Cb 0.25 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 2wet h GLN 367 CO -0.20 0.12 -0.27 1.25 -0.95 0.00 0.00 178.83 178.77 2wet h LEU 368 N 0.00 0.89 -0.52 1.46 5.85 -0.71 0.10 115.31 122.38 2wet h LEU 368 Ca -0.00 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 2wet h LEU 368 Cb 1.05 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 2wet h LEU 368 CO 0.02 1.14 0.29 0.58 -0.34 0.00 0.00 178.44 180.13 2wet h VAL 369 N 0.65 1.18 -0.29 1.05 2.07 -1.18 0.23 116.25 119.95 2wet h VAL 369 Ca 0.07 -0.44 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 2wet h VAL 369 Cb 0.85 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2wet h VAL 369 CO 0.07 0.19 -0.18 0.11 0.02 0.00 0.00 177.57 177.78 2wet h LYS 370 N 0.70 0.53 -0.57 1.57 1.79 -1.30 -2.76 116.57 116.52 2wet h LYS 370 Ca 0.18 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2wet h LYS 370 Cb 0.04 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2wet h LYS 370 CO -0.03 0.69 0.00 0.72 -1.08 0.00 0.00 179.45 179.75 2wet n HIS 371 N -4.16 1.80 -1.66 -1.35 8.25 0.34 -5.00 115.22 113.44 2wet n HIS 371 Ca 0.00 -0.71 -0.46 0.00 -0.26 0.00 0.00 57.72 56.30 2wet n HIS 371 Cb 0.37 -0.42 -0.03 0.00 1.12 0.00 0.00 29.99 31.03 2wet n HIS 371 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2wet n PHE 372 N 0.66 2.10 -2.58 4.41 7.35 0.78 -4.87 117.46 125.31 2wet n PHE 372 Ca 0.27 0.42 -0.35 0.00 -0.76 0.00 0.00 57.45 57.02 2wet n PHE 372 Cb 1.08 -2.46 -0.04 0.00 0.35 0.00 0.00 39.48 38.41 2wet n PHE 372 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2wet s PRO 373 N -0.04 4.04 0.63 -7.13 0.04 -1.26 -5.07 135.00 126.21 2wet s PRO 373 Ca 0.72 1.40 -0.01 0.00 0.04 0.00 0.00 61.00 63.15 2wet s PRO 373 Cb -0.68 -2.33 0.13 0.00 0.04 0.00 0.00 34.50 31.65 2wet s PRO 373 CO 0.47 -0.23 0.86 0.41 0.04 0.00 0.00 177.00 178.55 2wet n GLY 374 N 0.00 0.52 0.25 0.56 0.00 -1.26 -4.45 105.19 100.82 2wet n GLY 374 Ca 0.07 -2.00 0.06 0.00 0.00 0.00 0.00 46.02 44.15 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 0.09 -5.59 1.61 4.11 -1.96 -3.31 114.58 109.52 2wet h GLU 375 Ca -0.28 -0.01 -0.63 0.00 0.07 0.00 0.00 59.36 58.51 2wet h GLU 375 Cb 1.03 -0.02 -0.14 0.00 0.50 0.00 0.00 28.75 30.12 2wet h GLU 375 CO 0.30 0.13 0.50 1.03 0.07 0.00 0.00 179.01 181.03 2wet s ARG 376 N -4.97 3.22 0.28 1.06 0.52 -1.26 -5.00 118.95 112.80 2wet s ARG 376 Ca -0.05 -0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 54.30 2wet s ARG 376 Cb 0.17 -4.13 -0.10 0.00 0.52 0.00 0.00 34.95 31.41 2wet s ARG 376 CO 0.69 -1.59 1.42 -1.58 0.02 0.00 0.00 175.30 174.27 2wet s TRP 377 N 3.85 2.97 -0.32 -0.53 0.52 -1.25 -5.00 118.94 119.19 2wet s TRP 377 Ca 0.25 1.12 0.03 0.00 0.02 0.00 0.00 56.10 57.52 2wet s TRP 377 Cb -0.15 -3.82 0.09 0.00 -1.15 0.00 0.00 33.47 28.44 2wet s TRP 377 CO 0.15 -2.56 0.03 0.34 0.02 0.00 0.00 176.95 174.93 2wet s ASP 378 N 0.13 4.51 0.48 2.95 -1.08 -1.26 -4.98 116.67 117.42 2wet s ASP 378 Ca 0.56 -1.89 0.14 0.00 -0.52 0.00 0.00 52.55 50.85 2wet s ASP 378 Cb -0.42 -1.44 1.14 0.00 -1.46 0.00 0.00 42.92 40.74 2wet s ASP 378 CO 0.48 -0.35 2.10 -0.65 0.52 0.00 0.00 175.17 177.26 2wet h PRO 379 N 7.75 0.10 -0.32 4.34 0.11 -1.99 -1.14 132.00 140.85 2wet h PRO 379 Ca -0.09 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.90 2wet h PRO 379 Cb 1.03 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 2wet h PRO 379 CO 0.49 0.11 -0.25 0.28 -0.21 0.00 0.00 178.00 178.42 2wet h VAL 380 N 0.10 1.29 -0.41 3.15 2.07 -1.98 0.11 116.25 120.58 2wet h VAL 380 Ca 0.03 -1.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.12 2wet h VAL 380 Cb 0.06 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2wet h VAL 380 CO -0.00 0.45 0.16 0.25 0.02 0.00 0.00 177.57 178.45 2wet h LEU 381 N 0.49 0.57 -0.44 2.57 5.85 -1.80 -1.68 115.31 120.87 2wet h LEU 381 Ca 0.06 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.63 2wet h LEU 381 Cb 0.81 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 2wet h LEU 381 CO 0.07 0.59 0.26 0.40 -0.34 0.00 0.00 178.44 179.42 2wet h ILE 382 N 0.52 1.04 -0.53 4.05 2.04 -1.16 -1.41 117.51 122.05 2wet h ILE 382 Ca 0.14 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.83 2wet h ILE 382 Cb 0.21 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 2wet h ILE 382 CO -0.01 0.09 0.35 -1.28 0.00 0.00 0.00 178.15 177.31 2wet h SER 383 N 0.52 0.60 -0.14 1.72 0.87 -0.58 -0.44 113.55 116.10 2wet h SER 383 Ca 0.18 -0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.58 2wet h SER 383 Cb 0.02 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 2wet h SER 383 CO -0.09 0.43 -0.43 0.00 -0.53 0.00 0.00 176.83 176.21 2wet h ALA 384 N 1.67 0.73 0.08 6.23 0.00 -0.74 -1.84 119.26 125.39 2wet h ALA 384 Ca 0.20 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2wet h ALA 384 Cb -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2wet h ALA 384 CO -0.04 0.66 -0.04 -0.92 0.00 0.00 0.00 179.25 