#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wk1 h SER 15 N 0.00 0.70 -0.11 -1.12 4.64 -1.99 0.19 113.55 115.86 2wk1 h SER 15 Ca 0.00 0.09 -0.22 0.00 -0.47 0.00 0.00 61.79 61.19 2wk1 h SER 15 Cb 0.00 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2wk1 h SER 15 CO 0.00 0.23 -0.77 -1.28 -0.87 0.00 0.00 176.83 174.13 2wk1 h SER 16 N 0.67 0.91 -0.66 4.97 0.87 -1.99 -0.56 113.55 117.76 2wk1 h SER 16 Ca 0.58 -0.59 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2wk1 h SER 16 Cb 1.03 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.69 2wk1 h SER 16 CO -0.36 1.39 0.37 -0.07 -0.53 0.00 0.00 176.83 177.63 2wk1 h LEU 17 N 0.52 0.81 0.10 2.23 3.38 -1.94 -1.39 115.31 119.02 2wk1 h LEU 17 Ca -0.05 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 2wk1 h LEU 17 Cb 1.40 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2wk1 h LEU 17 CO 0.16 0.66 -0.05 0.22 0.09 0.00 0.00 178.44 179.52 2wk1 h TYR 18 N 0.90 -0.13 -0.23 1.13 3.20 -0.46 -1.86 116.97 119.51 2wk1 h TYR 18 Ca 0.23 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.98 2wk1 h TYR 18 Cb 0.02 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 2wk1 h TYR 18 CO -0.01 -0.08 -0.38 -0.07 -1.64 0.00 0.00 178.16 175.97 2wk1 h LEU 19 N -0.14 0.54 -0.49 2.82 3.38 -0.97 0.52 115.31 120.97 2wk1 h LEU 19 Ca -0.01 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.76 2wk1 h LEU 19 Cb 0.11 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 2wk1 h LEU 19 CO 0.02 0.87 0.27 0.44 0.09 0.00 0.00 178.44 180.13 2wk1 h ASP 20 N 0.43 0.42 -0.40 -0.43 3.32 -1.19 -1.72 116.42 116.85 2wk1 h ASP 20 Ca 0.04 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.96 2wk1 h ASP 20 Cb 0.86 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 2wk1 h ASP 20 CO 0.07 0.30 -0.30 0.25 -1.72 0.00 0.00 179.24 177.84 2wk1 h LEU 21 N 0.54 0.95 -0.81 1.55 5.85 -1.01 -2.89 115.31 119.49 2wk1 h LEU 21 Ca 0.21 -0.44 0.05 0.00 0.84 0.00 0.00 57.88 58.54 2wk1 h LEU 21 Cb 0.07 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.77 2wk1 h LEU 21 CO -0.12 1.19 0.50 0.24 -0.34 0.00 0.00 178.44 179.92 2wk1 h MET 22 N 0.72 0.92 -0.59 1.25 2.86 -0.62 -0.04 114.93 119.43 2wk1 h MET 22 Ca 0.07 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.68 2wk1 h MET 22 Cb 0.89 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 2wk1 h MET 22 CO 0.08 0.61 0.37 0.82 1.06 0.00 0.00 176.91 179.85 2wk1 h ILE 23 N 0.94 1.11 -0.38 -1.22 2.04 -1.21 0.55 117.51 119.34 2wk1 h ILE 23 Ca 0.35 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.87 2wk1 h ILE 23 Cb 0.12 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 2wk1 h ILE 23 CO -0.15 0.14 -0.07 0.11 0.00 0.00 0.00 178.15 178.17 2wk1 h LYS 24 N 0.75 0.64 -0.07 2.37 1.57 -1.15 -2.67 116.57 118.01 2wk1 h LYS 24 Ca 0.23 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2wk1 h LYS 24 Cb -0.03 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2wk1 h LYS 24 CO -0.07 0.72 -0.24 0.28 -0.57 0.00 0.00 179.45 179.56 2wk1 h VAL 25 N 0.60 1.43 -1.00 0.50 2.07 -0.70 -1.10 116.25 118.04 2wk1 h VAL 25 Ca 0.11 -1.62 0.01 0.00 0.82 0.00 0.00 66.70 66.02 2wk1 h VAL 25 Cb 0.49 2.29 -0.05 0.00 -1.52 0.00 0.00 31.29 32.50 2wk1 h VAL 25 CO 0.03 0.46 0.66 -0.07 0.02 0.00 0.00 177.57 178.67 2wk1 h LEU 26 N -0.22 1.15 0.00 2.57 3.38 -0.82 -1.58 115.31 119.79 2wk1 h LEU 26 Ca -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2wk1 h LEU 26 Cb 0.87 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2wk1 h LEU 26 CO 0.05 0.83 -0.25 0.00 0.09 0.00 0.00 178.44 179.15 2wk1 n ALA 27 N -2.38 2.81 -1.07 1.53 0.00 -1.01 -1.62 120.51 118.76 2wk1 n ALA 27 Ca 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 53.44 53.34 2wk1 n ALA 27 Cb 0.02 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.14 2wk1 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wk1 n GLY 28 N 1.45 0.58 0.19 0.00 0.00 -0.59 -4.86 105.19 101.95 2wk1 n GLY 28 Ca 0.06 -0.69 -0.02 0.00 0.00 0.00 0.00 46.02 45.37 2wk1 n GLY 28 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2wk1 h THR 29 N 0.00 1.33 0.00 2.61 1.35 -1.49 -0.23 112.91 116.48 2wk1 h THR 29 Ca -0.05 -1.62 -0.07 0.00 -0.55 0.00 0.00 66.41 64.11 2wk1 h THR 29 Cb 0.20 1.78 -0.01 0.00 -1.73 0.00 0.00 68.15 68.39 2wk1 h THR 29 CO 0.07 0.48 -0.35 1.62 -0.25 0.00 0.00 175.52 177.09 2wk1 h VAL 30 N 0.16 0.99 -0.11 6.82 3.04 -1.85 -2.66 116.25 122.64 2wk1 h VAL 30 Ca 0.01 -1.33 0.00 0.00 -1.01 0.00 0.00 66.70 64.37 2wk1 h VAL 30 Cb 0.87 1.77 0.00 0.00 -2.01 0.00 0.00 31.29 31.93 2wk1 h VAL 30 CO 0.07 0.34 0.00 0.00 -1.01 0.00 0.00 177.57 176.97 2wk1 n TYR 31 N -3.74 0.24 -3.69 3.17 4.11 -1.21 -5.01 117.16 111.02 2wk1 n TYR 31 Ca -0.01 -0.68 -0.23 0.00 -0.00 0.00 0.00 57.90 56.98 2wk1 n TYR 31 Cb 0.44 -0.11 0.04 0.00 -0.00 0.00 0.00 39.34 39.71 2wk1 n TYR 31 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 2wk1 n GLU 32 N -0.52 -5.50 -1.85 -3.48 1.02 -0.54 -4.86 120.64 104.90 2wk1 n GLU 32 Ca 0.10 0.66 -0.42 0.00 -0.02 0.00 0.00 57.16 57.48 2wk1 n GLU 32 Cb 0.48 -5.39 -0.03 0.00 -0.02 0.00 0.00 31.44 26.48 2wk1 n GLU 32 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2wk1 s ASP 33 N -4.09 6.55 0.92 1.62 2.15 -0.21 -4.70 116.67 118.91 2wk1 s ASP 33 Ca 0.17 2.55 -0.12 0.00 0.43 0.00 0.00 52.55 55.58 2wk1 s ASP 33 Cb -0.08 -2.56 0.14 0.00 -0.30 0.00 0.00 42.92 40.13 2wk1 s ASP 33 CO 0.80 -0.94 1.09 -2.16 -0.17 0.00 0.00 175.17 173.79 2wk1 s PRO 34 N 3.06 1.03 0.59 4.34 0.04 -1.26 -4.66 135.00 138.14 2wk1 s PRO 34 Ca 0.77 0.75 -0.19 0.00 0.04 0.00 0.00 61.00 62.38 2wk1 s PRO 34 Cb -0.41 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 2wk1 s PRO 34 CO 0.34 -2.38 1.20 0.00 0.04 0.00 0.00 177.00 176.20 2wk1 s ALA 35 N -2.94 2.56 0.42 8.56 0.00 -0.97 -0.59 121.76 128.81 2wk1 s ALA 35 Ca 0.64 0.98 -0.26 0.00 0.00 0.00 0.00 51.96 53.32 2wk1 s ALA 35 Cb -0.18 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.40 2wk1 s ALA 35 CO 0.57 -1.11 1.37 1.58 0.00 0.00 0.00 175.76 178.16 2wk1 n HIS 36 N -1.56 2.49 -0.25 0.00 -0.00 0.10 -4.34 115.22 111.66 2wk1 n HIS 36 Ca 0.13 0.47 0.23 0.00 0.46 0.00 0.00 57.72 59.02 2wk1 n HIS 36 Cb 0.50 -2.43 0.58 0.00 -0.12 0.00 0.00 29.99 28.52 2wk1 n HIS 36 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 2wk1 h ARG 37 N 2.32 0.26 -0.92 1.57 0.11 -1.93 -3.47 114.38 112.32 2wk1 h ARG 37 Ca -0.49 -0.02 -0.20 0.00 0.10 0.00 0.00 59.98 59.37 2wk1 h ARG 37 Cb 1.28 -0.06 -0.12 0.00 1.11 0.00 0.00 29.97 32.18 2wk1 h ARG 37 CO 0.61 0.17 0.26 0.39 0.10 0.00 0.00 179.97 181.50 2wk1 n GLU 38 N -4.45 2.22 0.00 0.08 1.02 -1.26 -5.23 120.64 113.02 2wk1 n GLU 38 Ca 0.21 -1.76 0.00 0.00 -0.02 0.00 0.00 57.16 55.59 2wk1 n GLU 38 Cb 0.84 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 2wk1 n GLU 38 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2wk1 n THR 46 N -0.19 0.00 -3.32 2.62 5.66 -1.26 -5.07 114.28 112.72 2wk1 n THR 46 Ca 0.28 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.90 2wk1 n THR 46 Cb 1.06 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.77 2wk1 n THR 46 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 2wk1 s TYR 47 N 0.00 3.44 -0.18 1.09 5.04 -1.26 -2.29 117.35 123.19 2wk1 s TYR 47 Ca 0.00 0.79 -0.00 0.00 -2.44 0.00 0.00 57.07 55.41 2wk1 s TYR 47 Cb 0.00 -2.57 0.04 0.00 0.35 0.00 0.00 41.96 39.78 2wk1 s TYR 47 CO 0.00 0.06 -0.06 1.03 -1.34 0.00 0.00 175.55 175.24 2wk1 s ARG 48 N 1.05 1.52 0.29 4.97 0.52 -1.26 -5.03 118.95 121.00 2wk1 s ARG 48 Ca 0.24 -0.62 -0.02 0.00 -0.52 0.00 0.00 55.73 54.81 2wk1 s ARG 48 Cb -0.15 -2.14 0.44 0.00 0.52 0.00 0.00 34.95 33.62 2wk1 s ARG 48 CO 0.09 -0.46 1.92 1.49 0.02 0.00 0.00 175.30 178.36 2wk1 h GLU 49 N 8.08 1.10 -0.47 3.54 4.81 -1.99 -1.54 114.58 128.12 2wk1 h GLU 49 Ca -0.24 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 58.87 2wk1 h GLU 49 Cb 1.11 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 2wk1 h GLU 49 CO 0.41 0.73 0.06 1.05 -0.73 0.00 0.00 179.01 180.53 2wk1 h GLU 50 N 1.13 0.73 -0.19 1.92 9.09 -1.99 0.95 114.58 126.22 2wk1 h GLU 50 Ca 0.38 -0.16 -0.08 0.00 0.05 0.00 0.00 59.36 59.55 2wk1 h GLU 50 Cb 0.07 -0.10 -0.00 0.00 -1.65 0.00 0.00 28.75 27.07 2wk1 h GLU 50 CO -0.13 0.70 -0.20 0.28 0.05 0.00 0.00 179.01 179.72 2wk1 h VAL 51 N 0.70 1.33 -0.15 -1.06 2.07 -1.77 -3.11 116.25 