#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cwd s ARG 3 N 0.00 0.19 0.47 -1.24 1.70 -1.26 -4.97 118.95 113.84 2cwd s ARG 3 Ca 0.00 0.71 -0.24 0.00 -0.47 0.00 0.00 55.73 55.73 2cwd s ARG 3 Cb 0.00 -1.69 -0.07 0.00 -0.57 0.00 0.00 34.95 32.61 2cwd s ARG 3 CO 0.00 -2.94 1.33 -2.14 -1.08 0.00 0.00 175.30 170.47 2cwd s PRO 4 N -4.80 3.60 0.15 3.89 0.02 -1.26 -4.96 135.00 131.65 2cwd s PRO 4 Ca 0.66 2.19 -0.30 0.00 0.02 0.00 0.00 61.00 63.56 2cwd s PRO 4 Cb -0.20 -2.52 -0.08 0.00 0.02 0.00 0.00 34.50 31.72 2cwd s PRO 4 CO 0.60 -0.81 1.25 0.08 -0.33 0.00 0.00 177.00 177.78 2cwd s VAL 5 N -1.30 3.55 -0.21 3.83 1.01 -0.50 -4.79 120.40 121.99 2cwd s VAL 5 Ca 0.64 1.23 -0.08 0.00 0.00 0.00 0.00 61.98 63.77 2cwd s VAL 5 Cb -0.39 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 2cwd s VAL 5 CO 0.48 0.16 0.07 -0.13 0.00 0.00 0.00 175.10 175.68 2cwd s ARG 6 N 0.21 3.87 -0.10 2.72 0.52 -1.26 -0.88 118.95 124.04 2cwd s ARG 6 Ca 0.56 -0.39 0.04 0.00 -0.52 0.00 0.00 55.73 55.42 2cwd s ARG 6 Cb -0.33 -3.27 -0.00 0.00 0.52 0.00 0.00 34.95 31.87 2cwd s ARG 6 CO 0.35 0.11 -0.23 0.08 0.02 0.00 0.00 175.30 175.63 2cwd s VAL 7 N 0.82 2.20 -0.14 3.52 1.01 0.31 -1.26 120.40 126.86 2cwd s VAL 7 Ca 0.04 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.04 2cwd s VAL 7 Cb -0.14 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.43 2cwd s VAL 7 CO 0.02 0.56 -0.11 -0.22 0.00 0.00 0.00 175.10 175.35 2cwd s LEU 8 N 0.26 1.50 0.01 3.92 2.96 0.40 -1.95 118.68 125.77 2cwd s LEU 8 Ca -0.16 -0.43 -0.18 0.00 -0.22 0.00 0.00 54.13 53.14 2cwd s LEU 8 Cb -0.17 -1.03 -0.06 0.00 0.50 0.00 0.00 46.19 45.43 2cwd s LEU 8 CO 0.08 -0.09 0.51 -0.36 -1.32 0.00 0.00 176.35 175.17 2cwd s PHE 9 N 1.58 3.71 -0.04 5.38 0.08 -0.63 -0.97 117.98 127.09 2cwd s PHE 9 Ca 0.05 1.12 0.01 0.00 0.12 0.00 0.00 56.93 58.23 2cwd s PHE 9 Cb -0.13 -2.46 0.02 0.00 -0.57 0.00 0.00 43.02 39.88 2cwd s PHE 9 CO -0.10 0.49 -0.06 0.08 -0.10 0.00 0.00 175.22 175.54 2cwd s VAL 10 N -0.65 0.64 0.00 -0.44 1.01 -0.35 -0.87 120.40 119.74 2cwd s VAL 10 Ca 0.27 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2cwd s VAL 10 Cb -0.18 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.57 2cwd s VAL 10 CO 0.16 0.24 0.00 0.00 0.00 0.00 0.00 175.10 175.50 2cwd h LEU 12 N 0.00 -0.43 0.00 0.00 5.85 -1.94 -1.53 115.31 117.26 2cwd h LEU 12 Ca 0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2cwd h LEU 12 Cb 0.00 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2cwd h LEU 12 CO 0.00 0.01 -1.16 0.61 -0.34 0.00 0.00 178.44 177.56 2cwd n GLY 13 N 0.39 -1.23 2.26 3.75 0.00 -1.26 -1.37 105.19 107.73 2cwd n GLY 13 Ca -0.07 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 2cwd n GLY 13 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2cwd n ASN 14 N -2.14 -4.25 0.00 1.61 4.05 -1.26 -4.54 115.26 108.73 2cwd n ASN 14 Ca 0.01 -0.01 0.00 0.00 0.45 0.00 0.00 54.58 55.02 2cwd n ASN 14 Cb 0.48 -3.42 0.00 0.00 1.23 0.00 0.00 39.78 38.07 2cwd n ASN 14 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 2cwd n ILE 15 N -4.01 0.00 0.00 -1.44 -5.35 -1.26 -4.48 119.36 102.81 2cwd n ILE 15 Ca -0.16 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 2cwd n ILE 15 Cb 0.62 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.56 2cwd n ILE 15 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2cwd h ARG 17 N 0.00 -0.25 -0.55 0.00 3.08 -1.96 -2.56 114.38 112.14 2cwd h ARG 17 Ca 0.00 0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 2cwd h ARG 17 Cb 0.00 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 2cwd h ARG 17 CO 0.00 -0.13 0.07 0.66 -1.07 0.00 0.00 179.97 179.51 2cwd h SER 18 N -0.31 0.89 0.46 7.04 4.64 -1.90 -0.51 113.55 123.86 2cwd h SER 18 Ca -0.03 -0.27 -0.08 0.00 -0.47 0.00 0.00 61.79 60.94 2cwd h SER 18 Cb 0.24 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2cwd h SER 18 CO 0.04 0.94 -0.38 1.55 -0.87 0.00 0.00 176.83 178.11 2cwd h PRO 19 N 0.82 0.00 -0.31 4.77 0.13 -1.81 -1.33 132.00 134.26 2cwd h PRO 19 Ca 0.17 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.14 2cwd h PRO 19 Cb 0.44 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 2cwd h PRO 19 CO 0.01 0.38 -0.41 0.52 -0.23 0.00 0.00 178.00 178.27 2cwd h MET 20 N 0.00 0.77 -0.77 0.86 2.86 -1.14 -1.32 114.93 116.20 2cwd h MET 20 Ca -0.00 -0.41 -0.03 0.00 -2.06 0.00 0.00 59.70 57.19 2cwd h MET 20 Cb 0.71 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.35 2cwd h MET 20 CO 0.05 1.04 0.36 0.00 1.06 0.00 0.00 176.91 179.42 2cwd h ALA 21 N 0.90 1.19 -0.48 6.32 0.00 -0.59 -1.72 119.26 124.88 2cwd h ALA 21 Ca 0.05 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2cwd h ALA 21 Cb 0.97 