178.91 2wet h TYR 385 N 0.56 -0.09 -0.80 0.00 3.20 -0.49 -2.59 116.97 116.74 2wet h TYR 385 Ca 0.04 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.96 2wet h TYR 385 Cb 0.97 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 39.22 2wet h TYR 385 CO 0.05 -0.05 0.53 -0.91 -1.64 0.00 0.00 178.16 176.13 2wet h ASN 386 N -0.11 0.79 -0.28 -2.11 2.35 -1.03 -2.02 115.58 113.17 2wet h ASN 386 Ca -0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 2wet h ASN 386 Cb 0.09 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 2wet h ASN 386 CO 0.02 0.52 0.09 -0.33 -1.65 0.00 0.00 177.43 176.07 2wet h GLU 387 N 0.90 0.43 -0.65 0.81 4.39 -1.16 -1.50 114.58 117.80 2wet h GLU 387 Ca 0.34 -0.09 0.07 0.00 0.34 0.00 0.00 59.36 60.01 2wet h GLU 387 Cb 0.18 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.71 2wet h GLU 387 CO -0.11 0.49 0.34 0.00 -1.16 0.00 0.00 179.01 178.56 2wet h ARG 388 N 0.28 0.60 -0.37 2.33 3.08 -1.09 -0.90 114.38 118.31 2wet h ARG 388 Ca 0.09 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 59.98 2wet h ARG 388 Cb 0.24 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 2wet h ARG 388 CO -0.00 0.40 -0.24 0.52 -1.07 0.00 0.00 179.97 179.57 2wet h MET 389 N 0.62 0.82 -0.20 0.04 2.86 -1.22 -0.89 114.93 116.97 2wet h MET 389 Ca 0.30 -0.38 0.03 0.00 -2.06 0.00 0.00 59.70 57.59 2wet h MET 389 Cb 0.23 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 2wet h MET 389 CO -0.21 1.02 -0.00 0.00 1.06 0.00 0.00 176.91 178.78 2wet h ALA 390 N 0.78 0.17 -0.68 6.32 0.00 -1.19 -2.71 119.26 121.95 2wet h ALA 390 Ca 0.08 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2wet h ALA 390 Cb 0.81 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2wet h ALA 390 CO 0.07 -0.44 0.23 0.45 0.00 0.00 0.00 179.25 179.56 2wet h HIS 391 N 0.06 1.06 -0.47 0.00 -0.00 -1.03 -0.05 115.15 114.72 2wet h HIS 391 Ca 0.09 -0.09 0.04 0.00 -0.00 0.00 0.00 60.37 60.41 2wet h HIS 391 Cb 0.12 -0.31 -0.04 0.00 -0.00 0.00 0.00 27.41 27.17 2wet h HIS 391 CO -0.18 0.84 0.23 1.98 -0.00 0.00 0.00 177.93 180.80 2wet h MET 392 N 1.00 0.44 0.18 2.45 -1.53 -1.05 -0.12 114.93 116.30 2wet h MET 392 Ca 0.22 -0.03 -0.26 0.00 -3.44 0.00 0.00 59.70 56.20 2wet h MET 392 Cb 0.26 -0.10 0.02 0.00 -0.55 0.00 0.00 31.60 31.24 2wet h MET 392 CO -0.01 0.29 -1.16 0.28 0.14 0.00 0.00 176.91 176.45 2wet h VAL 393 N 0.45 1.35 -0.68 -5.77 2.07 -1.21 -3.16 116.25 109.29 2wet h VAL 393 Ca 0.21 -2.58 0.04 0.00 0.82 0.00 0.00 66.70 65.19 2wet h VAL 393 Cb 0.12 3.08 -0.04 0.00 -1.52 0.00 0.00 31.29 32.93 2wet h VAL 393 CO -0.15 0.76 0.45 0.44 0.02 0.00 0.00 177.57 179.08 2wet h ASP 394 N -0.16 0.68 -0.55 0.57 3.32 -0.92 -0.33 116.42 119.03 2wet h ASP 394 Ca -0.21 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.80 2wet h ASP 394 Cb 1.87 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 41.24 2wet h ASP 394 CO 0.19 0.46 0.22 1.23 -1.72 0.00 0.00 179.24 179.62 2wet h GLY 395 N 0.79 0.88 0.99 2.75 0.00 -1.08 -2.21 103.07 105.19 2wet h GLY 395 Ca 0.28 -0.48 -0.13 0.00 0.00 0.00 0.00 47.33 47.00 2wet h GLY 395 CO -0.08 0.45 -0.32 -2.08 0.00 0.00 0.00 176.54 174.51 2wet h VAL 396 N 0.75 1.30 -0.48 4.60 2.07 -1.39 -2.17 116.25 120.92 2wet h VAL 396 Ca 0.18 -1.50 0.09 0.00 0.82 0.00 0.00 66.70 66.30 2wet h VAL 396 Cb 0.20 1.60 -0.08 0.00 -1.52 0.00 0.00 31.29 31.48 2wet h VAL 396 CO -0.01 0.48 -0.04 0.50 0.02 0.00 0.00 177.57 178.52 2wet h LYS 397 N 0.47 0.07 -0.59 1.57 3.64 -0.99 0.13 116.57 120.87 2wet h LYS 397 Ca 0.04 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 2wet h LYS 397 Cb 0.90 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 2wet h LYS 397 CO 0.08 0.05 0.10 1.49 -2.27 0.00 0.00 179.45 178.90 2wet h GLU 398 N 0.07 0.97 -0.57 1.90 4.81 -1.28 -1.86 114.58 118.62 2wet h GLU 398 Ca 0.24 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2wet h GLU 398 Cb 0.36 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 2wet h GLU 398 CO -0.43 0.92 0.30 0.35 -0.73 0.00 0.00 179.01 179.41 2wet h PHE 399 N 0.88 0.77 -0.14 0.92 3.57 -0.69 -2.62 116.94 119.63 2wet h PHE 399 Ca 0.18 -0.01 -0.22 0.00 3.53 0.00 0.00 57.97 61.44 2wet h PHE 399 Cb 0.41 -0.25 0.01 0.00 2.79 0.00 0.00 35.95 38.91 2wet h PHE 399 CO 0.03 0.55 -0.80 -0.07 -2.23 0.00 0.00 178.31 175.80 2wet h LEU 400 N 0.79 0.91 -1.48 0.59 3.38 -0.28 -2.99 115.31 116.23 2wet h LEU 400 Ca 0.20 -0.60 0.01 0.00 0.09 0.00 0.00 57.88 57.57 2wet h LEU 400 Cb 0.05 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2wet h LEU 400 CO -0.03 1.40 0.35 0.58 0.09 0.00 0.00 178.44 180.83 2wet h VAL 401 N 0.51 1.14 -0.44 1.22 2.07 -1.20 -0.74 116.25 118.81 2wet h VAL 401 Ca -0.06 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.27 2wet h VAL 401 Cb 1.42 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2wet h VAL 401 CO 0.16 0.13 0.30 0.25 0.02 0.00 0.00 177.57 178.43 2wet h LEU 402 N 0.71 0.34 -0.19 2.57 5.85 -1.33 -0.21 115.31 123.07 2wet h LEU 