114.25 2wk1 h VAL 51 Ca 0.15 -1.36 -0.10 0.00 0.82 0.00 0.00 66.70 66.21 2wk1 h VAL 51 Cb 0.34 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 2wk1 h VAL 51 CO 0.01 0.41 -0.33 -0.09 0.02 0.00 0.00 177.57 177.59 2wk1 h ARG 52 N 0.14 0.30 -0.37 1.57 9.65 -0.99 -1.50 114.38 123.19 2wk1 h ARG 52 Ca 0.03 -0.12 0.02 0.00 -1.10 0.00 0.00 59.98 58.81 2wk1 h ARG 52 Cb 0.74 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.29 2wk1 h ARG 52 CO 0.05 0.60 0.25 -0.91 2.80 0.00 0.00 179.97 182.76 2wk1 h ASN 53 N 0.26 0.36 -0.34 -3.80 4.21 -0.75 -2.29 115.58 113.23 2wk1 h ASN 53 Ca 0.03 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.54 2wk1 h ASN 53 Cb 0.71 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.83 2wk1 h ASN 53 CO 0.05 0.25 0.00 -0.62 -1.29 0.00 0.00 177.43 175.83 2wk1 n GLU 54 N -4.48 2.25 -3.18 0.81 1.02 -1.05 -1.54 120.64 114.46 2wk1 n GLU 54 Ca 0.03 -2.05 -0.15 0.00 -0.02 0.00 0.00 57.16 54.97 2wk1 n GLU 54 Cb 0.13 -1.40 0.06 0.00 -0.02 0.00 0.00 31.44 30.21 2wk1 n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wk1 n GLY 55 N 1.09 -0.09 1.29 0.62 0.00 -0.80 -4.78 105.19 102.52 2wk1 n GLY 55 Ca 0.15 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.18 2wk1 n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wk1 n ARG 56 N -3.49 3.35 -4.16 1.61 5.12 -0.63 -4.70 116.66 113.77 2wk1 n ARG 56 Ca -0.05 -2.98 -0.14 0.00 -1.93 0.00 0.00 57.85 52.75 2wk1 n ARG 56 Cb 0.56 -1.99 -0.07 0.00 -1.16 0.00 0.00 32.46 29.80 2wk1 n ARG 56 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 2wk1 s ASP 57 N -1.63 0.75 -0.36 0.55 1.47 -1.26 -5.00 116.67 111.20 2wk1 s ASP 57 Ca 0.47 -1.45 -0.11 0.00 1.18 0.00 0.00 52.55 52.64 2wk1 s ASP 57 Cb 0.38 0.54 0.01 0.00 -0.34 0.00 0.00 42.92 43.52 2wk1 s ASP 57 CO 0.10 -1.08 0.20 0.26 0.68 0.00 0.00 175.17 175.33 2wk1 s TRP 58 N -3.61 3.22 0.44 2.11 0.51 -1.26 -4.80 118.94 115.55 2wk1 s TRP 58 Ca 0.34 -0.77 -0.25 0.00 -2.12 0.00 0.00 56.10 53.30 2wk1 s TRP 58 Cb 0.02 -2.43 -0.08 0.00 -0.81 0.00 0.00 33.47 30.17 2wk1 s TRP 58 CO 0.18 -0.57 1.39 -2.14 -0.51 0.00 0.00 176.95 175.31 2wk1 s PRO 59 N 1.59 3.74 0.28 4.98 0.02 -1.26 0.02 135.00 144.36 2wk1 s PRO 59 Ca 0.03 2.34 -0.03 0.00 0.02 0.00 0.00 61.00 63.36 2wk1 s PRO 59 Cb -0.18 -2.66 0.38 0.00 0.02 0.00 0.00 34.50 32.05 2wk1 s PRO 59 CO 0.07 -0.75 1.94 0.00 -0.33 0.00 0.00 177.00 177.93 2wk1 h ALA 60 N 2.38 1.37 0.00 -1.55 0.00 -1.04 -3.39 119.26 117.03 2wk1 h ALA 60 Ca -0.51 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2wk1 h ALA 60 Cb 1.26 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2wk1 h ALA 60 CO 0.61 0.56 -0.36 0.09 0.00 0.00 0.00 179.25 180.16 2wk1 n ASN 61 N -4.42 1.78 -4.69 0.00 3.02 -1.26 -4.88 115.26 104.82 2wk1 n ASN 61 Ca 0.12 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.36 2wk1 n ASN 61 Cb 0.06 0.30 0.15 0.00 -0.61 0.00 0.00 39.78 39.68 2wk1 n ASN 61 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wk1 s ALA 62 N -0.90 1.44 -1.00 5.41 0.00 -1.26 -4.94 121.76 120.51 2wk1 s ALA 62 Ca 0.00 0.15 0.25 0.00 0.00 0.00 0.00 51.96 52.36 2wk1 s ALA 62 Cb 0.00 -3.27 0.52 0.00 0.00 0.00 0.00 23.12 20.37 2wk1 s ALA 62 CO 0.00 -2.49 1.43 0.72 0.00 0.00 0.00 175.76 175.41 2wk1 n HIS 63 N -4.01 0.00 -3.98 0.00 8.25 -0.64 -4.81 115.22 110.03 2wk1 n HIS 63 Ca 0.08 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.45 2wk1 n HIS 63 Cb 0.54 -0.26 -0.11 0.00 1.12 0.00 0.00 29.99 31.28 2wk1 n HIS 63 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2wk1 s THR 64 N -3.00 0.11 -2.81 1.59 -1.32 -1.08 -0.64 115.64 108.50 2wk1 s THR 64 Ca 0.11 -0.92 0.24 0.00 -1.21 0.00 0.00 61.69 59.91 2wk1 s THR 64 Cb 0.18 -0.29 0.18 0.00 -1.51 0.00 0.00 72.50 71.05 2wk1 s THR 64 CO 0.70 -0.50 1.27 1.15 -2.21 0.00 0.00 174.62 175.02 2wk1 n MET 65 N 1.56 2.11 0.12 7.08 0.00 -1.26 -4.63 117.12 122.09 2wk1 n MET 65 Ca -0.24 -1.72 0.13 0.00 0.00 0.00 0.00 57.70 55.87 2wk1 n MET 65 Cb 0.55 -1.46 0.38 0.00 0.00 0.00 0.00 33.22 32.68 2wk1 n MET 65 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 175.97 175.13 2wk1 h ILE 66 N 4.19 0.00 0.00 3.17 3.07 -1.88 -3.42 117.51 122.65 2wk1 h ILE 66 Ca 0.00 -0.55 0.00 0.00 1.55 0.00 0.00 64.86 65.86 2wk1 h ILE 66 Cb 0.93 1.54 0.00 0.00 -0.27 0.00 0.00 36.82 39.02 2wk1 h ILE 66 CO 0.00 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.71 2wk1 n GLY 67 N 1.24 -0.89 0.17 0.16 0.00 -1.26 -3.87 105.19 100.74 2wk1 n GLY 67 Ca 0.05 -1.67 -0.11 0.00 0.00 0.00 0.00 46.02 44.30 2wk1 n GLY 67 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wk1 h ILE 68 N 0.00 1.24 -0.62 -0.61 1.08 -1.26 -1.58 117.51 115.76 2wk1 h ILE 68 Ca 0.00 -0.84 -0.04 0.00 -0.39 0.00 0.00 64.86 63.59 2wk1 h ILE 68 Cb 0.00 1.19 -0.03 0.00 -3.07 0.00 0.00 36.82 34.92 2wk1 h ILE 68 CO 0.00 0.27 0.23 0.11 -0.69 0.00 0.00 178.15 178.07 2wk1 h LYS 69 N 0.33 0.94 -0.07 2.37 1.57 -1.56 0.11 116.57 120.26 2wk1 h LYS 69 Ca 0.09 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.56 2wk1 h LYS 69 Cb 0.36 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2wk1 h LYS 69 CO 0.01 0.81 -0.51 0.00 -0.57 0.00 0.00 179.45 179.19 2wk1 h ARG 70 N 0.87 0.19 -0.49 3.15 3.08 -1.69 -1.21 114.38 118.29 2wk1 h ARG 70 Ca 0.20 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 2wk1 h ARG 70 Cb 0.24 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2wk1 h ARG 70 CO -0.01 0.66 0.06 -0.07 -1.07 0.00 0.00 179.97 179.55 2wk1 h LEU 71 N 0.15 0.79 -1.27 3.04 3.38 -0.91 -2.27 115.31 118.22 2wk1 h LEU 71 Ca 0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2wk1 h LEU 71 Cb 0.96 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2wk1 h LEU 71 CO 0.08 0.86 0.36 -0.33 0.09 0.00 0.00 178.44 179.50 2wk1 h GLU 72 N 0.69 0.86 -0.62 1.13 5.08 -0.58 -1.58 114.58 119.57 2wk1 h GLU 72 Ca 0.15 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2wk1 h GLU 72 Cb 0.41 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2wk1 h GLU 72 CO 0.01 0.62 0.36 -0.97 -1.00 0.00 0.00 179.01 178.04 2wk1 h ASN 73 N 0.88 0.75 -0.28 1.42 -0.73 -1.03 -0.15 115.58 116.44 2wk1 h ASN 73 Ca 0.23 -0.07 0.03 0.00 1.87 0.00 0.00 56.30 58.36 2wk1 h ASN 73 Cb -0.00 -0.19 -0.03 0.00 0.27 0.00 0.00 38.32 38.37 2wk1 h ASN 73 CO -0.04 0.60 0.09 0.40 -0.37 0.00 0.00 177.43 178.11 2wk1 h ILE 74 N 0.83 0.92 -0.37 2.57 2.04 -0.83 -1.06 117.51 121.60 2wk1 h ILE 74 Ca 0.22 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 66.04 2wk1 h ILE 74 Cb -0.00 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 2wk1 h ILE 74 CO -0.04 0.04 0.17 -0.09 0.00 0.00 0.00 178.15 178.23 2wk1 h ARG 75 N 0.21 0.34 -0.48 2.37 2.43 -0.93 0.18 114.38 118.51 2wk1 h ARG 75 Ca 0.12 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2wk1 h ARG 75 Cb 0.10 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2wk1 h ARG 75 CO -0.13 0.23 0.23 1.96 -1.51 0.00 0.00 179.97 180.74 2wk1 h GLN 76 N 0.36 0.69 -0.25 0.20 1.08 -0.79 0.31 115.11 116.70 2wk1 h GLN 76 Ca 0.16 -0.10 -0.04 0.00 -1.45 0.00 0.00 58.65 57.22 2wk1 h GLN 76 Cb 0.09 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 2wk1 h GLN 76 CO -0.13 0.58 0.01 0.00 -0.95 0.00 0.00 178.83 178.34 2wk1 h VAL 78 N 0.22 1.27 -0.42 0.00 2.07 -0.90 -1.47 116.25 117.02 2wk1 h VAL 78 Ca 0.07 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 2wk1 h VAL 78 Cb 0.39 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 2wk1 h VAL 78 CO 0.01 0.37 0.15 -0.33 0.02 0.00 0.00 177.57 177.80 2wk1 h GLU 79 N 0.54 0.59 -0.41 1.57 5.08 -0.91 -1.47 114.58 119.58 2wk1 h GLU 79 Ca 0.10 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 2wk1 h GLU 79 Cb 0.56 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2wk1 h GLU 79 CO 0.03 0.50 -0.19 0.22 -1.00 0.00 0.00 179.01 178.58 2wk1 h ASP 80 N 0.59 0.87 -0.16 1.42 3.58 -0.83 0.86 116.42 122.76 2wk1 h ASP 80 Ca 0.14 -0.40 -0.09 0.00 0.42 0.00 0.00 57.03 57.11 2wk1 h ASP 80 Cb 0.14 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 2wk1 h ASP 80 CO -0.01 1.08 -0.17 -0.37 -2.88 0.00 0.00 179.24 176.89 2wk1 h VAL 81 N 0.67 1.25 -0.08 2.25 -1.51 -0.99 -0.44 116.25 117.40 2wk1 h VAL 81 Ca 0.09 -1.16 -0.02 0.00 -1.23 0.00 0.00 66.70 64.39 2wk1 h VAL 81 Cb 0.74 1.20 -0.00 0.00 -2.13 0.00 0.00 31.29 31.10 2wk1 h VAL 81 CO 0.06 0.38 -0.03 0.40 -1.23 0.00 0.00 177.57 177.15 