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2cwd h ALA 21 CO 0.09 0.61 -0.09 1.49 0.00 0.00 0.00 179.25 181.35 2cwd h GLU 22 N 1.09 0.91 -0.56 0.00 4.81 -0.92 -1.66 114.58 118.26 2cwd h GLU 22 Ca 0.26 -0.34 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 2cwd h GLU 22 Cb 0.12 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2cwd h GLU 22 CO -0.03 0.99 0.22 0.78 -0.73 0.00 0.00 179.01 180.24 2cwd h GLY 23 N 0.76 0.90 0.94 1.92 0.00 -0.97 -0.90 103.07 105.73 2cwd h GLY 23 Ca 0.12 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 2cwd h GLY 23 CO 0.04 0.47 0.15 -2.22 0.00 0.00 0.00 176.54 174.98 2cwd h ILE 24 N 0.77 1.20 -0.61 2.60 2.04 -1.26 -1.83 117.51 120.42 2cwd h ILE 24 Ca 0.19 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 2cwd h ILE 24 Cb 0.21 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 2cwd h ILE 24 CO -0.01 0.23 0.37 0.15 0.00 0.00 0.00 178.15 178.89 2cwd h PHE 25 N 0.51 0.80 -0.63 1.37 3.57 -1.12 -0.80 116.94 120.63 2cwd h PHE 25 Ca 0.13 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 2cwd h PHE 25 Cb 0.22 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 2cwd h PHE 25 CO 0.00 0.54 0.26 0.00 -2.23 0.00 0.00 178.31 176.89 2cwd h ARG 26 N 0.82 0.91 -0.32 1.11 3.08 -0.99 -0.46 114.38 118.54 2cwd h ARG 26 Ca 0.22 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 2cwd h ARG 26 Cb -0.03 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 2cwd h ARG 26 CO -0.04 0.74 -0.03 -0.22 -1.07 0.00 0.00 179.97 179.34 2cwd h LYS 27 N 0.90 0.59 -0.47 0.04 3.64 -0.77 -2.80 116.57 117.71 2cwd h LYS 27 Ca 0.22 -0.20 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 2cwd h LYS 27 Cb 0.16 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2cwd h LYS 27 CO -0.02 0.74 -0.05 -0.07 -2.27 0.00 0.00 179.45 177.78 2cwd h LEU 28 N 0.38 0.78 -1.14 5.20 3.38 -0.80 -1.96 115.31 121.16 2cwd h LEU 28 Ca 0.09 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2cwd h LEU 28 Cb 0.50 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2cwd h LEU 28 CO 0.02 0.88 0.58 -0.07 0.09 0.00 0.00 178.44 179.95 2cwd h LEU 29 N 0.74 1.01 -0.08 1.67 3.38 -0.99 -0.63 115.31 120.40 2cwd h LEU 29 Ca 0.14 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2cwd h LEU 29 Cb 0.52 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2cwd h LEU 29 CO 0.03 0.73 -0.05 0.11 0.09 0.00 0.00 178.44 179.34 2cwd h LYS 30 N 1.19 0.18 -0.61 1.13 1.57 -1.20 0.58 116.57 119.40 2cwd h LYS 30 Ca 0.32 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 2cwd h LYS 30 Cb -0.13 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 2cwd h LYS 30 CO -0.07 0.57 0.26 0.93 -0.57 0.00 0.00 179.45 180.57 2cwd h GLU 31 N -0.21 0.88 -0.01 3.15 4.39 -1.07 -2.71 114.58 119.00 2cwd h GLU 31 Ca 0.02 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.59 2cwd h GLU 31 Cb 0.52 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2cwd h GLU 31 CO 0.01 0.71 -0.16 0.54 -1.16 0.00 0.00 179.01 178.95 2cwd n ARG 32 N -4.33 1.04 -3.14 2.33 1.74 -0.27 -4.96 116.66 109.08 2cwd n ARG 32 Ca 0.05 -0.57 -0.14 0.00 -0.77 0.00 0.00 57.85 56.42 2cwd n ARG 32 Cb 0.15 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.17 2cwd n ARG 32 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cwd n GLY 33 N 1.28 -0.10 0.06 -0.13 0.00 -0.67 -4.95 105.19 100.68 2cwd n GLY 33 Ca 0.15 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.18 2cwd n GLY 33 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cwd n LEU 34 N -3.42 2.26 0.31 0.99 4.77 0.11 -4.75 117.00 117.27 2cwd n LEU 34 Ca -0.09 -2.72 0.19 0.00 -0.03 0.00 0.00 56.01 53.36 2cwd n LEU 34 Cb 0.58 -0.29 1.02 0.00 -2.33 0.00 0.00 43.42 42.40 2cwd n LEU 34 CO 0.44 0.64 1.12 -0.33 -1.33 0.00 0.00 177.39 177.93 2cwd h GLU 35 N 0.05 0.00 -0.00 3.23 5.08 -1.88 -1.16 114.58 119.88 2cwd h GLU 35 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2cwd h GLU 35 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2cwd h GLU 35 CO 0.00 0.02 -0.18 -0.40 -1.00 0.00 0.00 179.01 177.45 2cwd n ASP 36 N -3.33 0.67 -0.08 1.42 5.75 -1.26 -3.96 116.55 115.76 2cwd n ASP 36 Ca -0.02 -0.64 0.03 0.00 -0.01 0.00 0.00 54.79 54.15 2cwd n ASP 36 Cb 0.13 0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 40.21 2cwd n ASP 36 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2cwd n ARG 37 N -0.89 3.55 -4.04 0.11 1.74 -0.45 -4.76 116.66 111.92 2cwd n ARG 37 Ca 0.13 -0.25 -0.10 0.00 -0.77 0.00 0.00 57.85 56.86 2cwd n ARG 37 Cb 0.31 -0.90 -0.11 0.00 -1.02 0.00 0.00 32.46 30.74 2cwd n ARG 37 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2cwd s PHE 38 N -1.36 0.51 0.01 -1.55 0.08 -1.12 -1.40 117.98 113.15 2cwd s PHE 38 Ca 0.04 -0.64 0.04 0.00 0.12 