402 Ca 0.19 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 2wet h LEU 402 Cb -0.08 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2wet h LEU 402 CO -0.04 0.23 0.10 0.45 -0.34 0.00 0.00 178.44 178.84 2wet h HIS 403 N 0.39 0.25 0.00 1.25 3.86 -1.03 -0.94 115.15 118.94 2wet h HIS 403 Ca 0.19 -0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.30 2wet h HIS 403 Cb 0.26 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 2wet h HIS 403 CO -0.00 0.23 -0.45 1.88 0.86 0.00 0.00 177.93 180.46 2wet h TYR 404 N 0.20 0.00 0.00 2.45 0.05 -1.28 -1.96 116.97 116.43 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 0.06 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 2wet h TYR 404 CO -0.04 0.45 -0.70 0.87 -1.05 0.00 0.00 178.16 177.68 2wet h LYS 405 N 0.00 0.00 0.00 4.88 1.79 -0.93 -3.27 116.57 119.03 2wet h LYS 405 Ca -0.00 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 2wet h LYS 405 Cb 0.87 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.51 2wet h LYS 405 CO 0.06 0.70 -0.73 0.78 -1.08 0.00 0.00 179.45 179.18 2wet h GLY 406 N 2.93 0.00 -5.26 3.86 0.00 -0.96 -3.45 103.07 100.19 2wet h GLY 406 Ca -0.01 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.79 2wet h GLY 406 CO 0.09 0.00 1.18 0.00 0.00 0.00 0.00 176.54 177.81 2wet s ALA 407 N -3.02 3.63 -0.69 3.60 0.00 -0.76 -4.35 121.76 120.16 2wet s ALA 407 Ca 0.02 1.29 0.24 0.00 0.00 0.00 0.00 51.96 53.52 2wet s ALA 407 Cb 0.08 -3.81 0.32 0.00 0.00 0.00 0.00 23.12 19.71 2wet s ALA 407 CO 0.76 -1.46 1.28 1.04 0.00 0.00 0.00 175.76 177.38 2wet n GLN 408 N 7.05 0.24 -1.84 0.00 6.02 -1.17 -4.94 117.38 122.75 2wet n GLN 408 Ca 0.19 0.06 -0.40 0.00 -0.01 0.00 0.00 57.00 56.83 2wet n GLN 408 Cb 0.41 -1.64 0.01 0.00 1.02 0.00 0.00 30.24 30.04 2wet n GLN 408 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2wet s ARG 409 N -3.15 3.91 -0.18 -1.09 1.70 -1.07 -4.96 118.95 114.12 2wet s ARG 409 Ca 0.07 2.45 0.23 0.00 -0.47 0.00 0.00 55.73 58.00 2wet s ARG 409 Cb 0.14 -2.81 0.46 0.00 -0.57 0.00 0.00 34.95 32.18 2wet s ARG 409 CO 0.73 -0.65 1.15 0.39 -1.08 0.00 0.00 175.30 175.84 2wet n GLU 410 N 0.13 1.14 0.01 3.89 1.02 -1.26 -4.67 120.64 120.90 2wet n GLU 410 Ca 0.03 -2.84 0.11 0.00 -0.02 0.00 0.00 57.16 54.44 2wet n GLU 410 Cb 0.41 -0.94 0.03 0.00 -0.02 0.00 0.00 31.44 30.92 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 -0.32 0.69 -4.26 1.62 5.75 -1.26 -4.57 116.55 114.21 2wet n ASP 411 Ca 0.04 -0.49 -0.14 0.00 -0.01 0.00 0.00 54.79 54.19 2wet n ASP 411 Cb 0.91 0.77 -0.10 0.00 -1.03 0.00 0.00 41.12 41.66 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 -3.09 1.15 0.33 2.12 -4.23 -1.26 -5.02 115.64 105.64 2wet s THR 412 Ca 0.07 -2.06 0.12 0.00 -1.18 0.00 0.00 61.69 58.64 2wet s THR 412 Cb 0.16 -1.89 0.34 0.00 1.34 0.00 0.00 72.50 72.44 2wet s THR 412 CO 0.80 -0.71 1.64 -0.65 -0.54 0.00 0.00 174.62 175.16 2wet h PRO 413 N 2.75 0.21 -0.07 3.99 0.11 -1.91 -0.82 132.00 136.27 2wet h PRO 413 Ca -0.37 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.75 2wet h PRO 413 Cb 1.19 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2wet h PRO 413 CO 0.64 0.14 -0.03 -0.92 -0.21 0.00 0.00 178.00 177.62 2wet h TYR 414 N 0.22 -0.07 -0.03 0.65 3.20 -1.95 -0.92 116.97 118.07 2wet h TYR 414 Ca 0.71 0.01 -0.19 0.00 3.14 0.00 0.00 58.73 62.39 2wet h TYR 414 Cb 1.63 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.94 2wet h TYR 414 CO -0.10 -0.05 -0.81 -1.49 -1.64 0.00 0.00 178.16 174.08 2wet h TRP 415 N -0.02 0.45 -0.68 -3.82 4.06 -1.52 -1.74 115.95 112.69 2wet h TRP 415 Ca 0.04 -0.22 0.06 0.00 2.06 0.00 0.00 58.89 60.83 2wet h TRP 415 Cb 0.08 -0.06 -0.06 0.00 -1.00 0.00 0.00 29.16 28.12 2wet h TRP 415 CO -0.14 1.00 0.37 0.87 -3.56 0.00 0.00 178.44 176.99 2wet h LYS 416 N 0.20 0.66 -0.11 0.49 1.57 -1.12 -2.92 116.57 115.34 2wet h LYS 416 Ca -0.04 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.53 2wet h LYS 416 Cb 1.40 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 2wet h LYS 416 CO 0.13 0.44 -0.64 0.00 -0.57 0.00 0.00 179.45 178.80 2wet h ALA 417 N 1.36 0.69 -0.56 3.86 0.00 -0.91 -2.99 119.26 120.71 2wet h ALA 417 Ca 0.31 -0.56 0.02 0.00 0.00 0.00 0.00 54.91 54.68 2wet h ALA 417 Cb 0.21 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2wet h ALA 417 CO -0.20 0.73 0.37 0.00 0.00 0.00 0.00 179.25 180.16 2wet h ALA 418 N 1.01 1.68 -0.35 0.00 0.00 -1.19 -1.14 119.26 119.28 2wet h ALA 418 Ca -0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2wet h ALA 418 Cb 1.19 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2wet h ALA 418 CO 0.11 0.27 -0.01 -0.22 0.00 0.00 0.00 179.25 179.40 2wet h LYS 419 N 0.68 0.55 -0.01 0.00 3.64 -1.36 -3.21 116.57 116.87 2wet h LYS 419 Ca 0.22 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2wet h LYS 419 Cb 0.03 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2wet h LYS 419 CO -0.05 0.58 -0.46 0.25 -2.27 0.00 0.00 179.45 177.50 2wet n