2wk1 h ILE 82 N 0.51 1.30 0.00 7.19 2.04 -1.15 -0.30 117.51 127.11 2wk1 h ILE 82 Ca 0.08 -0.98 -0.05 0.00 1.00 0.00 0.00 64.86 64.91 2wk1 h ILE 82 Cb 0.59 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 2wk1 h ILE 82 CO 0.04 0.27 -0.26 1.23 0.00 0.00 0.00 178.15 179.44 2wk1 h GLY 83 N -0.19 0.00 -2.33 5.37 0.00 -0.57 -2.55 103.07 102.81 2wk1 h GLY 83 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2wk1 h GLY 83 CO 0.01 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.25 2wk1 n ASN 84 N -4.07 3.49 -3.97 0.19 3.02 -0.20 -4.98 115.26 108.75 2wk1 n ASN 84 Ca -0.02 -1.99 -0.30 0.00 -0.03 0.00 0.00 54.58 52.24 2wk1 n ASN 84 Cb 0.32 -0.26 0.01 0.00 -0.61 0.00 0.00 39.78 39.23 2wk1 n ASN 84 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2wk1 n ASN 85 N 1.50 -3.06 -4.68 6.41 3.02 -0.48 -4.93 115.26 113.04 2wk1 n ASN 85 Ca 0.20 -0.88 -0.43 0.00 -0.03 0.00 0.00 54.58 53.44 2wk1 n ASN 85 Cb 0.61 -3.48 -0.02 0.00 -0.61 0.00 0.00 39.78 36.28 2wk1 n ASN 85 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wk1 s VAL 86 N -3.47 4.24 0.55 2.41 1.01 -0.24 -4.98 120.40 119.91 2wk1 s VAL 86 Ca 0.46 1.55 -0.19 0.00 0.00 0.00 0.00 61.98 63.80 2wk1 s VAL 86 Cb -0.24 -3.99 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 2wk1 s VAL 86 CO 0.86 -0.05 1.14 -2.16 0.00 0.00 0.00 175.10 174.89 2wk1 s PRO 87 N 2.72 3.31 0.00 2.72 0.04 -1.26 -4.79 135.00 137.73 2wk1 s PRO 87 Ca 0.56 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2wk1 s PRO 87 Cb -0.24 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.30 2wk1 s PRO 87 CO 0.19 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.76 2wk1 n GLY 88 N 0.17 3.66 3.94 0.56 0.00 -1.26 -3.66 105.19 108.60 2wk1 n GLY 88 Ca 0.12 -1.71 -0.28 0.00 0.00 0.00 0.00 46.02 44.14 2wk1 n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wk1 s ASP 89 N 0.00 3.70 -0.02 1.61 1.01 -0.21 -4.11 116.67 118.65 2wk1 s ASP 89 Ca 0.00 0.23 0.06 0.00 0.71 0.00 0.00 52.55 53.55 2wk1 s ASP 89 Cb 0.00 -0.46 -0.03 0.00 1.01 0.00 0.00 42.92 43.45 2wk1 s ASP 89 CO 0.00 -2.35 -0.19 -0.76 0.21 0.00 0.00 175.17 172.08 2wk1 s LEU 90 N -5.64 2.49 -0.01 1.23 1.43 -0.33 -0.33 118.68 117.51 2wk1 s LEU 90 Ca 0.70 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 53.43 2wk1 s LEU 90 Cb -0.06 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.69 2wk1 s LEU 90 CO 0.50 0.31 0.06 0.54 0.23 0.00 0.00 176.35 178.00 2wk1 s VAL 91 N -0.74 0.04 -0.11 -1.59 0.11 -0.73 -0.66 120.40 116.70 2wk1 s VAL 91 Ca 0.12 -0.30 0.03 0.00 -2.93 0.00 0.00 61.98 58.90 2wk1 s VAL 91 Cb -0.10 -0.19 0.00 0.00 -1.53 0.00 0.00 36.38 34.56 2wk1 s VAL 91 CO 0.01 -0.16 -0.23 -0.70 -3.33 0.00 0.00 175.10 170.69 2wk1 s GLU 92 N -0.50 3.05 -0.60 1.54 2.12 -0.90 -1.03 118.70 122.38 2wk1 s GLU 92 Ca -0.06 -0.87 -0.14 0.00 0.36 0.00 0.00 54.97 54.27 2wk1 s GLU 92 Cb -0.04 -2.35 0.15 0.00 0.26 0.00 0.00 34.13 32.15 2wk1 s GLU 92 CO 0.00 0.12 0.54 0.95 -0.54 0.00 0.00 175.26 176.33 2wk1 s THR 93 N 0.50 5.10 0.00 -1.70 -4.23 -0.36 -1.80 115.64 113.15 2wk1 s THR 93 Ca -0.15 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 2wk1 s THR 93 Cb -0.17 -4.25 0.00 0.00 1.34 0.00 0.00 72.50 69.42 2wk1 s THR 93 CO 0.05 -0.89 0.00 0.61 -0.54 0.00 0.00 174.62 173.85 2wk1 n GLY 94 N 4.84 1.09 0.00 3.99 0.00 -0.00 -0.91 105.19 114.19 2wk1 n GLY 94 Ca -0.06 -0.79 0.01 0.00 0.00 0.00 0.00 46.02 45.17 2wk1 n GLY 94 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wk1 n VAL 95 N 0.69 0.00 0.00 1.61 0.24 -1.26 -4.53 118.33 115.08 2wk1 n VAL 95 Ca 0.00 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 2wk1 n VAL 95 Cb 0.00 0.60 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 2wk1 n VAL 95 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 2wk1 n TRP 96 N -1.42 0.00 1.02 6.34 -0.00 -1.26 -0.31 117.44 121.80 2wk1 n TRP 96 Ca -0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.61 2wk1 n TRP 96 Cb 0.03 0.00 0.56 0.00 -0.00 0.00 0.00 31.31 31.89 2wk1 n TRP 96 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 2wk1 n ARG 97 N 14.00 0.26 0.00 5.87 1.74 -1.26 -4.75 116.66 132.52 2wk1 n ARG 97 Ca 0.00 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2wk1 n ARG 97 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 2wk1 n ARG 97 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wk1 n GLY 98 N 0.69 0.56 0.35 -0.13 0.00 0.57 -4.59 105.19 102.65 2wk1 n GLY 98 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 2wk1 n GLY 98 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wk1 h GLY 99 N 0.00 1.14 1.16 -0.02 0.00 -1.04 -0.22 103.07 104.09 2wk1 h GLY 99 Ca 0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.80 2wk1 h GLY 99 CO 0.00 0.45 0.14 0.00 0.00 0.00 0.00 176.54 177.12 2wk1 h ALA 100 N 1.45 1.02 -0.12 3.60 0.00 -1.85 -1.14 119.26 122.21 2wk1 h ALA 100 Ca 0.29 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 2wk1 h ALA 100 Cb -0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2wk1 h ALA 100 CO -0.06 0.63 -0.57 0.00 0.00 0.00 0.00 179.25 179.26 2wk1 h ILE 102 N 0.29 1.17 -0.42 0.00 2.04 -0.83 -1.39 117.51 118.37 2wk1 h ILE 102 Ca 0.00 -0.43 0.04 0.00 1.00 0.00 0.00 64.86 65.47 2wk1 h ILE 102 Cb 1.09 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 2wk1 h ILE 102 CO 0.10 0.18 0.17 0.25 0.00 0.00 0.00 178.15 178.85 2wk1 h LEU 103 N 0.60 0.22 -0.52 1.44 5.85 -1.02 0.24 115.31 122.12 2wk1 h LEU 103 Ca 0.16 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.99 2wk1 h LEU 103 Cb 0.06 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 2wk1 h LEU 103 CO -0.03 0.16 0.18 0.24 -0.34 0.00 0.00 178.44 178.66 2wk1 h MET 104 N 0.35 0.35 -0.53 1.25 2.86 -0.96 0.56 114.93 118.82 2wk1 h MET 104 Ca 0.19 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.73 2wk1 h MET 104 Cb 0.14 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 2wk1 h MET 104 CO -0.17 0.23 -0.00 -0.09 1.06 0.00 0.00 176.91 177.94 2wk1 h ARG 105 N 0.36 0.89 -0.58 1.72 9.65 -0.88 -2.57 114.38 122.97 2wk1 h ARG 105 Ca 0.25 -0.26 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 2wk1 h ARG 105 Cb 0.29 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.74 2wk1 h ARG 105 CO -0.26 0.89 0.19 0.78 2.80 0.00 0.00 179.97 184.36 2wk1 h GLY 106 N 0.99 0.92 0.97 2.80 0.00 -0.05 -1.37 103.07 107.33 2wk1 h GLY 106 Ca 0.16 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 2wk1 h GLY 106 CO 0.02 0.46 0.08 -2.22 0.00 0.00 0.00 176.54 174.89 2wk1 h ILE 107 N 0.84 1.25 -0.54 2.60 2.04 -0.71 0.44 117.51 123.42 2wk1 h ILE 107 Ca 0.19 -0.90 0.03 0.00 1.00 0.00 0.00 64.86 65.18 2wk1 h ILE 107 Cb 0.22 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 2wk1 h ILE 107 CO -0.01 0.32 0.32 -0.07 0.00 0.00 0.00 178.15 178.70 2wk1 h LEU 108 N 0.64 0.51 -0.68 1.44 3.38 -1.15 -2.37 115.31 117.08 2wk1 h LEU 108 Ca 0.14 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 2wk1 h LEU 108 Cb 0.38 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2wk1 h LEU 108 CO 0.01 0.35 0.36 -0.09 0.09 0.00 0.00 178.44 179.16 2wk1 h ARG 109 N 0.63 0.95 -0.13 1.13 9.65 -0.84 -0.35 114.38 125.42 2wk1 h ARG 109 Ca 0.22 -0.12 -0.01 0.00 -1.10 0.00 0.00 59.98 58.97 2wk1 h ARG 109 Cb 0.05 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.44 2wk1 h ARG 109 CO -0.11 0.72 0.02 0.00 2.80 0.00 0.00 179.97 183.40 2wk1 h ALA 110 N 1.18 1.79 -0.64 2.80 0.00 -0.53 -1.84 119.26 122.02 2wk1 h ALA 110 Ca 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2wk1 h ALA 110 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2wk1 h ALA 110 CO -0.04 0.17 0.00 0.72 0.00 0.00 0.00 179.25 180.10 2wk1 n HIS 111 N -4.44 0.91 -3.99 0.00 8.25 -0.93 -4.75 115.22 110.28 2wk1 n HIS 111 Ca -0.01 -0.51 -0.28 0.00 -0.26 0.00 0.00 57.72 56.65 2wk1 n HIS 111 Cb 0.14 -0.03 -0.01 0.00 1.12 0.00 0.00 29.99 31.21 2wk1 n HIS 111 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2wk1 n ASP 112 N 1.33 -1.81 -4.61 0.41 2.03 -0.69 -4.95 116.55 108.25 2wk1 n ASP 112 Ca 0.22 -0.95 -0.40 0.00 0.52 0.00 0.00 54.79 54.17 2wk1 n ASP 112 Cb 0.61 -3.21 -0.07 0.00 -0.72 0.00 0.00 41.12 37.73 2wk1 n ASP 112 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2wk1 s VAL 113 N -3.67 5.02 -0.99 5.18 1.01 -0.22 -4.93 120.40 121.80 2wk1 s VAL 113 Ca 0.29 0.90 0.10 0.00 0.00 0.00 0.00 61.98 63.27 2wk1 s