0.00 0.00 56.93 56.49 2cwd s PHE 38 Cb 0.05 -0.33 -0.01 0.00 -0.57 0.00 0.00 43.02 42.16 2cwd s PHE 38 CO 0.22 -0.18 -0.12 -1.21 -0.10 0.00 0.00 175.22 173.83 2cwd s GLU 39 N -2.12 0.92 0.03 0.44 2.02 -0.06 -4.84 118.70 115.09 2cwd s GLU 39 Ca -0.08 -0.56 -0.05 0.00 0.02 0.00 0.00 54.97 54.31 2cwd s GLU 39 Cb -0.06 -0.90 -0.01 0.00 0.10 0.00 0.00 34.13 33.27 2cwd s GLU 39 CO -0.02 0.23 0.08 0.54 0.02 0.00 0.00 175.26 176.11 2cwd s VAL 40 N -0.54 0.12 0.26 2.63 0.11 -1.26 -0.53 120.40 121.20 2cwd s VAL 40 Ca 0.03 -1.01 -0.21 0.00 -2.93 0.00 0.00 61.98 57.86 2cwd s VAL 40 Cb -0.06 -0.72 0.05 0.00 -1.53 0.00 0.00 36.38 34.12 2cwd s VAL 40 CO 0.00 -0.56 0.84 -0.62 -3.33 0.00 0.00 175.10 171.44 2cwd s ASP 41 N -1.89 -0.13 0.03 3.54 2.15 -0.82 -4.98 116.67 114.56 2cwd s ASP 41 Ca -0.08 -0.72 -0.05 0.00 0.43 0.00 0.00 52.55 52.13 2cwd s ASP 41 Cb -0.04 0.67 -0.01 0.00 -0.30 0.00 0.00 42.92 43.25 2cwd s ASP 41 CO -0.03 -1.28 0.08 -0.94 -0.17 0.00 0.00 175.17 172.83 2cwd s SER 42 N -3.03 0.17 0.21 -0.34 1.04 -1.26 -1.61 113.70 108.87 2cwd s SER 42 Ca 0.14 -0.48 -0.14 0.00 0.48 0.00 0.00 55.95 55.95 2cwd s SER 42 Cb -0.04 0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.29 2cwd s SER 42 CO 0.07 -0.46 0.46 0.00 0.98 0.00 0.00 173.24 174.29 2cwd s ALA 43 N -2.25 -0.50 0.23 5.32 0.00 -0.05 -4.70 121.76 119.81 2cwd s ALA 43 Ca -0.08 -0.59 0.10 0.00 0.00 0.00 0.00 51.96 51.39 2cwd s ALA 43 Cb -0.03 0.92 -0.04 0.00 0.00 0.00 0.00 23.12 23.96 2cwd s ALA 43 CO -0.03 -0.79 -0.13 0.20 0.00 0.00 0.00 175.76 175.01 2cwd s GLY 44 N -2.94 1.75 0.36 0.00 0.00 -0.36 -2.59 107.32 103.54 2cwd s GLY 44 Ca 0.15 -1.66 0.20 0.00 0.00 0.00 0.00 44.72 43.41 2cwd s GLY 44 CO 0.02 -1.71 1.60 -0.91 0.00 0.00 0.00 173.10 172.10 2cwd h THR 45 N 2.51 0.58 -1.59 0.90 1.35 -0.77 0.39 112.91 116.27 2cwd h THR 45 Ca -0.44 -1.62 -0.46 0.00 -0.55 0.00 0.00 66.41 63.33 2cwd h THR 45 Cb 1.23 2.13 -0.01 0.00 -1.73 0.00 0.00 68.15 69.77 2cwd h THR 45 CO 0.56 0.30 -0.35 -0.83 -0.25 0.00 0.00 175.52 174.95 2cwd s GLY 46 N -4.35 1.94 0.00 5.82 0.00 -0.47 -4.77 107.32 105.49 2cwd s GLY 46 Ca 0.04 -1.72 0.08 0.00 0.00 0.00 0.00 44.72 43.11 2cwd s GLY 46 CO 0.69 -1.57 0.98 0.00 0.00 0.00 0.00 173.10 173.20 2cwd n ALA 47 N -1.61 2.31 -0.08 3.20 0.00 -1.26 -4.48 120.51 118.58 2cwd n ALA 47 Ca 0.03 -0.84 0.19 0.00 0.00 0.00 0.00 53.44 52.82 2cwd n ALA 47 Cb 0.60 -0.30 0.61 0.00 0.00 0.00 0.00 19.45 20.36 2cwd n ALA 47 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2cwd h TRP 48 N 1.57 0.21 -0.34 0.00 2.91 -1.92 -2.71 115.95 115.67 2cwd h TRP 48 Ca 0.00 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.03 2cwd h TRP 48 Cb 0.51 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 29.09 2cwd h TRP 48 CO 0.09 0.08 0.00 0.72 -1.03 0.00 0.00 178.44 178.30 2cwd n HIS 49 N -4.42 0.62 -1.60 2.65 8.25 -1.26 -5.04 115.22 114.42 2cwd n HIS 49 Ca 0.12 -0.60 -0.50 0.00 -0.26 0.00 0.00 57.72 56.48 2cwd n HIS 49 Cb 0.59 -0.11 -0.05 0.00 1.12 0.00 0.00 29.99 31.55 2cwd n HIS 49 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2cwd n VAL 50 N 0.28 0.31 0.00 1.59 0.31 -1.02 -1.25 118.33 118.55 2cwd n VAL 50 Ca 0.15 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2cwd n VAL 50 Cb 0.56 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 2cwd n VAL 50 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2cwd n GLY 51 N 2.48 2.21 3.87 2.92 0.00 0.53 -4.98 105.19 112.22 2cwd n GLY 51 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2cwd n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cwd s GLU 52 N -0.47 3.77 0.81 1.61 2.02 -0.38 -4.68 118.70 121.38 2cwd s GLU 52 Ca 0.00 0.69 -0.11 0.00 0.02 0.00 0.00 54.97 55.57 2cwd s GLU 52 Cb 0.00 -2.21 0.10 0.00 0.10 0.00 0.00 34.13 32.12 2cwd s GLU 52 CO 0.00 -0.28 1.15 -1.25 0.02 0.00 0.00 175.26 174.90 2cwd s PRO 53 N -4.39 1.75 1.01 0.39 0.04 -1.26 -0.40 135.00 132.14 2cwd s PRO 53 Ca 0.55 -0.15 -0.12 0.00 0.04 0.00 0.00 61.00 61.32 2cwd s PRO 53 Cb -0.10 -2.01 0.20 0.00 0.04 0.00 0.00 34.50 32.63 2cwd s PRO 53 CO 0.39 -1.66 1.08 0.00 0.04 0.00 0.00 177.00 176.85 2cwd s MET 54 N -5.53 0.30 0.38 4.56 0.23 -1.26 -4.79 119.30 113.19 2cwd s MET 54 Ca 0.64 0.90 -0.28 0.00 -1.03 0.00 0.00 55.69 55.92 2cwd s MET 54 Cb -0.09 -1.69 -0.11 0.00 -1.53 0.00 0.00 34.83 31.41 2cwd s MET 54 CO 0.48 -2.92 1.47 0.34 -2.03 0.00 0.00 175.02 172.37 2cwd s ASP 55 N -2.99 6.36 0.37 -1.18 -1.08 0.11 -4.77 116.67 113.48 2cwd s ASP 55 Ca 0.66 3.02 0.12 0.00 -0.52 0.00 0.00 52.55 55.83 2cwd s ASP 55 Cb -0.21 -2.67 0.92 0.00 -1.46 0.00 0.00 42.92 39.50 2cwd s ASP 55 CO 0.60 -0.86 1.83 -0.65 0.52 0.00 0.00 175.17 176.61 2cwd h PRO 56 N 3.00 0.57 -0.18 