THR 420 N -4.27 0.00 -1.68 1.00 -2.24 -1.00 -5.02 114.28 101.07 2wet n THR 420 Ca 0.02 -0.27 -0.38 0.00 -2.27 0.00 0.00 64.05 61.15 2wet n THR 420 Cb 0.26 1.09 0.05 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 -0.72 1.24 -1.34 -0.78 0.63 -0.46 -4.94 116.66 110.28 2wet n ARG 421 Ca 0.04 0.47 -0.35 0.00 -0.92 0.00 0.00 57.85 57.09 2wet n ARG 421 Cb 0.26 -2.37 0.09 0.00 0.45 0.00 0.00 32.46 30.89 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 -1.45 -0.08 -2.43 5.13 0.00 -1.26 -5.04 120.51 115.37 2wet n ALA 422 Ca 0.13 -0.20 -0.27 0.00 0.00 0.00 0.00 53.44 53.10 2wet n ALA 422 Cb 0.46 -2.16 -0.11 0.00 0.00 0.00 0.00 19.45 17.63 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 -3.49 1.56 0.80 0.00 1.00 -1.26 -4.59 119.30 113.32 2wet s MET 423 Ca 0.74 -1.53 -0.13 0.00 0.00 0.00 0.00 55.69 54.77 2wet s MET 423 Cb -0.34 -1.86 0.08 0.00 0.00 0.00 0.00 34.83 32.72 2wet s MET 423 CO 0.49 0.40 1.18 -2.14 0.00 0.00 0.00 175.02 174.95 2wet s PRO 424 N -2.74 1.74 0.29 2.03 0.02 -1.26 -4.94 135.00 130.14 2wet s PRO 424 Ca 0.22 1.64 -0.30 0.00 0.02 0.00 0.00 61.00 62.58 2wet s PRO 424 Cb -0.08 -1.80 -0.12 0.00 0.02 0.00 0.00 34.50 32.52 2wet s PRO 424 CO 0.10 -2.11 1.56 -0.25 -0.33 0.00 0.00 177.00 175.97 2wet n ASP 425 N -3.33 3.66 0.00 2.53 9.92 -1.26 -2.93 116.55 125.14 2wet n ASP 425 Ca 0.13 1.15 0.00 0.00 -0.53 0.00 0.00 54.79 55.54 2wet n ASP 425 Cb 0.51 -1.57 0.00 0.00 -0.64 0.00 0.00 41.12 39.42 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 2.08 2.59 0.22 0.44 0.00 -1.26 -4.91 105.19 104.35 2wet n GLY 426 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 0.74 -0.29 0.99 5.85 -1.91 -2.78 115.31 117.91 2wet h LEU 427 Ca 0.00 -0.42 0.06 0.00 0.84 0.00 0.00 57.88 58.37 2wet h LEU 427 Cb 0.00 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.75 2wet h LEU 427 CO 0.00 1.17 -0.12 0.00 -0.34 0.00 0.00 178.44 179.14 2wet h ALA 428 N 0.84 0.12 -0.67 1.25 0.00 -1.91 0.63 119.26 119.52 2wet h ALA 428 Ca -0.00 0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.11 2wet h ALA 428 Cb 1.17 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 19.19 2wet h ALA 428 CO 0.12 -0.52 0.31 -0.09 0.00 0.00 0.00 179.25 179.07 2wet h ARG 429 N -0.07 0.52 -0.39 0.00 9.65 -1.94 0.33 114.38 122.47 2wet h ARG 429 Ca 0.15 -0.03 -0.06 0.00 -1.10 0.00 0.00 59.98 58.94 2wet h ARG 429 Cb 0.30 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 2wet h ARG 429 CO -0.34 0.34 -0.00 0.87 2.80 0.00 0.00 179.97 183.65 2wet h LYS 430 N 0.53 0.61 -0.31 0.20 1.57 -0.97 -0.31 116.57 117.90 2wet h LYS 430 Ca 0.33 -0.14 -0.13 0.00 -1.87 0.00 0.00 60.65 58.84 2wet h LYS 430 Cb 0.37 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 2wet h LYS 430 CO -0.28 0.64 -0.32 -0.07 -0.57 0.00 0.00 179.45 178.85 2wet h LEU 431 N 0.58 0.82 -0.57 2.94 3.38 -0.17 -1.37 115.31 120.91 2wet h LEU 431 Ca 0.12 -0.47 0.03 0.00 0.09 0.00 0.00 57.88 57.65 2wet h LEU 431 Cb 0.37 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2wet h LEU 431 CO 0.01 1.12 0.34 -0.33 0.09 0.00 0.00 178.44 179.68 2wet h GLU 432 N 0.52 0.66 -0.12 1.13 5.08 -0.55 -2.76 114.58 118.54 2wet h GLU 432 Ca 0.05 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2wet h GLU 432 Cb 0.90 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2wet h GLU 432 CO 0.08 0.43 0.04 -0.07 -1.00 0.00 0.00 179.01 178.49 2wet h LEU 433 N 0.68 0.05 -2.02 1.33 3.38 -1.01 -3.08 115.31 114.64 2wet h LEU 433 Ca 0.23 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 2wet h LEU 433 Cb 0.03 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2wet h LEU 433 CO -0.10 0.05 -0.10 0.28 0.09 0.00 0.00 178.44 178.65 2wet h SER 434 N 0.10 0.00 1.35 -0.43 0.02 -1.11 0.21 113.55 113.69 2wet h SER 434 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2wet h SER 434 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2wet h SER 434 CO -0.05 0.10 0.00 0.00 -1.14 0.00 0.00 176.83 175.73 2wet h ALA 435 N 1.90 1.00 0.00 3.77 0.00 -1.40 -3.12 119.26 121.41 2wet h ALA 435 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.49 2wet h ALA 435 Cb 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 2wet h ALA 435 CO 0.01 0.00 -2.35 0.45 0.00 0.00 0.00 179.25 177.36 2wet n SER 436 N -2.50 1.95 -3.43 0.00 2.88 0.47 -1.52 113.62 111.47 2wet n SER 436 Ca 0.04 0.29 -0.07 0.00 -1.33 0.00 0.00 58.87 57.79 2wet n SER 436 Cb 0.39 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 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 -2.49 -0.04 0.38 0.66 0.00 0.33 -4.38 115.29 109.76 2wet s HIS 437 Ca -0.37 -0.50 -0.25 0.00 -3.00 0.00 0.00 55.06 50.95 2wet s HIS 437 Cb 0.13 0.76 -0.09 0.00 -4.00 0.00 0.00 32.58 29.38 2wet s HIS 437 CO 0.53 -1.32 1.09 -0.51 -1.00 0.00 0.00 174.74 173.53 2wet s LEU 438 N -3.02 4.21 0.63 5.38 1.43 -1.26 -3.50 118.68 122.56 2wet s LEU 438 Ca 0.14 2.16 -0.16 0.00 -1.03 0.00 0.00 54.13 55.23 2wet s LEU 438 Cb -0.05 -4.06 -0.01 0.00 0.03 