VAL 113 Cb -0.15 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.34 2wk1 s VAL 113 CO 0.88 0.00 0.67 0.54 0.00 0.00 0.00 175.10 177.19 2wk1 n ARG 114 N 5.67 1.83 -0.23 2.72 1.74 -1.26 -4.63 116.66 122.50 2wk1 n ARG 114 Ca -0.03 -0.69 0.09 0.00 -0.77 0.00 0.00 57.85 56.45 2wk1 n ARG 114 Cb 0.49 -1.10 0.18 0.00 -1.02 0.00 0.00 32.46 31.01 2wk1 n ARG 114 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2wk1 n ASP 115 N -0.12 2.68 -4.18 0.55 5.75 -1.26 -4.97 116.55 115.00 2wk1 n ASP 115 Ca 0.05 -3.17 -0.21 0.00 -0.01 0.00 0.00 54.79 51.45 2wk1 n ASP 115 Cb 0.22 -0.48 -0.13 0.00 -1.03 0.00 0.00 41.12 39.71 2wk1 n ASP 115 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2wk1 s ARG 116 N -2.91 1.02 0.01 0.11 0.52 -1.26 -4.97 118.95 111.47 2wk1 s ARG 116 Ca 0.36 -0.87 0.03 0.00 -0.52 0.00 0.00 55.73 54.73 2wk1 s ARG 116 Cb 0.31 -1.08 -0.03 0.00 0.52 0.00 0.00 34.95 34.66 2wk1 s ARG 116 CO 0.04 0.26 -0.07 0.99 0.02 0.00 0.00 175.30 176.54 2wk1 s THR 117 N -0.95 3.62 -0.29 0.02 2.01 -1.26 -4.86 115.64 113.94 2wk1 s THR 117 Ca 0.03 -0.80 -0.13 0.00 0.31 0.00 0.00 61.69 61.09 2wk1 s THR 117 Cb -0.09 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 2wk1 s THR 117 CO 0.02 0.38 0.28 -0.69 -0.69 0.00 0.00 174.62 173.92 2wk1 s VAL 118 N -1.00 5.24 -0.22 3.82 1.01 -0.03 -1.18 120.40 128.04 2wk1 s VAL 118 Ca 0.17 0.29 -0.12 0.00 0.00 0.00 0.00 61.98 62.33 2wk1 s VAL 118 Cb -0.11 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 2wk1 s VAL 118 CO 0.08 0.16 0.22 0.26 0.00 0.00 0.00 175.10 175.81 2wk1 s TRP 119 N 1.91 3.36 -0.50 5.22 0.52 0.16 -0.89 118.94 128.72 2wk1 s TRP 119 Ca 0.11 0.36 -0.04 0.00 0.02 0.00 0.00 56.10 56.54 2wk1 s TRP 119 Cb -0.16 -2.31 0.13 0.00 -1.15 0.00 0.00 33.47 29.98 2wk1 s TRP 119 CO 0.11 0.11 0.32 0.08 0.02 0.00 0.00 176.95 177.58 2wk1 s VAL 120 N 0.92 3.64 -0.25 4.03 1.01 0.44 -2.12 120.40 128.07 2wk1 s VAL 120 Ca 0.11 -2.31 -0.07 0.00 0.00 0.00 0.00 61.98 59.71 2wk1 s VAL 120 Cb -0.13 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 2wk1 s VAL 120 CO 0.04 -0.77 0.06 0.00 0.00 0.00 0.00 175.10 174.43 2wk1 s ALA 121 N 0.77 3.13 0.02 5.51 0.00 -0.74 -0.85 121.76 129.61 2wk1 s ALA 121 Ca 0.11 -1.14 -0.27 0.00 0.00 0.00 0.00 51.96 50.66 2wk1 s ALA 121 Cb -0.22 -2.05 0.09 0.00 0.00 0.00 0.00 23.12 20.94 2wk1 s ALA 121 CO -0.03 -0.49 0.76 0.34 0.00 0.00 0.00 175.76 176.34 2wk1 s ASP 122 N 1.60 -0.50 0.46 0.00 -1.08 -1.02 -0.82 116.67 115.30 2wk1 s ASP 122 Ca 0.06 0.19 0.20 0.00 -0.52 0.00 0.00 52.55 52.49 2wk1 s ASP 122 Cb -0.15 0.48 1.10 0.00 -1.46 0.00 0.00 42.92 42.89 2wk1 s ASP 122 CO 0.03 -0.71 1.96 0.77 0.52 0.00 0.00 175.17 177.74 2wk1 h SER 123 N 2.27 0.00 -1.90 -0.34 4.64 -1.80 -0.36 113.55 116.06 2wk1 h SER 123 Ca -0.27 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.68 2wk1 h SER 123 Cb 1.24 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.22 2wk1 h SER 123 CO 0.35 0.22 -0.39 0.49 -0.87 0.00 0.00 176.83 176.62 2wk1 n PHE 124 N -3.87 -0.49 -1.28 4.77 3.72 -1.26 -4.16 117.46 114.88 2wk1 n PHE 124 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2wk1 n PHE 124 Cb 0.31 -3.37 0.00 0.00 -0.94 0.00 0.00 39.48 35.48 2wk1 n PHE 124 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2wk1 n GLN 125 N -2.50 0.05 0.00 -1.08 6.02 -1.26 -3.99 117.38 114.63 2wk1 n GLN 125 Ca -0.20 -0.68 0.00 0.00 -0.01 0.00 0.00 57.00 56.11 2wk1 n GLN 125 Cb 0.63 -0.51 0.00 0.00 1.02 0.00 0.00 30.24 31.38 2wk1 n GLN 125 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wk1 n GLY 126 N -0.02 -2.10 3.76 1.08 0.00 -1.26 -4.68 105.19 101.98 2wk1 n GLY 126 Ca 0.00 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 2wk1 n GLY 126 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wk1 s ILE 127 N -0.05 3.31 0.54 -0.61 1.01 -1.26 -4.72 121.20 119.42 2wk1 s ILE 127 Ca 0.00 1.26 -0.20 0.00 0.00 0.00 0.00 60.65 61.71 2wk1 s ILE 127 Cb 0.00 -3.80 -0.06 0.00 0.01 0.00 0.00 42.46 38.61 2wk1 s ILE 127 CO 0.00 0.28 1.15 -2.16 0.00 0.00 0.00 174.94 174.21 2wk1 s PRO 128 N -1.22 3.34 -0.57 2.79 0.04 -1.26 -4.50 135.00 133.61 2wk1 s PRO 128 Ca 0.48 1.68 -0.27 0.00 0.04 0.00 0.00 61.00 62.92 2wk1 s PRO 128 Cb -0.34 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.19 2wk1 s PRO 128 CO 0.43 -0.88 1.13 0.34 0.04 0.00 0.00 177.00 178.06 2wk1 s ASP 129 N -1.68 6.43 0.48 6.66 -1.08 -1.26 -4.43 116.67 121.79 2wk1 s ASP 129 Ca 0.72 0.01 0.31 0.00 -0.52 0.00 0.00 52.55 53.08 2wk1 s ASP 129 Cb -0.26 -2.53 1.24 0.00 -1.46 0.00 0.00 42.92 39.92 2wk1 s ASP 129 CO 0.29 -1.41 1.91 -0.37 0.52 0.00 0.00 175.17 176.11 2wk1 h VAL 130 N 6.13 0.00 -0.98 1.11 -1.51 -1.93 -3.49 116.25 115.58 2wk1 h VAL 130 Ca -0.25 -0.46 0.05 0.00 -1.23 0.00 0.00 66.70 64.81 2wk1 h VAL 130 Cb 1.06 1.40 -0.01 0.00 -2.13 0.00 0.00 31.29 31.61 2wk1 h VAL 130 CO 1.16 0.00 -0.07 0.61 -1.23 0.00 0.00 177.57 178.04 2wk1 n GLY 131 N 0.08 -1.79 0.25 5.19 0.00 -1.26 -2.87 105.19 104.79 2wk1 n GLY 131 Ca 0.01 -1.30 0.12 0.00 0.00 0.00 0.00 46.02 44.85 2wk1 n GLY 131 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2wk1 h GLU 132 N 0.00 0.00 -0.29 1.61 4.11 -2.01 -2.36 114.58 115.64 2wk1 h GLU 132 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2wk1 h GLU 132 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2wk1 h GLU 132 CO 0.00 0.15 0.00 -0.25 0.07 0.00 0.00 179.01 178.98 2wk1 n ASP 133 N -3.59 2.50 -4.67 3.06 8.00 -1.26 -4.96 116.55 115.63 2wk1 n ASP 133 Ca -0.01 -1.86 -0.30 0.00 0.71 0.00 0.00 54.79 53.33 2wk1 n ASP 133 Cb 0.29 -0.19 0.16 0.00 -0.02 0.00 0.00 41.12 41.37 2wk1 n ASP 133 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2wk1 s GLY 134 N -1.47 1.62 0.21 0.44 0.00 -0.89 -4.96 107.32 102.28 2wk1 s GLY 134 Ca 0.35 0.10 -0.32 0.00 0.00 0.00 0.00 44.72 44.85 2wk1 s GLY 134 CO 0.28 0.61 1.29 2.98 0.00 0.00 0.00 173.10 178.26 2wk1 n TYR 135 N -4.15 1.77 -0.28 1.90 9.36 -1.26 -4.78 117.16 119.72 2wk1 n TYR 135 Ca 0.07 0.55 0.05 0.00 3.32 0.00 0.00 57.90 61.89 2wk1 n TYR 135 Cb 0.54 -2.38 0.19 0.00 -0.63 0.00 0.00 39.34 37.06 2wk1 n TYR 135 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wk1 h ALA 136 N 3.77 1.17 -0.24 2.98 0.00 -1.96 0.08 119.26 125.06 2wk1 h ALA 136 Ca -0.44 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 2wk1 h ALA 136 Cb 1.31 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2wk1 h ALA 136 CO 0.73 -0.05 -0.09 0.78 0.00 0.00 0.00 179.25 180.62 2wk1 h GLY 137 N 0.64 0.40 1.05 0.00 0.00 -2.00 -1.61 103.07 101.55 2wk1 h GLY 137 Ca 0.42 -0.25 -0.18 0.00 0.00 0.00 0.00 47.33 47.32 2wk1 h GLY 137 CO -0.32 0.23 -0.60 -0.55 0.00 0.00 0.00 176.54 175.30 2wk1 h ASP 138 N 0.36 0.83 -0.69 0.19 3.32 -1.41 -3.02 116.42 115.99 2wk1 h ASP 138 Ca 0.07 -0.60 0.00 0.00 0.02 0.00 0.00 57.03 56.52 2wk1 h ASP 138 Cb 0.38 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 2wk1 h ASP 138 CO 0.02 1.29 0.44 0.03 -1.72 0.00 0.00 179.24 179.30 2wk1 h ARG 139 N 0.41 0.91 -0.33 3.56 3.08 -0.73 -2.61 114.38 118.68 2wk1 h ARG 139 Ca -0.03 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 2wk1 h ARG 139 Cb 1.23 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 2wk1 h ARG 139 CO 0.13 0.62 0.08 -0.22 -1.07 0.00 0.00 179.97 179.50 2wk1 h LYS 140 N 0.93 0.48 -0.05 0.04 3.64 -1.32 -2.86 116.57 117.44 2wk1 h LYS 140 Ca 0.25 -0.07 -0.17 0.00 -1.27 0.00 0.00 60.65 59.38 2wk1 h LYS 140 Cb -0.08 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 2wk1 h LYS 140 CO -0.05 0.45 -0.73 0.52 -2.27 0.00 0.00 179.45 177.36 2wk1 h MET 141 N 0.47 0.27 -6.50 1.90 2.86 -1.34 -3.48 114.93 109.12 2wk1 h MET 141 Ca 0.11 -0.23 -0.50 0.00 -2.06 0.00 0.00 59.70 57.02 2wk1 h MET 141 Cb 0.19 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.83 2wk1 h MET 141 CO -0.00 0.89 -0.86 0.00 1.06 0.00 0.00 176.91 177.99 2wk1 n ALA 142 N -2.48 -1.80 0.29 6.32 0.00 -1.08 -4.84 120.51 116.92 2wk1 n ALA 142 Ca -0.03 -0.17 0.16 0.00 0.00 0.00 0.00 53.44 53.40 2wk1 n ALA 142 Cb 0.71 -2.19 0.62 0.00 0.00 0.00 0.00 19.45 18.59 2wk1 n ALA 142 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wk1 h LEU 143 N -1.80 0.00 -2.56 0.00 3.38 -1.90 -1.68 115.31 110.75 2wk1 h LEU 143 Ca -0.62 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.37 2wk1 h LEU 143 Cb 1.