4.34 0.11 -1.92 0.16 132.00 138.09 2cwd h PRO 56 Ca -0.51 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.45 2cwd h PRO 56 Cb 1.24 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2cwd h PRO 56 CO 0.64 0.38 -0.40 0.00 -0.21 0.00 0.00 178.00 178.41 2cwd h ARG 57 N 0.59 0.40 -0.09 1.05 3.08 -1.95 -0.44 114.38 117.01 2cwd h ARG 57 Ca 0.50 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 60.33 2cwd h ARG 57 Cb 1.00 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.04 2cwd h ARG 57 CO -0.25 0.73 -0.09 0.00 -1.07 0.00 0.00 179.97 179.30 2cwd h ALA 58 N 1.25 0.14 -0.79 0.04 0.00 -1.09 -2.36 119.26 116.44 2cwd h ALA 58 Ca 0.03 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.69 2cwd h ALA 58 Cb 0.84 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 2cwd h ALA 58 CO 0.07 -0.04 0.50 -0.09 0.00 0.00 0.00 179.25 179.69 2cwd h ARG 59 N -0.18 0.94 -0.07 0.00 2.43 -0.89 -1.12 114.38 115.49 2cwd h ARG 59 Ca 0.02 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2cwd h ARG 59 Cb 0.60 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2cwd h ARG 59 CO 0.02 0.62 0.04 -0.09 -1.51 0.00 0.00 179.97 179.06 2cwd h ARG 60 N 0.97 0.09 -0.65 0.20 9.65 -1.02 -0.46 114.38 123.17 2cwd h ARG 60 Ca 0.32 -0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 59.13 2cwd h ARG 60 Cb 0.04 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.57 2cwd h ARG 60 CO -0.12 0.07 0.13 0.28 2.80 0.00 0.00 179.97 183.13 2cwd h VAL 61 N 0.08 1.25 -0.57 0.20 2.07 -1.15 -0.99 116.25 117.15 2cwd h VAL 61 Ca 0.02 -0.96 -0.09 0.00 0.82 0.00 0.00 66.70 66.49 2cwd h VAL 61 Cb 0.00 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2cwd h VAL 61 CO -0.01 0.36 -0.01 -0.07 0.02 0.00 0.00 177.57 177.87 2cwd h LEU 62 N 0.98 0.97 -0.75 2.57 3.38 -0.99 -2.21 115.31 119.26 2cwd h LEU 62 Ca 0.20 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 2cwd h LEU 62 Cb 0.38 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2cwd h LEU 62 CO 0.01 1.03 0.19 -0.33 0.09 0.00 0.00 178.44 179.43 2cwd h GLU 63 N 0.91 1.14 -0.48 1.13 5.08 -0.72 0.29 114.58 121.93 2cwd h GLU 63 Ca 0.16 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2cwd h GLU 63 Cb 0.54 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2cwd h GLU 63 CO 0.03 0.99 0.32 0.93 -1.00 0.00 0.00 179.01 180.28 2cwd h GLU 64 N 1.09 0.62 -0.30 2.33 5.08 -0.77 -2.53 114.58 120.10 2cwd h GLU 64 Ca 0.23 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2cwd h GLU 64 Cb 0.35 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2cwd h GLU 64 CO -0.00 0.41 0.00 0.39 -1.00 0.00 0.00 179.01 178.81 2cwd n GLU 65 N -4.47 2.47 -3.17 2.33 -0.58 -0.87 -4.97 120.64 111.40 2cwd n GLU 65 Ca 0.04 -2.21 -0.15 0.00 -0.42 0.00 0.00 57.16 54.43 2cwd n GLU 65 Cb 0.06 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.48 2cwd n GLU 65 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2cwd n GLY 66 N 1.47 0.01 0.20 0.62 0.00 -0.03 -4.93 105.19 102.53 2cwd n GLY 66 Ca 0.18 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.15 2cwd n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cwd n ALA 67 N -3.99 2.02 -1.77 4.61 0.00 0.82 -4.91 120.51 117.28 2cwd n ALA 67 Ca -0.01 -1.67 -0.32 0.00 0.00 0.00 0.00 53.44 51.44 2cwd n ALA 67 Cb 0.54 -0.33 -0.02 0.00 0.00 0.00 0.00 19.45 19.64 2cwd n ALA 67 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2cwd s TYR 68 N -1.40 3.27 0.14 0.00 5.04 -1.19 -4.30 117.35 118.90 2cwd s TYR 68 Ca 0.14 1.49 -0.24 0.00 -2.44 0.00 0.00 57.07 56.02 2cwd s TYR 68 Cb 0.12 -2.88 0.07 0.00 0.35 0.00 0.00 41.96 39.63 2cwd s TYR 68 CO 0.01 -0.66 0.63 -0.59 -1.34 0.00 0.00 175.55 173.60 2cwd s PHE 69 N -2.55 -0.52 -0.36 4.97 -0.12 -1.26 -5.03 117.98 113.11 2cwd s PHE 69 Ca 0.61 0.32 -0.29 0.00 -0.05 0.00 0.00 56.93 57.52 2cwd s PHE 69 Cb -0.12 0.56 -0.00 0.00 -0.63 0.00 0.00 43.02 42.82 2cwd s PHE 69 CO 0.33 -0.81 1.57 -1.25 -0.05 0.00 0.00 175.22 175.00 2cwd s PRO 70 N -3.67 3.51 0.04 1.99 0.04 -1.26 -4.97 135.00 130.68 2cwd s PRO 70 Ca 0.01 1.18 0.05 0.00 0.04 0.00 0.00 61.00 62.29 2cwd s PRO 70 Cb -0.01 -4.08 -0.04 0.00 0.04 0.00 0.00 34.50 30.41 2cwd s PRO 70 CO -0.12 -1.64 -0.10 -1.58 0.04 0.00 0.00 177.00 173.60 2cwd s HIS 71 N 5.91 2.78 -0.08 0.56 2.46 -1.26 -5.10 115.29 120.56 2cwd s HIS 71 Ca 0.69 -0.12 -0.01 0.00 0.47 0.00 0.00 55.06 56.09 2cwd s HIS 71 Cb -0.18 -1.53 0.03 0.00 -0.13 0.00 0.00 32.58 30.77 2cwd s HIS 71 CO 0.33 0.36 -0.02 0.08 -2.47 0.00 0.00 174.74 173.02 2cwd s VAL 72 N -1.05 0.55 0.28 0.89 1.01 -1.26 -4.28 120.40 116.53 2cwd s VAL 72 Ca 0.18 -0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 2cwd s VAL 72 Cb -0.11 -0.66 -0.09 0.00 0.00 0.00 0.00 36.38 35.51 