0.00 0.00 46.19 42.09 2wet s LEU 438 CO 0.08 -0.50 1.13 -0.76 0.23 0.00 0.00 176.35 176.53 2wet s LEU 439 N -2.44 3.49 0.00 1.79 1.43 -1.26 -4.95 118.68 116.74 2wet s LEU 439 Ca 0.56 2.11 0.01 0.00 -1.03 0.00 0.00 54.13 55.78 2wet s LEU 439 Cb -0.26 -4.57 -0.00 0.00 0.03 0.00 0.00 46.19 41.39 2wet s LEU 439 CO 0.33 -1.60 0.03 -0.90 0.23 0.00 0.00 176.35 174.43 2wet n ASP 440 N -2.12 -0.07 -0.13 2.29 5.68 -1.26 -4.86 116.55 116.08 2wet n ASP 440 Ca 0.11 -1.21 0.14 0.00 -0.50 0.00 0.00 54.79 53.34 2wet n ASP 440 Cb 0.51 0.17 0.51 0.00 -1.14 0.00 0.00 41.12 41.17 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 0.38 0.00 0.11 3.07 -1.96 -1.14 114.58 115.03 2wet h GLU 441 Ca -0.02 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 2wet h GLU 441 Cb 0.12 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 2wet h GLU 441 CO 0.03 0.25 -0.17 1.96 -1.40 0.00 0.00 179.01 179.69 2wet h GLN 442 N 0.39 0.00 -0.00 2.33 1.08 -1.98 -3.38 115.11 113.55 2wet h GLN 442 Ca 0.33 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.53 2wet h GLN 442 Cb 0.75 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.18 2wet h GLN 442 CO -0.10 0.00 -0.02 0.25 -0.95 0.00 0.00 178.83 178.02 2wet n THR 443 N -2.27 0.00 -1.76 -0.54 -2.24 -0.50 -4.96 114.28 102.01 2wet n THR 443 Ca 0.05 -0.49 -0.30 0.00 -2.27 0.00 0.00 64.05 61.04 2wet n THR 443 Cb 0.44 1.00 0.19 0.00 -2.10 0.00 0.00 70.33 69.86 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 -0.76 1.93 -0.04 2.28 -4.36 -0.78 -4.85 121.20 114.61 2wet s ILE 444 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 60.65 60.05 2wet s ILE 444 Cb 0.00 -2.90 -0.12 0.00 1.25 0.00 0.00 42.46 40.69 2wet s ILE 444 CO 0.02 0.00 1.80 0.00 0.24 0.00 0.00 174.94 176.99 2wet n TYR 445 N -3.92 2.29 0.63 1.37 9.36 -1.26 -4.89 117.16 120.74 2wet n TYR 445 Ca 0.14 0.09 0.13 0.00 3.32 0.00 0.00 57.90 61.59 2wet n TYR 445 Cb 0.60 -2.62 0.41 0.00 -0.63 0.00 0.00 39.34 37.10 2wet n TYR 445 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2wet n PRO 446 N 5.79 0.25 -3.79 2.98 -0.04 -1.26 -4.84 135.00 134.09 2wet n PRO 446 Ca 0.22 0.22 -0.20 0.00 -0.04 0.00 0.00 63.50 63.69 2wet n PRO 446 Cb 0.28 -1.80 -0.02 0.00 -0.04 0.00 0.00 33.50 31.92 2wet n PRO 446 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2wet s TYR 447 N -3.11 3.19 0.11 0.54 2.02 -1.26 -5.04 117.35 113.81 2wet s TYR 447 Ca 0.10 -0.15 -0.31 0.00 -0.37 0.00 0.00 57.07 56.35 2wet s TYR 447 Cb 0.12 -1.73 -0.09 0.00 -0.40 0.00 0.00 41.96 39.86 2wet s TYR 447 CO 0.59 0.26 1.69 -0.47 -1.57 0.00 0.00 175.55 176.04 2wet s TYR 448 N -2.12 2.51 0.00 2.71 5.04 -1.26 -4.85 117.35 119.37 2wet s TYR 448 Ca 0.39 0.29 0.12 0.00 -2.44 0.00 0.00 57.07 55.43 2wet s TYR 448 Cb -0.08 -4.03 0.20 0.00 0.35 0.00 0.00 41.96 38.40 2wet s TYR 448 CO 0.29 -4.07 1.03 -2.39 -1.34 0.00 0.00 175.55 169.06 2wet n HIS 449 N 5.18 0.00 0.00 4.97 1.44 -1.26 -3.49 115.22 122.06 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 0.39 0.08 0.00 0.00 0.12 0.00 0.00 29.99 30.58 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 0.23 1.55 3.84 -1.39 0.00 -1.26 -4.66 105.19 103.49 2wet n GLY 450 Ca -0.05 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.03 3.45 0.52 1.61 0.40 -1.26 -5.03 117.98 117.64 2wet s PHE 451 Ca 0.00 1.29 0.06 0.00 -0.60 0.00 0.00 56.93 57.68 2wet s PHE 451 Cb 0.00 -2.57 0.03 0.00 0.51 0.00 0.00 43.02 40.98 2wet s PHE 451 CO 0.00 0.16 0.40 -1.21 0.70 0.00 0.00 175.22 175.27 2wet s GLU 452 N -2.69 2.29 0.17 0.44 2.02 -1.26 -5.03 118.70 114.65 2wet s GLU 452 Ca 0.51 -1.92 -0.16 0.00 0.02 0.00 0.00 54.97 53.42 2wet s GLU 452 Cb -0.12 -2.15 0.13 0.00 0.10 0.00 0.00 34.13 32.08 2wet s GLU 452 CO 0.18 -0.54 1.67 1.15 0.02 0.00 0.00 175.26 177.75 2wet h THR 453 N 0.81 0.58 -0.89 3.63 2.02 -1.97 -2.31 112.91 114.78 2wet h THR 453 Ca -0.37 -0.01 0.17 0.00 0.77 0.00 0.00 66.41 66.97 2wet h THR 453 Cb 1.29 0.55 -0.07 0.00 -1.74 0.00 0.00 68.15 68.19 2wet h THR 453 CO 0.57 0.00 0.58 0.10 0.37 0.00 0.00 175.52 177.15 2wet h TYR 454 N 0.03 0.71 -0.15 3.16 -0.00 -1.95 -0.76 116.97 118.00 2wet h TYR 454 Ca 0.21 0.02 -0.01 0.00 0.00 0.00 0.00 58.73 58.96 2wet h TYR 454 Cb 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 36.73 36.83 2wet h TYR 454 CO -0.36 0.23 0.05 0.77 -0.00 0.00 0.00 178.16 178.85 2wet h SER 455 N 0.57 0.22 -0.53 0.10 0.02 -1.79 0.23 113.55 112.36 2wet h SER 455 Ca 0.46 -0.19 0.03 0.00 -0.84 0.00 0.00 61.79 61.26 2wet h SER 455 Cb 0.91 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.36 2wet h SER 455 CO -0.20 0.34 0.31 -0.50 -1.14 0.00 0.00 176.83 175.64 2wet h TRP 456 N 0.08 0.57 -0.26 3.45 4.06 -1.21 -2.30 115.95 120.34 2wet h TRP 456 Ca 0.05 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 61.00 2wet h TRP 456 Cb 0.20 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 28.17 2wet h TRP 456 CO -0.01 0.31 0.08 0.82 -3.56 0.00 0.00 178.44 176.08 2wet h ILE 457 N 0.60 1.20 -0.50 1.49 2.04 -0.92 -2.70 117.51 118.74 2wet h ILE 457 Ca 0.22 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 2wet h ILE 457 Cb 0.06 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 2wet h ILE 457 CO -0.11 0.21 0.25 0.74 0.00 0.00 0.00 178.15 179.23 2wet h THR 458 N 0.25 1.19 -0.32 -0.27 2.02 -0.43 -0.30 112.91 115.05 2wet h THR 458 Ca 0.08 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 2wet h THR 458 Cb 0.25 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2wet h THR 458 CO -0.00 0.21 0.12 0.24 0.37 0.00 0.00 175.52 176.46 2wet h MET 459 N 0.66 0.49 -0.04 6.66 2.86 -1.44 0.19 114.93 124.31 2wet h MET 459 Ca 0.17 -0.09 0.03 0.00 -2.06 0.00 0.00 59.70 57.74 2wet h MET 459 Cb 0.10 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 2wet h MET 459 CO -0.02 0.50 -0.11 -0.91 1.06 0.00 0.00 176.91 177.42 2wet h ASN 460 N 0.37 -0.34 -0.51 1.22 2.35 -1.11 -0.91 115.58 116.65 2wet h ASN 460 Ca 0.11 0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 55.80 2wet h ASN 460 Cb 0.20 0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 2wet h ASN 460 CO -0.01 -0.16 -0.12 -0.07 -1.65 0.00 0.00 177.43 175.42 2wet h LEU 461 N -0.17 1.00 -0.34 1.61 3.38 -0.95 0.33 115.31 120.17 2wet h LEU 461 Ca 0.06 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 2wet h LEU 461 Cb 0.25 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2wet h LEU 461 CO -0.15 1.12 -0.14 1.23 0.09 0.00 0.00 178.44 180.59 2wet h GLY 462 N 0.94 0.75 2.00 0.83 0.00 -0.90 -3.18 103.07 103.51 2wet h GLY 462 Ca 0.14 -0.67 -0.14 0.00 0.00 0.00 0.00 47.33 46.66 2wet h GLY 462 CO 0.05 0.61 -0.66 1.41 0.00 0.00 0.00 176.54 177.94 2wet h LEU 463 N 0.47 0.00 0.00 3.11 3.38 -1.10 -3.47 115.31 117.70 2wet h LEU 463 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2wet h LEU 463 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2wet h LEU 463 CO 0.05 0.66 0.00 0.61 0.09 0.00 0.00 178.44 179.85 2wet n GLY 464 N 0.41 1.84 3.39 0.83 0.00 -0.04 -4.40 105.19 107.22 2wet n GLY 464 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 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 4.85 -0.04 -0.61 1.01 0.95 -5.00 121.20 120.36 2wet s ILE 465 Ca 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.78 2wet s ILE 465 Cb 0.00 -4.43 0.01 0.00 0.01 0.00 0.00 42.46 38.05 2wet s ILE 465 CO 0.00 -1.03 -0.10 -0.69 0.00 0.00 0.00 174.94 173.12 2wet s VAL 466 N 2.62 0.90 0.36 2.92 1.01 -1.26 -3.85 120.40 123.10 2wet s VAL 466 Ca 0.12 -0.39 -0.27 0.00 0.00 0.00 0.00 61.98 61.44 2wet s VAL 466 Cb -0.23 -0.81 -0.12 0.00 0.00 0.00 0.00 36.38 35.22 2wet s VAL 466 CO 0.07 0.29 1.16 -2.65 0.00 0.00 0.00 175.10 173.97 2wet n PRO 467 N 3.50 1.74 -0.25 2.72 -0.02 -1.18 -4.68 135.00 136.83 2wet n PRO 467 Ca -0.20 0.61 0.02 0.00 -2.02 0.00 0.00 63.50 61.91 2wet n PRO 467 Cb 0.53 -2.16 0.14 0.00 -0.02 0.00 0.00 33.50 31.99 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 2.11 0.55 -4.85 -0.52 4.81 -1.47 -3.44 114.58 111.77 2wet h GLU 468 Ca -0.44 -0.03 -0.30 0.00 -0.13 0.00 0.00 59.36 58.45 2wet h GLU 468 Cb 1.31 -0.12 -0.15 0.00 0.63 0.00 0.00 28.75 30.42 2wet h GLU 468 CO 0.60 0.36 -0.66 1.03 -0.73 0.00 0.00 179.01 179.62 2wet s ARG 469 N -6.05 1.15 1.04 1.92 0.52 -1.26 -5.15 118.95 111.12 2wet s ARG 469 Ca -0.13 -1.56 -0.12 0.00 -0.52 0.00 0.00 55.73 53.41 2wet s ARG 469 Cb 0.18 -0.32 0.22 0.00 0.52 0.00 0.00 34.95 35.55 2wet s ARG 469 CO 0.76 -0.13 1.08 -2.14 0.02 0.00 0.00 175.30 174.89 2wet s PRO 470 N -3.91 0.02 -0.01 3.54 0.02 -1.26 -4.88 135.00 128.52 2wet s PRO 470 Ca 0.25 1.11 -0.30 0.00 0.02 0.00 0.00 61.00 62.08 2wet s PRO 470 Cb 0.06 -1.64 -0.05 0.00 0.02 0.00 0.00 34.50 32.88 2wet s PRO 470 CO 0.05 -3.17 1.43 0.50 -0.33 0.00 0.00 177.00 175.48 2wet s ARG 471 N -4.58 4.27 0.45 5.54 3.52 -1.26 -4.89 118.95 122.00 2wet s ARG 471 Ca 0.67 1.99 0.13 0.00 -0.13 0.00 0.00 55.73 58.40 2wet s ARG 471 Cb -0.23 -3.62 1.06 0.00 -1.56 0.00 0.00 34.95 30.60 2wet s ARG 471 CO 0.61 -0.62 2.03 -1.35 -0.81 0.00 0.00 175.30 175.17 2wet h PRO 472 N 8.02 0.33 -0.93 5.12 0.11 -1.99 -1.36 132.00 141.30 2wet h PRO 472 Ca -0.38 -0.02 0.17 0.00 0.11 0.00 0.00 66.00 65.89 2wet h PRO 472 Cb 1.18 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 32.13 2wet h PRO 472 CO 0.91 0.22 0.60 0.00 -0.21 0.00 0.00 178.00 179.51 2wet h ALA 473 N 1.77 1.89 0.00 -0.75 0.00 -2.01 -1.99 119.26 118.17 2wet h ALA 473 Ca 0.19 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2wet h ALA 473 Cb 0.33 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2wet h ALA 473 CO -0.04 -0.18 -0.01 -0.07 0.00 0.00 0.00 179.25 178.95 2wet h LEU 474 N 0.64 0.00 -1.56 0.00 3.38 -1.63 -1.43 115.31 114.70 2wet h LEU 474 Ca 0.49 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.43 2wet h LEU 474 Cb 0.89 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 2wet h LEU 474 CO -0.24 0.01 -0.15 -0.07 0.09 0.00 0.00 178.44 178.07 2wet h LEU 475 N 