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 2wk1 h LEU 143 CO 0.65 0.00 0.09 1.12 0.09 0.00 0.00 178.44 180.39 2wk1 h HIS 144 N 0.00 0.00 0.00 1.13 2.07 -1.79 -0.66 115.15 115.90 2wk1 h HIS 144 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2wk1 h HIS 144 Cb 0.54 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.52 2wk1 h HIS 144 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 2wk1 h ARG 145 N 0.00 0.00 -0.17 5.12 3.08 -1.66 -2.16 114.38 118.59 2wk1 h ARG 145 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2wk1 h ARG 145 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2wk1 h ARG 145 CO -0.00 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.44 2wk1 n ARG 146 N -2.73 1.58 0.28 0.04 1.74 -0.26 -4.35 116.66 112.96 2wk1 n ARG 146 Ca -0.01 -0.88 0.19 0.00 -0.77 0.00 0.00 57.85 56.39 2wk1 n ARG 146 Cb 0.16 -1.32 0.94 0.00 -1.02 0.00 0.00 32.46 31.21 2wk1 n ARG 146 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2wk1 h ASN 147 N 1.65 0.00 -0.68 0.55 2.35 -1.54 -1.05 115.58 116.87 2wk1 h ASN 147 Ca 0.00 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.87 2wk1 h ASN 147 Cb 0.37 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.69 2wk1 h ASN 147 CO 0.00 0.00 0.45 0.77 -1.65 0.00 0.00 177.43 177.00 2wk1 h SER 148 N 0.00 0.39 0.06 5.81 4.64 -1.85 -0.71 113.55 121.89 2wk1 h SER 148 Ca 0.00 0.01 -0.38 0.00 -0.47 0.00 0.00 61.79 60.96 2wk1 h SER 148 Cb 0.17 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 62.15 2wk1 h SER 148 CO 0.00 0.22 -2.23 0.52 -0.87 0.00 0.00 176.83 174.47 2wk1 n VAL 149 N -4.47 1.62 0.20 0.95 0.31 -0.63 -4.66 118.33 111.66 2wk1 n VAL 149 Ca 0.12 -0.58 0.11 0.00 -0.01 0.00 0.00 64.34 63.98 2wk1 n VAL 149 Cb 0.44 -1.60 0.14 0.00 -0.91 0.00 0.00 33.84 31.91 2wk1 n VAL 149 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2wk1 h LEU 150 N -0.04 0.00 -8.98 7.52 3.38 -0.98 -3.43 115.31 112.77 2wk1 h LEU 150 Ca -0.51 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 56.89 2wk1 h LEU 150 Cb 1.93 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.61 2wk1 h LEU 150 CO -0.03 0.06 0.84 0.00 0.09 0.00 0.00 178.44 179.39 2wk1 s ALA 151 N -3.19 3.54 -0.07 1.53 0.00 -0.29 -4.21 121.76 119.07 2wk1 s ALA 151 Ca 0.06 -0.00 0.01 0.00 0.00 0.00 0.00 51.96 52.02 2wk1 s ALA 151 Cb 0.06 -3.65 0.02 0.00 0.00 0.00 0.00 23.12 19.55 2wk1 s ALA 151 CO 0.69 -1.39 -0.06 0.08 0.00 0.00 0.00 175.76 175.08 2wk1 s VAL 152 N 3.55 0.74 0.71 0.00 1.01 -1.26 -4.85 120.40 120.30 2wk1 s VAL 152 Ca 0.45 -0.20 -0.13 0.00 0.00 0.00 0.00 61.98 62.10 2wk1 s VAL 152 Cb -0.13 -0.76 0.03 0.00 0.00 0.00 0.00 36.38 35.52 2wk1 s VAL 152 CO 0.13 0.29 1.10 -0.94 0.00 0.00 0.00 175.10 175.68 2wk1 s SER 153 N 1.17 4.81 0.36 3.32 1.04 -1.26 -4.38 113.70 118.76 2wk1 s SER 153 Ca -0.06 1.92 0.05 0.00 0.48 0.00 0.00 55.95 58.34 2wk1 s SER 153 Cb -0.14 -2.54 0.67 0.00 0.10 0.00 0.00 66.02 64.12 2wk1 s SER 153 CO -0.01 -1.83 1.94 -0.08 0.98 0.00 0.00 173.24 174.23 2wk1 h GLU 154 N -0.51 0.56 -0.71 4.02 4.81 -1.94 -1.85 114.58 118.96 2wk1 h GLU 154 Ca -0.45 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2wk1 h GLU 154 Cb 1.24 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 2wk1 h GLU 154 CO 0.53 0.50 0.43 1.49 -0.73 0.00 0.00 179.01 181.23 2wk1 h GLU 155 N 0.56 0.96 -0.52 1.92 4.22 -1.98 0.75 114.58 120.49 2wk1 h GLU 155 Ca 0.13 -0.09 -0.04 0.00 0.08 0.00 0.00 59.36 59.44 2wk1 h GLU 155 Cb 0.18 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2wk1 h GLU 155 CO -0.01 0.68 0.16 1.49 -2.18 0.00 0.00 179.01 179.16 2wk1 h GLU 156 N 0.96 0.81 -0.37 1.92 4.81 -1.81 -0.60 114.58 120.31 2wk1 h GLU 156 Ca 0.25 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2wk1 h GLU 156 Cb -0.03 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 2wk1 h GLU 156 CO -0.05 0.75 0.15 0.28 -0.73 0.00 0.00 179.01 179.41 2wk1 h VAL 157 N 0.72 1.19 -0.55 0.32 2.07 -1.03 -0.71 116.25 118.26 2wk1 h VAL 157 Ca 0.17 -0.58 0.04 0.00 0.82 0.00 0.00 66.70 67.16 2wk1 h VAL 157 Cb 0.27 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 2wk1 h VAL 157 CO -0.01 0.21 0.30 0.03 0.02 0.00 0.00 177.57 178.12 2wk1 h ARG 158 N 0.44 0.55 -0.88 1.57 3.08 -0.75 -1.35 114.38 117.05 2wk1 h ARG 158 Ca 0.12 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.16 2wk1 h ARG 158 Cb 0.18 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 2wk1 h ARG 158 CO -0.01 0.37 0.57 -0.09 -1.07 0.00 0.00 179.97 179.74 2wk1 h ARG 159 N 0.57 1.10 -0.57 0.04 9.65 -0.81 -0.78 114.38 123.58 2wk1 h ARG 159 Ca 0.24 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 59.04 2wk1 h ARG 159 Cb 0.12 -0.25 -0.03 0.00 -1.39 0.00 0.00 29.97 28.42 2wk1 h ARG 159 CO -0.15 0.73 0.30 -0.91 2.80 0.00 0.00 179.97 182.74 2wk1 h ASN 160 N 1.13 0.73 -0.61 -3.80 2.35 -0.48 0.23 115.58 115.13 2wk1 h ASN 160 Ca 0.34 -0.11 0.03 0.00 -0.55 0.00 0.00 56.30 56.01 2wk1 h ASN 160 Cb -0.04 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.10 2wk1 h ASN 160 CO -0.10 0.63 0.37 -0.26 -1.65 0.00 0.00 177.43 176.42 2wk1 h PHE 161 N 0.77 0.69 -0.35 1.19 -1.00 -0.91 -2.40 116.94 114.94 2wk1 h PHE 161 Ca 0.20 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.98 2wk1 h PHE 161 Cb 0.08 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 39.39 2wk1 h PHE 161 CO -0.01 0.40 0.12 -0.09 -1.61 0.00 0.00 178.31 177.12 2wk1 h ARG 162 N 0.73 0.50 -0.05 1.51 2.43 -0.49 -0.94 114.38 118.07 2wk1 h ARG 162 Ca 0.24 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2wk1 h ARG 162 Cb 0.02 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2wk1 h ARG 162 CO -0.10 0.44 0.02 -0.91 -1.51 0.00 0.00 179.97 177.90 2wk1 h ASN 163 N 0.50 0.05 -0.14 -3.80 2.35 -0.44 0.59 115.58 114.69 2wk1 h ASN 163 Ca 0.12 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2wk1 h ASN 163 Cb 0.14 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.49 2wk1 h ASN 163 CO -0.01 0.05 0.00 -1.22 -1.65 0.00 0.00 177.43 174.60 2wk1 n TYR 164 N -4.52 0.17 -3.42 1.19 4.02 -0.84 -4.95 117.16 108.80 2wk1 n TYR 164 Ca -0.02 -0.08 -0.24 0.00 -0.01 0.00 0.00 57.90 57.55 2wk1 n TYR 164 Cb 0.10 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.48 2wk1 n TYR 164 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2wk1 n ASP 165 N 0.70 -6.34 -0.03 7.72 8.00 0.20 -4.92 116.55 121.88 2wk1 n ASP 165 Ca 0.17 -0.46 0.03 0.00 0.71 0.00 0.00 54.79 55.23 2wk1 n ASP 165 Cb 0.44 -5.02 0.04 0.00 -0.02 0.00 0.00 41.12 36.55 2wk1 n ASP 165 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wk1 n LEU 166 N -4.72 1.88 -4.45 0.64 4.77 -0.42 -4.94 117.00 109.77 2wk1 n LEU 166 Ca -0.03 -2.11 -0.43 0.00 -0.03 0.00 0.00 56.01 53.41 2wk1 n LEU 166 Cb 0.58 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 2wk1 n LEU 166 CO 0.60 0.51 0.79 -0.22 -1.33 0.00 0.00 177.39 177.74 2wk1 s LEU 167 N -1.39 4.59 0.00 2.23 2.96 -1.22 -4.83 118.68 121.02 2wk1 s LEU 167 Ca 0.08 -1.26 0.00 0.00 -0.22 0.00 0.00 54.13 52.74 2wk1 s LEU 167 Cb 0.07 -2.41 0.00 0.00 0.50 0.00 0.00 46.19 44.35 2wk1 s LEU 167 CO 0.01 -1.34 0.00 -0.90 -1.32 0.00 0.00 176.35 172.80 2wk1 n ASP 168 N 7.38 0.00 0.23 3.68 5.75 -1.26 -4.95 116.55 127.38 2wk1 n ASP 168 Ca 0.02 -0.64 0.16 0.00 -0.01 0.00 0.00 54.79 54.32 2wk1 n ASP 168 Cb 0.46 0.00 0.74 0.00 -1.03 0.00 0.00 41.12 41.29 2wk1 n ASP 168 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 2wk1 h GLU 169 N 0.00 0.00 -0.40 0.11 9.09 -2.02 -2.37 114.58 118.99 2wk1 h GLU 169 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2wk1 h GLU 169 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2wk1 h GLU 169 CO 0.00 0.00 0.00 1.04 0.05 0.00 0.00 179.01 180.10 2wk1 n GLN 170 N -2.71 1.92 -4.60 1.06 6.02 -1.26 -4.73 117.38 113.08 2wk1 n GLN 170 Ca -0.00 -1.38 -0.33 0.00 -0.01 0.00 0.00 57.00 55.27 2wk1 n GLN 170 Cb 0.18 -1.32 -0.15 0.00 1.02 0.00 0.00 30.24 29.98 2wk1 n GLN 170 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2wk1 s VAL 171 N -1.50 2.82 0.06 5.09 1.01 -0.89 -0.85 120.40 126.14 2wk1 s VAL 171 Ca 0.26 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.56 2wk1 s VAL 171 Cb 0.14 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 2wk1 s VAL 171 CO 0.17 0.51 -0.15 -0.13 0.00 0.00 0.00 175.10 175.51 2wk1 s ARG 172 N 0.67 0.90 -0.03 2.72 0.52 -0.07 -4.82 118.95 118.84 2wk1 s ARG 172 Ca -0.07 -0.89 0.05 0.00 -0.52 0.00 0.00 55.73 54.31 