2cwd s VAL 72 CO 0.09 0.28 1.18 0.00 0.00 0.00 0.00 175.10 176.65 2cwd s ALA 73 N 1.81 3.44 0.16 5.51 0.00 0.46 -4.88 121.76 128.25 2cwd s ALA 73 Ca 0.04 1.01 -0.06 0.00 0.00 0.00 0.00 51.96 52.95 2cwd s ALA 73 Cb -0.12 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 2cwd s ALA 73 CO -0.05 -0.33 0.20 -0.98 0.00 0.00 0.00 175.76 174.59 2cwd s ARG 74 N -1.30 1.09 -0.14 0.00 1.70 -1.26 -0.34 118.95 118.69 2cwd s ARG 74 Ca 0.47 -1.29 -0.07 0.00 -0.47 0.00 0.00 55.73 54.38 2cwd s ARG 74 Cb -0.34 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.32 2cwd s ARG 74 CO 0.43 -0.37 0.09 0.50 -1.08 0.00 0.00 175.30 174.88 2cwd s ARG 75 N -4.01 3.59 0.31 3.89 3.52 -1.26 -1.22 118.95 123.78 2cwd s ARG 75 Ca 0.21 -0.24 -0.28 0.00 -0.13 0.00 0.00 55.73 55.28 2cwd s ARG 75 Cb 0.05 -3.16 -0.13 0.00 -1.56 0.00 0.00 34.95 30.15 2cwd s ARG 75 CO 0.01 0.58 1.19 -0.11 -0.81 0.00 0.00 175.30 176.16 2cwd n LEU 76 N 2.60 2.83 -4.49 -0.88 7.94 0.14 -4.82 117.00 120.32 2cwd n LEU 76 Ca -0.18 1.19 -0.23 0.00 -1.11 0.00 0.00 56.01 55.68 2cwd n LEU 76 Cb 0.54 -1.40 -0.11 0.00 0.53 0.00 0.00 43.42 42.98 2cwd n LEU 76 CO 0.32 -0.84 -0.28 0.42 -1.11 0.00 0.00 177.39 175.90 2cwd s THR 77 N -1.01 1.41 0.39 1.96 -4.23 -1.26 -4.98 115.64 107.92 2cwd s THR 77 Ca 0.58 -2.01 0.08 0.00 -1.18 0.00 0.00 61.69 59.16 2cwd s THR 77 Cb -0.63 -2.82 0.18 0.00 1.34 0.00 0.00 72.50 70.58 2cwd s THR 77 CO 0.61 -0.02 1.94 -0.09 -0.54 0.00 0.00 174.62 176.52 2cwd h ARG 78 N 2.05 0.33 -0.74 3.99 2.43 -1.99 -2.00 114.38 118.45 2cwd h ARG 78 Ca -0.41 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 58.67 2cwd h ARG 78 Cb 1.24 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 2cwd h ARG 78 CO 0.72 0.39 0.36 1.49 -1.51 0.00 0.00 179.97 181.42 2cwd h GLU 79 N 0.32 1.06 -0.37 0.20 4.81 -2.00 -2.59 114.58 116.02 2cwd h GLU 79 Ca 0.07 -0.15 0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2cwd h GLU 79 Cb 0.28 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 2cwd h GLU 79 CO 0.01 0.83 0.14 -0.44 -0.73 0.00 0.00 179.01 178.82 2cwd h ASP 80 N 1.04 0.17 -0.40 1.04 3.32 -1.77 0.25 116.42 120.07 2cwd h ASP 80 Ca 0.25 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.35 2cwd h ASP 80 Cb 0.11 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 2cwd h ASP 80 CO -0.03 0.13 0.26 0.58 -1.72 0.00 0.00 179.24 178.47 2cwd h VAL 81 N 0.30 1.08 0.05 -1.35 2.07 -1.28 -0.54 116.25 116.58 2cwd h VAL 81 Ca 0.17 -0.17 -0.18 0.00 0.82 0.00 0.00 66.70 67.33 2cwd h VAL 81 Cb 0.13 0.53 0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2cwd h VAL 81 CO -0.16 0.09 -0.73 -0.07 0.02 0.00 0.00 177.57 176.72 2cwd h LEU 82 N 0.51 0.56 -0.17 2.57 4.07 -1.03 -3.38 115.31 118.44 2cwd h LEU 82 Ca 0.15 -0.82 -0.21 0.00 0.08 0.00 0.00 57.88 57.08 2cwd h LEU 82 Cb -0.01 -0.17 0.01 0.00 1.08 0.00 0.00 40.66 41.57 2cwd h LEU 82 CO -0.03 1.31 -0.73 0.00 -1.08 0.00 0.00 178.44 177.91 2cwd h ALA 83 N 0.26 0.31 -2.47 1.53 0.00 -0.64 -3.46 119.26 114.79 2cwd h ALA 83 Ca -0.11 -0.58 -0.47 0.00 0.00 0.00 0.00 54.91 53.75 2cwd h ALA 83 Cb 1.47 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 2cwd h ALA 83 CO 0.14 0.65 0.33 0.71 0.00 0.00 0.00 179.25 181.09 2cwd s TYR 84 N -3.79 3.70 -0.05 0.00 2.02 -0.24 -4.87 117.35 114.12 2cwd s TYR 84 Ca -0.11 1.77 0.00 0.00 -0.37 0.00 0.00 57.07 58.36 2cwd s TYR 84 Cb 0.08 -2.91 -0.26 0.00 -0.40 0.00 0.00 41.96 38.48 2cwd s TYR 84 CO 0.90 0.23 0.63 -0.44 -1.57 0.00 0.00 175.55 175.29 2cwd h ASP 85 N 3.23 0.28 -3.13 2.29 3.32 -1.59 -3.45 116.42 117.37 2cwd h ASP 85 Ca -0.47 -0.53 -0.59 0.00 0.02 0.00 0.00 57.03 55.46 2cwd h ASP 85 Cb 1.19 -0.09 -0.36 0.00 0.22 0.00 0.00 39.33 40.29 2cwd h ASP 85 CO 0.65 1.46 -0.83 -1.00 -1.72 0.00 0.00 179.24 177.80 2cwd s HIS 86 N -2.59 2.10 -0.43 4.55 3.76 -0.39 -4.77 115.29 117.52 2cwd s HIS 86 Ca -0.12 -1.17 -0.03 0.00 -0.15 0.00 0.00 55.06 53.59 2cwd s HIS 86 Cb 0.07 -1.56 0.12 0.00 1.11 0.00 0.00 32.58 32.32 2cwd s HIS 86 CO 0.81 -0.65 0.24 0.42 -0.85 0.00 0.00 174.74 174.71 2cwd s ILE 87 N 1.50 3.37 -0.47 0.60 1.01 -0.36 -0.45 121.20 126.40 2cwd s ILE 87 Ca 0.05 -2.14 -0.15 0.00 0.00 0.00 0.00 60.65 58.40 2cwd s ILE 87 Cb -0.13 -3.30 0.07 0.00 0.01 0.00 0.00 42.46 39.11 2cwd s ILE 87 CO -0.10 -0.72 0.39 -0.76 0.00 0.00 0.00 174.94 173.75 2cwd s LEU 88 N 1.03 5.58 0.37 2.97 1.43 -0.14 -1.53 118.68 128.39 2cwd s LEU 88 Ca 0.09 -1.29 -0.04 0.00 -1.03 0.00 0.00 54.13 51.87 2cwd s LEU 88 Cb -0.23 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 2cwd s LEU 88 CO -0.04 -0.63 0.63 0.68 0.23 0.00 0.00 176.35 177.22 2cwd s VAL 89 N 1.65 5.00 -0.03 -1.59 -7.23 -0.56 -1.21 120.40 116.44 2cwd s VAL 89 Ca 0.04 -0.04 -0.21 0.00 -1.81 0.00 0.00 61.98 59.96 2cwd s VAL 89 Cb -0.24 -3.81 -0.26 0.00 0.56 0.00 0.00 36.38 32.62 2cwd s VAL 89 CO 0.07 -0.56 1.01 0.24 -0.31 0.00 0.00 175.10 175.54 2cwd h MET 90 N 0.93 0.33 0.00 4.82 0.00 -1.77 0.42 114.93 119.66 2cwd h MET 90 Ca -0.48 -0.42 -0.40 0.00 0.00 0.00 0.00 59.70 58.39 2cwd h MET 90 Cb 1.20 0.14 -0.10 0.00 0.00 0.00 0.00 31.60 32.84 2cwd h MET 90 CO 0.63 1.13 -0.38 -0.40 0.00 0.00 0.00 176.91 177.89 2cwd n ASP 91 N -4.23 -0.38 0.20 1.22 5.68 -1.26 -0.71 116.55 117.08 2cwd n ASP 91 Ca -0.12 -2.80 0.06 0.00 -0.50 0.00 0.00 54.79 51.43 2cwd n ASP 91 Cb 0.70 1.31 0.43 0.00 -1.14 0.00 0.00 41.12 42.43 2cwd n ASP 91 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2cwd h ARG 92 N 0.00 0.00 -0.38 0.11 3.08 -1.94 -1.95 114.38 113.29 2cwd h ARG 92 Ca -0.20 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.71 2cwd h ARG 92 Cb 0.99 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 2cwd h ARG 92 CO 0.30 0.32 -0.32 0.93 -1.07 0.00 0.00 179.97 180.13 2cwd h GLU 93 N 0.00 0.85 -0.39 0.04 5.08 -1.99 -1.08 114.58 117.09 2cwd h GLU 93 Ca -0.00 -0.40 -0.03 0.00 -1.00 0.00 0.00 59.36 57.92 2cwd h GLU 93 Cb 0.66 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 2cwd h GLU 93 CO 0.04 1.05 0.13 -0.91 -1.00 0.00 0.00 179.01 178.32 2cwd h ASN 94 N 0.72 0.55 -0.27 1.42 -0.26 -1.87 -1.67 115.58 114.20 2cwd h ASN 94 Ca 0.08 -0.19 0.02 0.00 -0.56 0.00 0.00 56.30 55.65 2cwd h ASN 94 Cb 0.87 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.97 2cwd h ASN 94 CO 0.08 0.59 0.11 0.25 -1.06 0.00 0.00 177.43 177.40 2cwd h LEU 95 N 0.48 0.15 -1.09 1.61 5.85 -1.19 -0.72 115.31 120.39 2cwd h LEU 95 Ca 0.13 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 2cwd h LEU 95 Cb 0.23 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2cwd h LEU 95 CO -0.01 0.12 -0.16 -0.33 -0.34 0.00 0.00 178.44 177.72 2cwd h GLU 96 N 0.25 0.45 -0.32 1.25 5.08 -1.08 -2.46 114.58 117.74 2cwd h GLU 96 Ca 0.12 -0.14 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 2cwd h GLU 96 Cb 0.06 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2cwd h GLU 96 CO -0.10 0.60 -0.39 1.49 -1.00 0.00 0.00 179.01 179.61 2cwd h GLU 97 N 0.41 0.84 -0.11 2.33 4.57 -0.86 -1.47 114.58 120.29 2cwd h GLU 97 Ca 0.07 -0.47 -0.00 0.00 -1.18 0.00 0.00 59.36 57.78 2cwd h GLU 97 Cb 0.53 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 2cwd h GLU 97 CO 0.03 1.11 0.05 0.28 -1.18 0.00 0.00 179.01 179.30 2cwd h VAL 98 N 0.62 1.12 0.00 0.32 2.07 -1.02 -2.73 116.25 116.63 2cwd h VAL 98 Ca 0.04 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 2cwd h VAL 98 Cb 0.99 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 2cwd h VAL 98 CO 0.09 0.11 -0.13 -0.07 0.02 0.00 0.00 177.57 177.60 2cwd h LEU 99 N 0.05 0.00 -0.02 2.57 3.38 -1.42 0.17 115.31 120.04 2cwd h LEU 99 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2cwd h LEU 99 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2cwd h LEU 99 CO -0.00 0.13 -0.03 -0.09 0.09 0.00 0.00 178.44 178.53 2cwd h ARG 100 N 0.00 0.07 0.04 1.13 2.43 -0.98 -2.69 114.38 114.38 2cwd h ARG 100 Ca -0.00 -0.04 -0.24 0.00 -0.81 0.00 0.00 59.98 58.88 2cwd h ARG 100 Cb 0.34 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2cwd h ARG 100 CO 0.02 0.58 -0.98 0.00 -1.51 0.00 0.00 179.97 178.08 2cwd h ARG 101 N -0.44 0.59 -2.22 0.20 3.08 -1.34 -3.40 114.38 110.86 2cwd h ARG 101 Ca 0.00 -0.69 -0.59 0.00 0.07 0.00 0.00 59.98 58.77 2cwd h ARG 101 Cb 0.57 0.21 -0.41 0.00 0.08 0.00 0.00 29.97 30.42 2cwd h ARG 101 CO 0.01 1.29 -0.76 1.19 -1.07 0.00 0.00 179.97 180.62 2cwd n PHE 102 N -3.94 2.23 0.26 3.04 3.72 0.60 -4.89 117.46 118.47 2cwd n PHE 102 Ca -0.12 -3.96 0.17 0.00 -0.05 0.00 0.00 57.45 53.49 2cwd n PHE 102 Cb 0.86 -0.47 0.78 0.00 -0.94 0.00 0.00 39.48 39.71 2cwd n PHE 102 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2cwd h PRO 103 N 4.30 0.00 0.00 -1.08 0.13 -1.66 -0.22 132.00 133.47 2cwd h PRO 103 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2cwd h PRO 103 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2cwd h PRO 103 CO 0.70 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.62 2cwd n GLU 104 N -3.15 0.04 -0.64 0.86 0.00 -1.26 -1.91 120.64 114.58 2cwd n GLU 104 Ca 0.01 0.31 0.05 0.00 0.00 0.00 0.00 57.16 57.54 2cwd n GLU 104 Cb 0.47 -1.50 0.29 0.00 0.00 0.00 0.00 31.44 30.71 2cwd n GLU 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2cwd n ALA 105 N -1.40 3.48 -0.36 -1.84 0.00 -0.09 -4.71 120.51 115.59 2cwd n ALA 105 Ca 0.02 -1.38 -0.04 0.00 0.00 0.00 0.00 53.44 52.05 2cwd n ALA 105 Cb 0.07 -1.09 0.01 0.00 0.00 0.00 0.00 19.45 18.44 2cwd n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cwd h