0.00 0.00 -0.82 1.67 3.38 -1.51 -2.34 115.31 115.69 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 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2wet h LEU 475 CO 0.00 0.15 0.00 1.41 0.09 0.00 0.00 178.44 180.09 2wet n HIS 476 N -3.46 0.14 -4.42 1.13 8.25 -0.54 -4.94 115.22 111.39 2wet n HIS 476 Ca -0.01 -0.07 -0.26 0.00 -0.26 0.00 0.00 57.72 57.12 2wet n HIS 476 Cb 0.32 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.32 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 -1.86 1.50 -0.07 -0.41 -1.94 -0.88 -5.09 119.30 110.55 2wet s MET 477 Ca 0.32 -1.52 -0.30 0.00 -1.71 0.00 0.00 55.69 52.48 2wet s MET 477 Cb 0.17 -1.78 -0.05 0.00 2.01 0.00 0.00 34.83 35.18 2wet s MET 477 CO 0.26 0.38 1.58 0.34 -0.01 0.00 0.00 175.02 177.57 2wet s ASP 478 N -2.71 6.72 0.00 3.03 2.15 -1.26 -4.90 116.67 119.70 2wet s ASP 478 Ca 0.21 2.14 0.29 0.00 0.43 0.00 0.00 52.55 55.61 2wet s ASP 478 Cb -0.08 -2.53 1.24 0.00 -0.30 0.00 0.00 42.92 41.25 2wet s ASP 478 CO 0.10 -0.89 1.91 -0.81 -0.17 0.00 0.00 175.17 175.31 2wet n PRO 479 N 7.00 0.12 -0.07 4.34 -0.04 -1.26 -4.30 135.00 140.78 2wet n PRO 479 Ca 0.17 -0.01 -0.07 0.00 -0.04 0.00 0.00 63.50 63.54 2wet n PRO 479 Cb 0.43 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.38 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 3.11 0.25 -0.76 0.55 0.00 -1.99 -1.77 119.26 118.65 2wet h ALA 480 Ca 0.00 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.04 2wet h ALA 480 Cb 0.45 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2wet h ALA 480 CO 0.00 -0.39 0.50 -1.35 0.00 0.00 0.00 179.25 178.01 2wet h PRO 481 N 0.11 0.76 0.06 0.00 0.11 -2.00 -0.12 132.00 130.93 2wet h PRO 481 Ca 0.12 -0.05 -0.27 0.00 0.11 0.00 0.00 66.00 65.92 2wet h PRO 481 Cb 0.14 -0.17 0.02 0.00 0.11 0.00 0.00 31.00 31.10 2wet h PRO 481 CO -0.19 0.50 -1.12 0.00 -0.21 0.00 0.00 178.00 176.99 2wet h ALA 482 N 1.59 0.14 -0.47 -0.75 0.00 -1.73 -2.22 119.26 115.82 2wet h ALA 482 Ca 0.33 -0.75 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 2wet h ALA 482 Cb 0.29 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2wet h ALA 482 CO -0.12 0.75 0.08 -0.07 0.00 0.00 0.00 179.25 179.90 2wet h LEU 483 N 0.27 0.67 -1.32 0.00 3.38 -1.04 -0.11 115.31 117.16 2wet h LEU 483 Ca -0.14 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 2wet h LEU 483 Cb 1.78 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 2wet h LEU 483 CO 0.21 0.69 -0.26 0.00 0.09 0.00 0.00 178.44 179.16 2wet h ALA 484 N 1.40 1.14 0.16 1.53 0.00 -0.98 -2.18 119.26 120.33 2wet h ALA 484 Ca 0.15 -0.24 -0.31 0.00 0.00 0.00 0.00 54.91 54.52 2wet h ALA 484 Cb 0.31 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.08 2wet h ALA 484 CO 0.00 0.33 -1.31 1.49 0.00 0.00 0.00 179.25 179.76 2wet h GLU 485 N 0.00 0.58 -0.68 0.00 4.57 -0.63 -1.60 114.58 116.82 2wet h GLU 485 Ca -0.00 -0.83 -0.01 0.00 -1.18 0.00 0.00 59.36 57.33 2wet h GLU 485 Cb 0.66 0.29 -0.03 0.00 -0.16 0.00 0.00 28.75 29.50 2wet h GLU 485 CO 0.03 1.38 0.39 0.74 -1.18 0.00 0.00 179.01 180.38 2wet h PHE 486 N 0.23 0.92 -0.51 0.92 -1.00 -0.88 -0.24 116.94 116.38 2wet h PHE 486 Ca -0.20 -0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.54 2wet h PHE 486 Cb 1.98 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 41.22 2wet h PHE 486 CO 0.11 0.64 0.22 0.93 -1.61 0.00 0.00 178.31 178.60 2wet h GLU 487 N 0.93 0.76 -0.68 1.51 4.39 -1.45 -1.49 114.58 118.54 2wet h GLU 487 Ca 0.24 -0.13 0.03 0.00 0.34 0.00 0.00 59.36 59.84 2wet h GLU 487 Cb 0.00 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.48 2wet h GLU 487 CO -0.04 0.65 0.43 -0.09 -1.16 0.00 0.00 179.01 178.80 2wet h ARG 488 N 0.69 0.82 -0.55 2.33 2.43 -0.66 -0.67 114.38 118.77 2wet h ARG 488 Ca 0.17 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2wet h ARG 488 Cb 0.17 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 2wet h ARG 488 CO -0.02 0.54 0.25 -0.07 -1.51 0.00 0.00 179.97 179.16 2wet h LEU 489 N 0.84 0.73 -1.02 3.80 3.38 -0.89 -0.38 115.31 121.78 2wet h LEU 489 Ca 0.27 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2wet h LEU 489 Cb 0.01 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 2wet h LEU 489 CO -0.10 0.67 0.39 -0.09 0.09 0.00 0.00 178.44 179.40 2wet h ARG 490 N 0.74 1.08 0.10 1.13 2.43 -0.52 -0.64 114.38 118.70 2wet h ARG 490 Ca 0.19 -0.14 -0.26 0.00 -0.81 0.00 0.00 59.98 58.95 2wet h ARG 490 Cb 0.15 -0.21 0.03 0.00 -0.42 0.00 0.00 29.97 29.52 2wet h ARG 490 CO -0.02 0.82 -1.10 -0.09 -1.51 0.00 0.00 179.97 178.07 2wet h ARG 491 N 1.08 0.56 -0.82 0.20 2.43 -0.95 -2.25 114.38 114.63 2wet h ARG 491 Ca 0.27 -0.74 -0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2wet h ARG 491 Cb 0.07 0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 29.83 2wet h ARG 491 CO -0.04 1.33 0.51 0.93 -1.51 0.00 0.00 179.97 181.19 2wet h GLU 492 N 0.15 1.10 -0.04 0.20 5.08 -0.98 -2.07 114.58 118.02 2wet h GLU 492 Ca -0.17 