2wk1 s ARG 172 Cb -0.16 -0.93 -0.02 0.00 0.52 0.00 0.00 34.95 34.36 2wk1 s ARG 172 CO 0.02 0.22 -0.19 -0.06 0.02 0.00 0.00 175.30 175.31 2wk1 s PHE 173 N -1.08 2.56 -0.60 -0.53 0.40 -1.26 -0.42 117.98 117.05 2wk1 s PHE 173 Ca 0.00 -0.26 0.04 0.00 -0.60 0.00 0.00 56.93 56.12 2wk1 s PHE 173 Cb -0.09 -1.57 0.16 0.00 0.51 0.00 0.00 43.02 42.03 2wk1 s PHE 173 CO 0.02 0.12 0.40 -0.51 0.70 0.00 0.00 175.22 175.94 2wk1 s LEU 174 N -0.76 4.05 0.12 -0.37 1.43 -0.03 -4.90 118.68 118.21 2wk1 s LEU 174 Ca 0.11 -3.44 -0.29 0.00 -1.03 0.00 0.00 54.13 49.49 2wk1 s LEU 174 Cb -0.10 -1.42 -0.06 0.00 0.03 0.00 0.00 46.19 44.63 2wk1 s LEU 174 CO 0.00 -0.15 0.90 -2.16 0.23 0.00 0.00 176.35 175.18 2wk1 s PRO 175 N -0.81 4.67 0.00 1.29 0.04 -1.26 -2.44 135.00 136.48 2wk1 s PRO 175 Ca 0.23 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2wk1 s PRO 175 Cb -0.10 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.08 2wk1 s PRO 175 CO -0.12 0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.63 2wk1 n GLY 176 N 2.13 1.64 3.76 0.56 0.00 -0.14 -4.92 105.19 108.21 2wk1 n GLY 176 Ca 0.00 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 2wk1 n GLY 176 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wk1 s TRP 177 N -1.32 3.19 0.40 1.61 0.52 -1.26 -2.70 118.94 119.38 2wk1 s TRP 177 Ca 0.00 1.41 0.14 0.00 0.02 0.00 0.00 56.10 57.66 2wk1 s TRP 177 Cb 0.00 -3.60 0.97 0.00 -1.15 0.00 0.00 33.47 29.69 2wk1 s TRP 177 CO 0.00 -1.67 1.90 0.74 0.02 0.00 0.00 176.95 177.94 2wk1 h PHE 178 N 3.96 0.61 0.00 -1.98 0.04 -1.96 0.95 116.94 118.56 2wk1 h PHE 178 Ca -0.47 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.29 2wk1 h PHE 178 Cb 1.22 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 39.18 2wk1 h PHE 178 CO 0.58 0.22 -0.11 1.57 -0.60 0.00 0.00 178.31 179.97 2wk1 h LYS 179 N 0.51 0.00 0.04 1.51 2.10 -1.94 -1.11 116.57 117.68 2wk1 h LYS 179 Ca 0.41 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.72 2wk1 h LYS 179 Cb 0.84 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.12 2wk1 h LYS 179 CO -0.15 0.11 -1.99 -0.25 -2.00 0.00 0.00 179.45 175.16 2wk1 n ASP 180 N -3.58 1.20 -0.06 7.07 8.00 0.21 -4.64 116.55 124.74 2wk1 n ASP 180 Ca -0.02 0.23 -0.14 0.00 0.71 0.00 0.00 54.79 55.57 2wk1 n ASP 180 Cb 0.23 -0.15 -0.14 0.00 -0.02 0.00 0.00 41.12 41.04 2wk1 n ASP 180 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2wk1 n THR 181 N -3.14 1.55 0.07 -3.53 -2.24 -0.48 -4.62 114.28 101.90 2wk1 n THR 181 Ca -0.27 -0.73 -0.12 0.00 -2.27 0.00 0.00 64.05 60.66 2wk1 n THR 181 Cb 1.06 -1.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.16 2wk1 n THR 181 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2wk1 h LEU 182 N 0.02 0.43 -1.97 3.22 3.38 -1.45 -2.32 115.31 116.62 2wk1 h LEU 182 Ca -0.46 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.18 2wk1 h LEU 182 Cb 2.06 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.68 2wk1 h LEU 182 CO 0.03 1.15 0.08 -0.65 0.09 0.00 0.00 178.44 179.14 2wk1 h PRO 183 N 0.18 0.04 -0.27 1.13 0.11 -1.82 -2.87 132.00 128.52 2wk1 h PRO 183 Ca -0.07 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2wk1 h PRO 183 Cb 1.57 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.67 2wk1 h PRO 183 CO 0.15 0.03 0.00 0.25 -0.21 0.00 0.00 178.00 178.22 2wk1 n THR 184 N -4.51 0.91 -1.70 -1.15 -2.24 -1.22 -5.03 114.28 99.33 2wk1 n THR 184 Ca -0.01 -0.95 -0.44 0.00 -2.27 0.00 0.00 64.05 60.38 2wk1 n THR 184 Cb 0.16 0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 2wk1 n THR 184 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wk1 n ALA 185 N 0.37 1.95 -1.56 6.98 0.00 -0.87 -4.81 120.51 122.55 2wk1 n ALA 185 Ca 0.09 0.41 -0.34 0.00 0.00 0.00 0.00 53.44 53.61 2wk1 n ALA 185 Cb 0.38 -2.41 -0.04 0.00 0.00 0.00 0.00 19.45 17.38 2wk1 n ALA 185 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wk1 n PRO 186 N 3.06 3.60 -4.16 0.00 -0.04 -1.26 -4.84 135.00 131.37 2wk1 n PRO 186 Ca 0.14 -2.55 -0.34 0.00 -0.04 0.00 0.00 63.50 60.70 2wk1 n PRO 186 Cb 0.32 -2.51 -0.11 0.00 -0.04 0.00 0.00 33.50 31.16 2wk1 n PRO 186 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2wk1 s ILE 187 N -0.04 4.33 -0.14 0.52 1.01 -1.26 -5.02 121.20 120.60 2wk1 s ILE 187 Ca 0.62 -0.20 -0.10 0.00 0.00 0.00 0.00 60.65 60.97 2wk1 s ILE 187 Cb 0.24 -2.93 -0.06 0.00 0.01 0.00 0.00 42.46 39.71 2wk1 s ILE 187 CO -0.09 0.47 0.03 -0.78 0.00 0.00 0.00 174.94 174.56 2wk1 h ASP 188 N 6.84 0.00 -5.08 3.58 3.58 -1.96 -3.49 116.42 119.89 2wk1 h ASP 188 Ca -0.34 -0.17 -0.13 0.00 0.42 0.00 0.00 57.03 56.81 2wk1 h ASP 188 Cb 1.18 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 42.05 2wk1 h ASP 188 CO 0.66 0.79 -0.54 -0.89 -2.88 0.00 0.00 179.24 176.38 2wk1 s THR 189 N -2.03 0.13 -0.05 2.25 2.01 -1.26 -4.80 115.64 111.89 2wk1 s THR 189 Ca -0.12 -1.08 0.04 0.00 0.31 0.00 0.00 61.69 60.84 2wk1 s THR 189 Cb 0.01 -0.83 -0.00 0.00 0.01 0.00 0.00 72.50 71.69 2wk1 s THR 189 CO 0.24 -0.59 -0.18 -0.76 -0.69 0.00 0.00 174.62 172.63 2wk1 s LEU 190 N -2.05 1.92 -0.11 4.42 1.43 0.10 -1.05 118.68 123.35 2wk1 s LEU 190 Ca -0.06 -0.39 0.11 0.00 -1.03 0.00 0.00 54.13 52.76 2wk1 s LEU 190 Cb -0.02 -1.05 -0.24 0.00 0.03 0.00 0.00 46.19 44.91 2wk1 s LEU 190 CO -0.04 0.15 0.40 0.00 0.23 0.00 0.00 176.35 177.09 2wk1 n ALA 191 N 3.23 1.41 -3.70 4.21 0.00 0.55 -0.92 120.51 125.28 2wk1 n ALA 191 Ca -0.19 -0.92 -0.19 0.00 0.00 0.00 0.00 53.44 52.14 2wk1 n ALA 191 Cb 0.53 -0.59 -0.17 0.00 0.00 0.00 0.00 19.45 19.22 2wk1 n ALA 191 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wk1 s VAL 192 N -2.56 0.23 -0.30 0.00 1.01 -1.17 -1.24 120.40 116.38 2wk1 s VAL 192 Ca -0.11 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 2wk1 s VAL 192 Cb 0.07 -0.34 0.06 0.00 0.00 0.00 0.00 36.38 36.17 2wk1 s VAL 192 CO 0.80 0.18 -0.00 -0.22 0.00 0.00 0.00 175.10 175.86 2wk1 s LEU 193 N 1.27 3.94 -0.23 3.92 2.96 -0.11 -1.78 118.68 128.66 2wk1 s LEU 193 Ca -0.06 -1.34 -0.07 0.00 -0.22 0.00 0.00 54.13 52.43 2wk1 s LEU 193 Cb -0.13 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 2wk1 s LEU 193 CO -0.02 -0.27 0.07 -0.60 -1.32 0.00 0.00 176.35 174.21 2wk1 s ARG 194 N 1.22 3.75 -0.20 1.98 3.52 -0.20 -0.84 118.95 128.20 2wk1 s ARG 194 Ca -0.05 -0.44 -0.04 0.00 -0.13 0.00 0.00 55.73 55.08 2wk1 s ARG 194 Cb -0.20 -3.28 -0.02 0.00 -1.56 0.00 0.00 34.95 29.89 2wk1 s ARG 194 CO -0.02 -0.04 -0.03 -1.64 -0.81 0.00 0.00 175.30 172.76 2wk1 s MET 195 N 1.21 3.52 -0.39 5.12 -1.94 0.14 -1.22 119.30 125.74 2wk1 s MET 195 Ca 0.05 -0.57 0.11 0.00 -1.71 0.00 0.00 55.69 53.56 2wk1 s MET 195 Cb -0.14 -3.00 0.37 0.00 2.01 0.00 0.00 34.83 34.07 2wk1 s MET 195 CO 0.03 -0.01 1.01 -3.47 -0.01 0.00 0.00 175.02 172.57 2wk1 n ASP 196 N 4.29 -0.56 -0.84 3.03 -0.08 -0.09 -1.46 116.55 120.85 2wk1 n ASP 196 Ca -0.18 -3.06 0.08 0.00 -1.51 0.00 0.00 54.79 50.13 2wk1 n ASP 196 Cb 0.52 0.50 0.16 0.00 2.34 0.00 0.00 41.12 44.63 2wk1 n ASP 196 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2wk1 n GLY 197 N 0.07 1.56 4.63 0.27 0.00 -1.20 -4.29 105.19 106.23 2wk1 n GLY 197 Ca 0.11 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2wk1 n GLY 197 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wk1 n ASP 198 N 1.00 0.00 -4.45 1.61 8.00 -1.26 -4.75 116.55 116.70 2wk1 n ASP 198 Ca 0.14 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.39 2wk1 n ASP 198 Cb 0.47 -0.35 -0.11 0.00 -0.02 0.00 0.00 41.12 41.11 2wk1 n ASP 198 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wk1 s LEU 199 N 0.00 2.53 0.15 0.64 1.43 -1.26 -4.76 118.68 117.41 2wk1 s LEU 199 Ca 0.00 -0.93 -0.17 0.00 -1.03 0.00 0.00 54.13 52.00 2wk1 s LEU 199 Cb 0.00 -1.16 0.06 0.00 0.03 0.00 0.00 46.19 45.12 2wk1 s LEU 199 CO 0.00 0.08 1.71 0.22 0.23 0.00 0.00 176.35 178.59 2wk1 h TYR 200 N 2.75 0.00 -0.55 0.29 5.03 -1.92 -1.54 116.97 121.04 2wk1 h TYR 200 Ca -0.43 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 60.79 2wk1 h TYR 200 Cb 1.23 0.05 -0.02 0.00 1.55 0.00 0.00 36.73 39.54 2wk1 h TYR 200 CO 0.74 -0.04 -0.07 1.05 -1.32 0.00 0.00 178.16 178.51 2wk1 h GLU 201 N 0.11 1.00 -0.60 1.82 4.11 -1.96 0.57 114.58 119.64 2wk1 h GLU 201 Ca 0.16 -0.35 -0.02 0.00 0.07 0.00 0.00 59.36 59.22 2wk1 h GLU 201 Cb 0.21 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2wk1 h GLU 201 CO -0.25 1.03 0.31 0.77 0.07 0.00 0.00 179.01 180.94 2wk1 h SER 202 N 0.90 0.76 -0.27 3.06 0.02 -1.82 -0.61 113.55 115.59 2wk1 h SER 202 Ca 0.15 -0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 60.90 2wk1 h SER 202 Cb 0.63 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 2wk1 h SER 202 CO 0.04 0.65 -0.19 0.74 -1.14 0.00 0.00 176.83 176.93 2wk1 h THR 203 N 0.81 1.30 -0.42 -2.27 2.02 -0.92 -1.63 112.91 111.80 2wk1 h THR 203 Ca 0.21 -1.