ARG 106 N 2.93 -0.03 0.00 0.00 3.08 -1.62 -2.16 114.38 116.58 2cwd h ARG 106 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 2cwd h ARG 106 Cb 1.55 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.59 2cwd h ARG 106 CO 0.35 -0.02 -0.85 0.78 -1.07 0.00 0.00 179.97 179.15 2cwd h GLY 107 N -0.03 0.00 -0.08 0.04 0.00 -1.89 -3.36 103.07 97.74 2cwd h GLY 107 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 2cwd h GLY 107 CO -0.93 0.00 -0.91 0.58 0.00 0.00 0.00 176.54 175.28 2cwd n LYS 108 N -3.02 0.16 -3.57 4.80 2.85 -0.86 -4.90 118.16 113.61 2cwd n LYS 108 Ca -0.02 -0.13 -0.37 0.00 -1.05 0.00 0.00 58.31 56.74 2cwd n LYS 108 Cb 0.73 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.55 2cwd n LYS 108 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2cwd s VAL 109 N -2.93 5.26 0.14 0.58 0.11 -0.90 -1.23 120.40 121.43 2cwd s VAL 109 Ca 0.10 0.59 -0.24 0.00 -2.93 0.00 0.00 61.98 59.49 2cwd s VAL 109 Cb 0.16 -3.62 0.07 0.00 -1.53 0.00 0.00 36.38 31.46 2cwd s VAL 109 CO 0.82 0.48 0.77 0.00 -3.33 0.00 0.00 175.10 173.84 2cwd s ARG 110 N -0.20 1.25 0.22 1.54 1.70 -0.58 -4.99 118.95 117.89 2cwd s ARG 110 Ca 0.19 -0.57 -0.30 0.00 -0.47 0.00 0.00 55.73 54.57 2cwd s ARG 110 Cb -0.14 0.51 -0.10 0.00 -0.57 0.00 0.00 34.95 34.65 2cwd s ARG 110 CO 0.07 -0.56 1.44 -0.51 -1.08 0.00 0.00 175.30 174.66 2cwd s LEU 111 N -2.75 4.38 0.39 -1.89 1.43 -1.26 -1.49 118.68 117.49 2cwd s LEU 111 Ca 0.06 2.60 0.10 0.00 -1.03 0.00 0.00 54.13 55.87 2cwd s LEU 111 Cb -0.02 -3.61 0.89 0.00 0.03 0.00 0.00 46.19 43.47 2cwd s LEU 111 CO -0.05 -0.70 1.94 1.62 0.23 0.00 0.00 176.35 179.39 2cwd h VAL 112 N 3.70 0.91 0.00 -1.59 3.04 -1.18 -0.15 116.25 120.99 2cwd h VAL 112 Ca -0.45 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 2cwd h VAL 112 Cb 1.21 0.27 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 2cwd h VAL 112 CO 0.81 0.11 0.00 0.18 -1.01 0.00 0.00 177.57 177.65 2cwd n LEU 113 N -4.49 0.00 0.26 3.16 4.77 -1.26 -2.94 117.00 116.49 2cwd n LEU 113 Ca 0.12 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.22 2cwd n LEU 113 Cb 0.37 0.00 0.70 0.00 -2.33 0.00 0.00 43.42 42.15 2cwd n LEU 113 CO 0.33 0.00 0.96 -0.33 -1.33 0.00 0.00 177.39 177.02 2cwd h GLU 114 N 0.00 0.00 0.00 3.23 4.39 -1.30 -0.20 114.58 120.70 2cwd h GLU 114 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2cwd h GLU 114 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2cwd h GLU 114 CO 0.00 0.13 -0.00 0.93 -1.16 0.00 0.00 179.01 178.91 2cwd h GLU 115 N 0.00 0.00 -0.20 2.33 4.39 -1.74 0.55 114.58 119.91 2cwd h GLU 115 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2cwd h GLU 115 Cb 0.33 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2cwd h GLU 115 CO 0.02 0.00 -0.00 1.28 -1.16 0.00 0.00 179.01 179.14 2cwd n LEU 116 N -3.47 3.52 0.00 1.33 4.77 -0.25 -4.85 117.00 118.05 2cwd n LEU 116 Ca -0.03 -3.07 0.00 0.00 -0.03 0.00 0.00 56.01 52.88 2cwd n LEU 116 Cb 0.08 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 2cwd n LEU 116 CO 0.24 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 2cwd n GLY 117 N -0.76 0.78 0.00 -0.72 0.00 0.18 -4.99 105.19 99.68 2cwd n GLY 117 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2cwd n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cwd n GLY 118 N -2.45 3.13 0.00 -0.02 0.00 -0.25 -4.92 105.19 100.67 2cwd n GLY 118 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 2cwd n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cwd n GLY 119 N -0.55 2.94 3.29 -0.02 0.00 -1.26 -4.72 105.19 104.88 2cwd n GLY 119 Ca 0.00 -1.89 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 2cwd n GLY 119 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cwd s GLU 120 N -1.98 1.73 -0.38 1.61 2.02 -1.26 -4.45 118.70 115.99 2cwd s GLU 120 Ca 0.00 -0.96 -0.21 0.00 0.02 0.00 0.00 54.97 53.82 2cwd s GLU 120 Cb 0.00 -1.80 0.01 0.00 0.10 0.00 0.00 34.13 32.44 2cwd s GLU 120 CO 0.00 0.48 0.64 0.08 0.02 0.00 0.00 175.26 176.48 2cwd s VAL 121 N -0.71 4.86 0.47 2.63 1.01 0.11 -4.99 120.40 123.78 2cwd s VAL 121 Ca 0.10 0.44 -0.25 0.00 0.00 0.00 0.00 61.98 62.27 2cwd s VAL 121 Cb -0.09 -4.12 -0.08 0.00 0.00 0.00 0.00 36.38 32.09 2cwd s VAL 121 CO 0.01 -0.41 1.40 0.00 0.00 0.00 0.00 175.10 176.10 2cwd s GLN 122 N 2.76 3.60 -0.14 2.72 1.03 -1.26 -4.54 119.66 123.83 2cwd s GLN 122 Ca 0.24 2.35 -0.29 0.00 0.04 0.00 0.00 55.36 57.70 2cwd s GLN 122 Cb -0.14 -2.58 -0.02 0.00 0.03 0.00 0.00 33.01 30.30 2cwd s GLN 122 CO 0.16 -0.86 1.26 0.34 -2.54 0.00 0.00 175.29 173.65 2cwd s ASP 123 N -0.63 6.95 0.00 12.60 -1.08 -1.26 -4.93 116.67 128.33 2cwd s ASP 123 Ca 0.63 1.73 0.26 0.00 -0.52 0.00 0.00 52.55 54.65 2cwd s ASP 123 Cb -0.42 -2.54 