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2wet h GLU 492 Cb 1.79 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.80 2wet h GLU 492 CO 0.21 0.76 0.02 0.78 -1.00 0.00 0.00 179.01 179.79 2wet h GLY 493 N 1.14 0.06 0.15 -3.84 0.00 -1.10 -1.63 103.07 97.85 2wet h GLY 493 Ca 0.30 -0.02 0.11 0.00 0.00 0.00 0.00 47.33 47.71 2wet h GLY 493 CO -0.06 0.02 0.07 -0.55 0.00 0.00 0.00 176.54 176.03 2wet h ASP 494 N 0.01 -0.10 0.31 0.19 3.32 -1.20 -2.47 116.42 116.48 2wet h ASP 494 Ca 0.01 0.12 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 2wet h ASP 494 Cb 0.04 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2wet h ASP 494 CO -0.00 -0.03 -0.51 -0.33 -1.72 0.00 0.00 179.24 176.65 2wet h GLU 495 N 0.20 0.23 -0.09 3.56 5.08 -1.21 -3.06 114.58 119.29 2wet h GLU 495 Ca 0.30 -0.13 -0.16 0.00 -1.00 0.00 0.00 59.36 58.37 2wet h GLU 495 Cb 0.45 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.72 2wet h GLU 495 CO -0.42 0.68 -0.57 -0.07 -1.00 0.00 0.00 179.01 177.63 2wet h LEU 496 N 0.18 0.66 -1.23 1.33 3.38 -0.93 -2.51 115.31 116.19 2wet h LEU 496 Ca 0.01 -0.66 -0.05 0.00 0.09 0.00 0.00 57.88 57.27 2wet h LEU 496 Cb 0.96 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2wet h LEU 496 CO 0.08 1.21 -0.22 0.16 0.09 0.00 0.00 178.44 179.76 2wet h ILE 497 N 0.15 0.57 0.00 1.22 3.07 -1.50 0.76 117.51 121.78 2wet h ILE 497 Ca -0.05 -1.05 -0.18 0.00 1.55 0.00 0.00 64.86 65.13 2wet h ILE 497 Cb 1.22 1.71 -0.02 0.00 -0.27 0.00 0.00 36.82 39.46 2wet h ILE 497 CO 0.12 0.21 -0.87 0.00 -1.05 0.00 0.00 178.15 176.56 2wet h ALA 498 N 1.78 0.57 0.00 0.16 0.00 -1.52 -3.38 119.26 116.88 2wet h ALA 498 Ca -0.00 -0.77 -0.31 0.00 0.00 0.00 0.00 54.91 53.83 2wet h ALA 498 Cb 0.69 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 2wet h ALA 498 CO 0.03 1.04 -2.20 0.00 0.00 0.00 0.00 179.25 178.11 2wet n ALA 499 N -2.40 1.67 -1.87 0.00 0.00 -0.89 -4.97 120.51 112.05 2wet n ALA 499 Ca -0.01 -1.13 -0.36 0.00 0.00 0.00 0.00 53.44 51.94 2wet n ALA 499 Cb 0.82 -0.38 -0.06 0.00 0.00 0.00 0.00 19.45 19.83 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 -5.48 4.27 0.83 0.00 1.43 0.21 -4.92 118.68 115.03 2wet s LEU 500 Ca -0.09 1.70 -0.12 0.00 -1.03 0.00 0.00 54.13 54.59 2wet s LEU 500 Cb 0.07 -3.99 0.09 0.00 0.03 0.00 0.00 46.19 42.39 2wet s LEU 500 CO 0.84 -0.09 1.15 -2.16 0.23 0.00 0.00 176.35 176.31 2wet s PRO 501 N -2.23 1.82 0.89 1.29 0.04 -1.26 -4.88 135.00 130.66 2wet s PRO 501 Ca 0.50 0.27 -0.11 0.00 0.04 0.00 0.00 61.00 61.70 2wet s PRO 501 Cb -0.16 -1.92 0.12 0.00 0.04 0.00 0.00 34.50 32.58 2wet s PRO 501 CO 0.21 -1.73 1.09 -1.54 0.04 0.00 0.00 177.00 175.08 2wet s SER 502 N -4.29 3.52 0.14 6.66 1.04 -1.26 -1.20 113.70 118.30 2wet s SER 502 Ca 0.62 1.56 -0.19 0.00 0.48 0.00 0.00 55.95 58.42 2wet s SER 502 Cb -0.13 -2.23 0.01 0.00 0.10 0.00 0.00 66.02 63.77 2wet s SER 502 CO 0.51 -2.62 1.72 0.00 0.98 0.00 0.00 173.24 173.83 2wet h TYR 504 N 0.09 0.53 -0.44 0.00 3.20 -1.82 -2.78 116.97 115.75 2wet h TYR 504 Ca 0.12 -0.09 0.09 0.00 3.14 0.00 0.00 58.73 61.99 2wet h TYR 504 Cb 0.16 -0.14 -0.09 0.00 1.54 0.00 0.00 36.73 38.20 2wet h TYR 504 CO -0.20 0.64 -0.16 0.93 -1.64 0.00 0.00 178.16 177.73 2wet h GLU 505 N 0.27 -0.06 -0.36 1.82 5.08 -1.84 0.18 114.58 119.66 2wet h GLU 505 Ca 0.08 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2wet h GLU 505 Cb 0.43 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2wet h GLU 505 CO 0.01 -0.04 0.07 -0.92 -1.00 0.00 0.00 179.01 177.14 2wet h TYR 506 N -0.06 0.62 -0.88 4.33 3.20 -1.39 -2.42 116.97 120.35 2wet h TYR 506 Ca 0.21 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 2wet h TYR 506 Cb 0.39 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.45 2wet h TYR 506 CO -0.42 0.63 0.47 -0.07 -1.64 0.00 0.00 178.16 177.13 2wet h LEU 507 N 0.43 1.11 -0.65 2.82 3.38 -1.15 -2.06 115.31 119.19 2wet h LEU 507 Ca 0.11 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.05 2wet h LEU 507 Cb 0.33 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 2wet h LEU 507 CO 0.00 0.90 0.33 0.00 0.09 0.00 0.00 178.44 179.77 2wet h ALA 508 N 1.26 0.87 0.00 1.53 0.00 -0.50 -2.59 119.26 119.83 2wet h ALA 508 Ca 0.31 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2wet h ALA 508 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2wet h ALA 508 CO -0.05 -0.04 0.00 0.66 0.00 0.00 0.00 179.25 179.83 2wet h SER 509 N 0.59 0.00 -0.09 0.00 4.64 -0.87 -2.76 113.55 115.07 2wet h SER 509 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2wet h SER 509 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2wet h SER 509 CO -0.22 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.04 2wet n ILE 510 N -2.76 0.17 0.88 0.95 -5.35 -1.00 -5.12 119.36 107.13 2wet n ILE 510 Ca 0.00 -0.58 0.07 0.00 -0.27 0.00 0.00 62.75 61.97 2wet n ILE 510 Cb 0.20 1.16 0.42 0.00 -1.74 0.00 0.00 39.64 39.68 2wet n ILE 510 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79