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.07 2wk1 h THR 203 Cb 0.07 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 2wk1 h THR 203 CO -0.03 0.42 0.25 -0.25 0.37 0.00 0.00 175.52 176.28 2wk1 h TRP 204 N 0.34 0.56 -0.10 3.16 2.91 -0.79 -0.95 115.95 121.09 2wk1 h TRP 204 Ca 0.05 -0.00 -0.07 0.00 1.13 0.00 0.00 58.89 60.00 2wk1 h TRP 204 Cb 0.72 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 29.18 2wk1 h TRP 204 CO 0.07 0.40 -0.26 -0.44 -1.03 0.00 0.00 178.44 177.18 2wk1 h ASP 205 N 0.56 0.17 0.09 2.65 3.32 -1.04 -0.44 116.42 121.73 2wk1 h ASP 205 Ca 0.15 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2wk1 h ASP 205 Cb 0.01 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2wk1 h ASP 205 CO -0.03 0.43 -0.04 0.74 -1.72 0.00 0.00 179.24 178.62 2wk1 h THR 206 N 0.16 1.14 -0.35 0.35 2.02 -0.94 -2.79 112.91 112.50 2wk1 h THR 206 Ca 0.02 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 2wk1 h THR 206 Cb 0.55 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 2wk1 h THR 206 CO 0.04 0.23 0.19 -0.07 0.37 0.00 0.00 175.52 176.28 2wk1 h LEU 207 N -0.56 0.43 -0.94 2.58 3.38 -0.99 0.47 115.31 119.68 2wk1 h LEU 207 Ca -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2wk1 h LEU 207 Cb 0.46 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2wk1 h LEU 207 CO 0.02 0.39 0.55 0.71 0.09 0.00 0.00 178.44 180.19 2wk1 h THR 208 N 0.44 1.26 0.03 0.22 1.35 -1.14 -1.10 112.91 113.97 2wk1 h THR 208 Ca 0.12 -0.60 -0.28 0.00 -0.55 0.00 0.00 66.41 65.11 2wk1 h THR 208 Cb 0.05 -0.04 -0.03 0.00 -1.73 0.00 0.00 68.15 66.40 2wk1 h THR 208 CO -0.02 0.28 -1.52 0.78 -0.25 0.00 0.00 175.52 174.79 2wk1 h ASN 209 N 1.30 0.11 0.00 5.36 2.35 -1.40 -3.42 115.58 119.88 2wk1 h ASN 209 Ca 0.33 -0.18 -0.10 0.00 -0.55 0.00 0.00 56.30 55.80 2wk1 h ASN 209 Cb -0.03 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 2wk1 h ASN 209 CO -0.06 1.15 -1.64 0.18 -1.65 0.00 0.00 177.43 175.41 2wk1 n LEU 210 N -3.23 0.00 -0.22 1.61 4.77 0.15 -4.59 117.00 115.48 2wk1 n LEU 210 Ca -0.14 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.88 2wk1 n LEU 210 Cb 1.02 0.14 0.29 0.00 -2.33 0.00 0.00 43.42 42.55 2wk1 n LEU 210 CO 0.46 0.14 1.23 0.22 -1.33 0.00 0.00 177.39 178.12 2wk1 h TYR 211 N 0.00 0.89 0.00 -1.77 3.20 -1.30 -1.04 116.97 116.95 2wk1 h TYR 211 Ca -0.15 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.74 2wk1 h TYR 211 Cb 1.13 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.10 2wk1 h TYR 211 CO 0.00 0.50 0.00 -1.35 -1.64 0.00 0.00 178.16 175.67 2wk1 h PRO 212 N 0.90 0.00 0.00 1.82 0.11 -1.81 -0.87 132.00 132.16 2wk1 h PRO 212 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 2wk1 h PRO 212 Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 2wk1 h PRO 212 CO -0.10 0.00 -0.32 1.63 -0.21 0.00 0.00 178.00 179.00 2wk1 n LYS 213 N -2.52 0.10 -2.44 1.05 5.02 -0.39 -4.90 118.16 114.07 2wk1 n LYS 213 Ca -0.01 0.05 -0.42 0.00 -2.02 0.00 0.00 58.31 55.90 2wk1 n LYS 213 Cb 0.09 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 33.49 2wk1 n LYS 213 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2wk1 s VAL 214 N -3.05 4.25 0.67 -0.18 1.01 -0.33 -0.72 120.40 122.05 2wk1 s VAL 214 Ca 0.11 1.56 -0.16 0.00 0.00 0.00 0.00 61.98 63.49 2wk1 s VAL 214 Cb 0.16 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.54 2wk1 s VAL 214 CO 0.64 -0.04 1.15 -0.44 0.00 0.00 0.00 175.10 176.41 2wk1 s SER 215 N 1.62 4.87 0.17 3.32 0.01 -0.10 -4.92 113.70 118.67 2wk1 s SER 215 Ca 0.56 2.15 -0.32 0.00 1.31 0.00 0.00 55.95 59.65 2wk1 s SER 215 Cb -0.24 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.32 2wk1 s SER 215 CO 0.20 -1.80 1.61 -0.69 0.41 0.00 0.00 173.24 172.97 2wk1 s VAL 216 N -2.14 2.51 0.00 3.43 1.01 -1.26 -0.90 120.40 123.04 2wk1 s VAL 216 Ca 0.70 0.34 0.00 0.00 0.00 0.00 0.00 61.98 63.03 2wk1 s VAL 216 Cb -0.24 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 32.92 2wk1 s VAL 216 CO 0.41 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.14 2wk1 n GLY 217 N 3.83 1.22 3.94 4.51 0.00 0.56 -4.86 105.19 114.38 2wk1 n GLY 217 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 2wk1 n GLY 217 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wk1 s GLY 218 N -2.23 1.72 0.03 -0.02 0.00 -0.08 -4.77 107.32 101.97 2wk1 s GLY 218 Ca 0.00 -1.11 0.07 0.00 0.00 0.00 0.00 44.72 43.68 2wk1 s GLY 218 CO 0.00 -0.53 -0.21 -0.19 0.00 0.00 0.00 173.10 172.18 2wk1 s TYR 219 N -3.53 1.82 -0.19 1.90 2.02 -0.37 -0.99 117.35 118.01 2wk1 s TYR 219 Ca 0.67 -0.37 -0.01 0.00 -0.37 0.00 0.00 57.07 56.99 2wk1 s TYR 219 Cb -0.07 -1.10 -0.00 0.00 -0.40 0.00 0.00 41.96 40.38 2wk1 s TYR 219 CO 0.48 0.06 -0.12 0.08 -1.57 0.00 0.00 175.55 174.49 2wk1 s VAL 220 N -0.72 2.86 -0.15 0.71 1.01 -0.35 -0.93 120.40 122.82 2wk1 s VAL 220 Ca 0.08 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 2wk1 s VAL 220 Cb -0.09 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 2wk1 s VAL 220 CO 0.01 0.48 -0.05 -0.63 0.00 0.00 0.00 175.10 174.92 2wk1 s ILE 221 N 1.16 3.79 -0.30 2.22 1.01 -0.02 -1.09 121.20 127.97 2wk1 s ILE 221 Ca 0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 60.65 60.23 2wk1 s ILE 221 Cb -0.14 -2.65 0.04 0.00 0.01 0.00 0.00 42.46 39.71 2wk1 s ILE 221 CO -0.04 0.50 0.02 -0.69 0.00 0.00 0.00 174.94 174.73 2wk1 s VAL 222 N 0.38 3.26 0.14 2.92 1.01 0.27 -0.68 120.40 127.69 2wk1 s VAL 222 Ca -0.05 -1.19 -0.15 0.00 0.00 0.00 0.00 61.98 60.59 2wk1 s VAL 222 Cb -0.14 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.44 2wk1 s VAL 222 CO 0.03 -0.05 1.68 -0.78 0.00 0.00 0.00 175.10 175.98 2wk1 h ASP 223 N 8.08 0.61 -3.18 3.32 3.58 -1.51 -1.85 116.42 125.47 2wk1 h ASP 223 Ca -0.25 -0.18 -0.61 0.00 0.42 0.00 0.00 57.03 56.42 2wk1 h ASP 223 Cb 1.08 -0.16 -0.40 0.00 1.72 0.00 0.00 39.33 41.57 2wk1 h ASP 223 CO 0.56 0.62 -0.76 -0.62 -2.88 0.00 0.00 179.24 176.16 2wk1 s ASP 224 N -5.92 3.39 -0.02 2.28 2.15 -1.26 -2.89 116.67 114.40 2wk1 s ASP 224 Ca -0.13 -2.83 -0.05 0.00 0.43 0.00 0.00 52.55 49.96 2wk1 s ASP 224 Cb 0.11 -0.97 -0.03 0.00 -0.30 0.00 0.00 42.92 41.73 2wk1 s ASP 224 CO 0.76 -0.23 -0.12 0.00 -0.17 0.00 0.00 175.17 175.42 2wk1 n TYR 225 N 3.25 0.00 -0.14 -5.34 9.36 -0.78 -4.55 117.16 118.95 2wk1 n TYR 225 Ca 0.14 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.35 2wk1 n TYR 225 Cb 0.37 -0.22 0.22 0.00 -0.63 0.00 0.00 39.34 39.09 2wk1 n TYR 225 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 2wk1 h MET 226 N -0.33 0.85 -0.27 2.98 2.86 -1.51 -3.14 114.93 116.37 2wk1 h MET 226 Ca -0.07 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 2wk1 h MET 226 Cb 0.61 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.12 2wk1 h MET 226 CO -0.05 0.69 0.00 -1.33 1.06 0.00 0.00 176.91 177.29 2wk1 n MET 227 N -4.33 2.84 -3.96 1.72 2.81 -1.26 -4.83 117.12 110.11 2wk1 n MET 227 Ca 0.05 -2.32 -0.30 0.00 -1.81 0.00 0.00 57.70 53.31 2wk1 n MET 227 Cb 0.16 -1.47 -0.15 0.00 -0.71 0.00 0.00 33.22 31.05 2wk1 n MET 227 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wk1 h PRO 229 N 7.18 0.69 -0.09 0.00 0.11 -1.88 -0.00 132.00 138.01 2wk1 h PRO 229 Ca -0.06 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.89 2wk1 h PRO 229 Cb 0.97 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 2wk1 h PRO 229 CO 0.58 0.46 -0.48 -1.35 -0.21 0.00 0.00 178.00 177.00 2wk1 h PRO 230 N 0.71 0.22 -0.24 1.05 0.11 -1.93 0.43 132.00 132.36 2wk1 h PRO 230 Ca 0.37 -0.12 -0.12 0.00 0.11 0.00 0.00 66.00 66.23 2wk1 h PRO 230 Cb 0.33 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 2wk1 h PRO 230 CO -0.24 0.66 -0.34 0.00 -0.21 0.00 0.00 178.00 177.86 2wk1 h LYS 232 N 0.35 0.85 -0.31 0.00 3.64 -0.82 -1.51 116.57 118.77 2wk1 h LYS 232 Ca 0.02 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2wk1 h LYS 232 Cb 0.92 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 2wk1 h LYS 232 CO 0.08 0.56 0.11 -0.44 -2.27 0.00 0.00 179.45 177.50 2wk1 h ASP 233 N 0.88 0.13 -0.34 4.20 3.32 -0.72 -0.88 116.42 123.01 2wk1 h ASP 233 Ca 0.31 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.36 2wk1 h ASP 233 Cb 0.08 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2wk1 h ASP 233 CO -0.13 0.11 0.09 0.00 -1.72 0.00 0.00 179.24 177.59 2wk1 h ALA 234 N 1.19 0.45 -0.37 3.45 0.00 -0.96 -0.28 119.26 122.75 2wk1 h ALA 234 Ca 0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2wk1 h ALA 234 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2wk1 h ALA 234 CO -0.14 0.11 0.08 0.28 0.00 0.00 0.00 179.25 179.59 2wk1 h VAL 235 N 0.40 1.23 -0.47 0.00 2.07 -1.19 -1.17 116.25 117.12 2wk1 h VAL 235 Ca 0.11 -0.79 -0.12 0.00 0.82 0.00 0.00 66.70 66.71 2wk1 h VAL 235 Cb 0.29 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2wk1 h VAL 235 CO 0.00 0.27 -0.18 0.44 0.02 0.00 0.00 177.57 178.12 2wk1 h ASP 236 N 0.44 0.94 -0.53 0.57 3.32 -1.09 -1.16 116.42 118.92 2wk1 h ASP 236 Ca 0.11 -0.34 -0.08 0.00 0.02 0.00 0.00 57.03 56.74 2wk1 h ASP 236 Cb 0.32 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2wk1 h ASP 236 CO 0.00 1.10 0.01 -0.33 -1.72 0.00 0.00 179.24 178.31 2wk1 h GLU 237 N 0.81 0.92 -0.38 3.56 5.08 -0.94 -0.89 114.58 122.74 2wk1 h GLU 237 Ca 0.11 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 2wk1 h GLU 237 Cb 0.74 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 2wk1 h GLU 237 CO 0.06 0.93 0.11 -0.92 -1.00 0.00 0.00 179.01 178.20 2wk1 h TYR 238 N 0.79 0.62 -0.83 4.33 3.20 -1.07 0.12 116.97 124.14 2wk1 h TYR 238 Ca 0.15 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 2wk1 h TYR 238 Cb 0.51 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 2wk1 h TYR 238 CO 0.04 0.59 0.37 0.00 -1.64 0.00 0.00 178.16 177.52 2wk1 h ARG 239 N 0.47 1.21 -0.20 1.82 3.08 -1.11 -1.82 114.38 117.83 2wk1 h ARG 239 Ca 0.12 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 2wk1 h ARG 239 Cb 0.27 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2wk1 h ARG 239 CO -0.00 0.95 -0.02 0.00 -1.07 0.00 0.00 179.97 179.82 2wk1 h ALA 240 N 1.20 0.28 -0.94 0.04 0.00 -0.98 0.52 119.26 119.38 2wk1 h ALA 240 Ca 0.28 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2wk1 h ALA 240 Cb 0.16 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 2wk1 h ALA 240 CO -0.03 0.03 0.61 -0.22 0.00 0.00 0.00 179.25 179.63 2wk1 h LYS 241 N 0.11 1.12 -0.62 0.00 3.11 -0.71 -2.85 116.57 116.74 2wk1 h LYS 241 Ca 0.05 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 2wk1 h LYS 241 Cb 0.45 -0.25 0.00 0.00 -1.00 0.00 0.00 32.23 31.42 2wk1 h LYS 241 CO 0.02 0.74 0.00 1.19 -2.81 0.00 0.00 179.45 178.59 2wk1 n PHE 242 N -4.51 1.18 -3.89 1.91 3.72 -0.71 -4.97 117.46 110.20 2wk1 n PHE 242 Ca 0.13 -0.58 -0.25 0.00 -0.05 0.00 0.00 57.45 56.70 2wk1 n PHE 242 Cb 0.12 -0.15 -0.00 0.00 -0.94 0.00 0.00 39.48 38.50 2wk1 n PHE 242 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2wk1 n ASP 243 N 1.11 -0.81 -4.53 4.37 8.00 -0.63 -4.92 116.55 119.14 2wk1 n ASP 243 Ca 0.23 -0.94 -0.43 0.00 0.71 0.00 0.00 54.79 54.36 2wk1 n ASP 243 Cb 0.75 -3.37 -0.06 0.00 -0.02 0.00 0.00 41.12 38.43 2wk1 n ASP 243 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2wk1 s ILE 244 N -3.83 4.73 -2.02 0.53 1.01 0.08 -4.89 121.20 116.81 2wk1 s ILE 244 Ca 0.05 0.24 0.19 0.00 0.00 0.00 0.00 60.65 61.14 2wk1 s ILE 244 Cb -0.03 -4.28 0.06 0.00 0.01 0.00 0.00 42.46 38.23 2wk1 s ILE 244 CO 0.87 -0.68 1.02 0.00 0.00 0.00 0.00 174.94 176.14 2wk1 n ALA 245 N 6.52 2.96 -1.68 9.38 0.00 -1.26 -4.75 120.51 131.68 2wk1 n ALA 245 Ca 0.00 -0.61 -0.46 0.00 0.00 0.00 0.00 53.44 52.37 2wk1 n ALA 245 Cb 0.48 -0.66 -0.04 0.00 0.00 0.00 0.00 19.45 19.23 2wk1 n ALA 245 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wk1 n ASP 246 N 0.42 3.47 -4.77 0.00 8.00 -1.26 -4.86 116.55 117.56 2wk1 n ASP 246 Ca 0.09 1.02 -0.39 0.00 0.71 0.00 0.00 54.79 56.22 2wk1 n ASP 246 Cb 0.43 -1.44 -0.01 0.00 -0.02 0.00 0.00 41.12 40.08 2wk1 n ASP 246 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2wk1 s GLU 247 N 2.53 4.01 -0.07 -1.24 -1.05 -1.26 -4.89 118.70 116.73 2wk1 s GLU 247 Ca 0.85 1.98 -0.29 0.00 -0.15 0.00 0.00 54.97 57.37 2wk1 s GLU 247 Cb -0.63 -2.71 -0.02 0.00 -0.44 0.00 0.00 34.13 30.32 2wk1 s GLU 247 CO 0.43 -0.40 0.94 -0.51 0.95 0.00 0.00 175.26 176.67 2wk1 s LEU 248 N -2.46 4.29 -0.10 1.83 1.43 -1.26 -4.44 118.68 117.96 2wk1 s LEU 248 Ca 0.57 1.50 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 2wk1 s LEU 248 Cb -0.34 -3.47 -0.02 0.00 0.03 0.00 0.00 46.19 42.38 2wk1 s LEU 248 CO 0.43 -0.34 -0.10 -0.63 0.23 0.00 0.00 176.35 175.94 2wk1 s ILE 249 N 1.55 3.39 0.55 -0.59 -1.09 0.22 -4.92 121.20 120.31 2wk1 s ILE 249 Ca 0.47 -0.57 -0.16 0.00 -2.23 0.00 0.00 60.65 58.16 2wk1 s ILE 249 Cb -0.19 -2.41 -0.06 0.00 -1.58 0.00 0.00 42.46 38.22 2wk1 s ILE 249 CO 0.21 0.55 1.02 0.42 -1.23 0.00 0.00 174.94 175.91 2wk1 s THR 250 N -0.15 4.20 -0.13 2.92 -4.23 -1.26 -0.88 115.64 116.12 2wk1 s THR 250 Ca 0.01 1.06 -0.08 0.00 -1.18 0.00 0.00 61.69 61.50 2wk1 s THR 250 Cb -0.13 -3.57 -0.06 0.00 1.34 0.00 0.00 72.50 70.08 2wk1 s THR 250 CO 0.03 -0.59 -0.19 -0.38 -0.54 0.00 0.00 174.62 172.95 2wk1 n ILE 251 N -1.74 0.88 0.00 2.99 5.41 -0.04 -4.87 119.36 121.98 2wk1 n ILE 251 Ca 0.08 -0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.70 2wk1 n ILE 251 Cb 0.53 -1.74 0.00 0.00 -0.71 0.00 0.00 39.64 37.72 2wk1 n ILE 251 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2wk1 n ASP 252 N -3.70 1.90 -0.22 4.38 5.68 -1.25 -4.91 116.55 118.43 2wk1 n ASP 252 Ca -0.25 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.18 2wk1 n ASP 252 Cb 0.64 0.00 0.69 0.00 -1.14 0.00 0.00 41.12 41.31 2wk1 n ASP 252 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2wk1 n ARG 253 N 0.00 1.20 0.03 0.11 1.74 -1.26 -4.58 116.66 113.90 2wk1 n ARG 253 Ca 0.00 -0.45 0.00 0.00 -0.77 0.00 0.00 57.85 56.63 2wk1 n ARG 253 Cb 0.00 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 2wk1 n ARG 253 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2wk1 n ASP 254 N -0.51 0.10 -4.90 0.55 8.00 -1.26 -4.67 116.55 113.86 2wk1 n ASP 254 Ca 0.20 0.10 -0.28 0.00 0.71 0.00 0.00 54.79 55.51 2wk1 n ASP 254 Cb 0.25 0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.36 2wk1 n ASP 254 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2wk1 s GLY 255 N -4.88 1.71 0.19 0.44 0.00 -1.14 -1.36 107.32 102.27 2wk1 s GLY 255 Ca 0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 44.72 44.29 2wk1 s GLY 255 CO 0.00 -0.27 0.09 -1.34 0.00 0.00 0.00 173.10 171.59 2wk1 s VAL 256 N -2.48 0.16 0.17 1.40 -7.23 -0.69 -0.86 120.40 110.87 2wk1 s VAL 256 Ca 0.48 -1.97 -0.13 0.00 -1.81 0.00 0.00 61.98 58.54 2wk1 s VAL 256 Cb -0.10 -2.37 0.01 0.00 0.56 0.00 0.00 36.38 34.48 2wk1 s VAL 256 CO 0.37 -0.16 0.39 -0.72 -0.31 0.00 0.00 175.10 174.66 2wk1 s TYR 257 N -4.03 0.10 0.08 2.82 1.13 -0.06 -0.57 117.35 116.82 2wk1 s TYR 257 Ca 0.34 -0.46 -0.01 0.00 -1.41 0.00 0.00 57.07 55.52 2wk1 s TYR 257 Cb 0.07 0.16 -0.04 0.00 -1.10 0.00 0.00 41.96 41.05 2wk1 s TYR 257 CO 0.09 -0.79 0.01 1.67 -2.51 0.00 0.00 175.55 174.02 2wk1 s TRP 258 N -3.90 0.60 -0.15 -3.49 -2.14 -0.25 -0.61 118.94 109.00 2wk1 s TRP 258 Ca 0.11 -1.09 -0.03 0.00 2.66 0.00 0.00 56.10 57.75 2wk1 s TRP 258 Cb 0.02 -0.40 -0.03 0.00 -3.10 0.00 0.00 33.47 29.96 2wk1 s TRP 258 CO -0.03 -0.43 -0.05 -1.14 -2.66 0.00 0.00 176.95 172.64 2wk1 s GLN 259 N -3.95 3.59 -0.04 3.25 0.74 -1.26 -1.21 119.66 120.76 2wk1 s GLN 259 Ca 0.12 -0.53 -0.30 0.00 0.05 0.00 0.00 55.36 54.69 2wk1 s GLN 259 Cb 0.08 -2.87 -0.03 0.00 1.10 0.00 0.00 33.01 31.29 2wk1 s GLN 259 CO -0.07 0.27 1.13 0.50 -0.55 0.00 0.00 175.29 176.57 2wk1 s ARG 260 N 0.27 4.40 0.00 1.67 3.52 -0.16 -4.81 118.95 123.84 2wk1 s ARG 260 Ca -0.04 1.59 0.05 0.00 -0.13 0.00 0.00 55.73 57.20 2wk1 s ARG 260 Cb -0.14 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.70 2wk1 s ARG 260 CO 0.03 -0.34 0.26 0.25 -0.81 0.00 0.00 175.30 174.69 2wk1 n THR 261 N 4.42 0.00 -1.52 4.11 -2.24 -1.26 -0.33 114.28 117.47 2wk1 n THR 261 Ca 0.10 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2wk1 n THR 261 Cb 0.47 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 2wk1 n THR 261 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04