0.59 0.00 -1.46 0.00 0.00 42.92 39.08 2cwd s ASP 123 CO 0.54 -0.73 1.47 -0.81 0.52 0.00 0.00 175.17 176.15 2cwd n PRO 124 N 6.36 1.44 -0.33 4.34 -0.04 -1.26 -4.55 135.00 140.96 2cwd n PRO 124 Ca 0.13 -1.01 0.21 0.00 -0.04 0.00 0.00 63.50 62.80 2cwd n PRO 124 Cb 0.45 -1.48 0.43 0.00 -0.04 0.00 0.00 33.50 32.86 2cwd n PRO 124 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 2cwd h TYR 125 N 2.46 0.76 -0.21 0.54 3.20 -1.96 0.37 116.97 122.13 2cwd h TYR 125 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2cwd h TYR 125 Cb 0.65 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.74 2cwd h TYR 125 CO 0.00 -0.20 0.00 0.66 -1.64 0.00 0.00 178.16 176.98 2cwd n TYR 126 N -5.11 0.27 -1.63 -3.82 4.01 -1.26 -4.89 117.16 104.73 2cwd n TYR 126 Ca 0.29 -0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 2cwd n TYR 126 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.94 2cwd n TYR 126 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2cwd n GLY 127 N 1.12 2.67 0.34 2.72 0.00 0.13 -5.15 105.19 107.01 2cwd n GLY 127 Ca 0.15 -1.95 -0.03 0.00 0.00 0.00 0.00 46.02 44.19 2cwd n GLY 127 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2cwd n ASP 128 N 0.00 2.13 -0.32 1.61 5.68 -1.26 -4.99 116.55 119.39 2cwd n ASP 128 Ca 0.00 -1.21 0.07 0.00 -0.50 0.00 0.00 54.79 53.16 2cwd n ASP 128 Cb 0.00 0.03 0.24 0.00 -1.14 0.00 0.00 41.12 40.25 2cwd n ASP 128 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 2cwd h LEU 129 N 0.00 0.71 -1.56 -2.12 5.85 -1.95 -0.98 115.31 115.26 2cwd h LEU 129 Ca -0.04 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 2cwd h LEU 129 Cb 0.12 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2cwd h LEU 129 CO 0.07 0.34 -0.23 -0.08 -0.34 0.00 0.00 178.44 178.20 2cwd h GLU 130 N 0.78 0.00 -0.11 1.25 4.57 -1.99 -0.19 114.58 118.90 2cwd h GLU 130 Ca 0.48 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.50 2cwd h GLU 130 Cb 0.60 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 2cwd h GLU 130 CO -0.32 0.23 -0.64 -0.44 -1.18 0.00 0.00 179.01 176.66 2cwd h ASP 131 N 0.00 0.46 0.18 1.04 3.32 -1.58 -1.63 116.42 118.21 2cwd h ASP 131 Ca -0.00 -0.27 -0.11 0.00 0.02 0.00 0.00 57.03 56.66 2cwd h ASP 131 Cb 0.41 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2cwd h ASP 131 CO 0.03 0.98 -0.40 -0.26 -1.72 0.00 0.00 179.24 177.87 2cwd h PHE 132 N 0.29 0.35 -0.14 4.55 0.04 -0.83 -1.78 116.94 119.42 2cwd h PHE 132 Ca -0.01 -0.09 -0.16 0.00 2.80 0.00 0.00 57.97 60.50 2cwd h PHE 132 Cb 1.18 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 39.25 2cwd h PHE 132 CO 0.04 0.66 -0.60 0.00 -0.60 0.00 0.00 178.31 177.81 2cwd h ARG 133 N 0.25 0.47 -0.58 1.51 3.08 -0.82 -1.35 114.38 116.94 2cwd h ARG 133 Ca 0.02 -0.32 -0.10 0.00 0.07 0.00 0.00 59.98 59.66 2cwd h ARG 133 Cb 0.82 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.89 2cwd h ARG 133 CO 0.06 0.93 -0.01 0.93 -1.07 0.00 0.00 179.97 180.81 2cwd h GLU 134 N 0.35 1.03 -0.48 0.04 5.08 -1.07 -2.23 114.58 117.30 2cwd h GLU 134 Ca -0.00 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 57.98 2cwd h GLU 134 Cb 1.14 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 2cwd h GLU 134 CO 0.11 1.01 0.10 0.28 -1.00 0.00 0.00 179.01 179.51 2cwd h VAL 135 N 0.94 1.24 -0.18 3.13 2.07 -1.21 -2.11 116.25 120.13 2cwd h VAL 135 Ca 0.17 -0.87 0.05 0.00 0.82 0.00 0.00 66.70 66.86 2cwd h VAL 135 Cb 0.56 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 2cwd h VAL 135 CO 0.03 0.31 -0.14 0.22 0.02 0.00 0.00 177.57 178.02 2cwd h TYR 136 N 0.67 -0.34 -0.05 1.57 3.20 -0.93 -0.14 116.97 120.94 2cwd h TYR 136 Ca 0.15 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.93 2cwd h TYR 136 Cb 0.35 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 2cwd h TYR 136 CO 0.02 -0.20 -0.48 -1.49 -1.64 0.00 0.00 178.16 174.37 2cwd h TRP 137 N -0.14 0.15 -0.44 -3.82 4.06 -1.33 0.15 115.95 114.58 2cwd h TRP 137 Ca 0.11 -0.04 -0.07 0.00 2.06 0.00 0.00 58.89 60.95 2cwd h TRP 137 Cb 0.30 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.42 2cwd h TRP 137 CO -0.28 0.58 0.02 1.15 -3.56 0.00 0.00 178.44 176.35 2cwd h THR 138 N 0.10 1.26 -0.45 1.49 2.02 -1.00 -1.51 112.91 114.81 2cwd h THR 138 Ca 0.00 -1.00 -0.14 0.00 0.77 0.00 0.00 66.41 66.05 2cwd h THR 138 Cb 0.88 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 2cwd h THR 138 CO 0.07 0.34 -0.25 -0.07 0.37 0.00 0.00 175.52 175.98 2cwd h LEU 139 N 0.61 0.98 -0.44 2.58 3.38 -0.71 -2.47 115.31 119.23 2cwd h LEU 139 Ca 0.13 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.75 2cwd h LEU 139 Cb 0.46 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2cwd h LEU 139 CO 0.02 1.17 0.21 -0.08 0.09 0.00 0.00 178.44 179.85 2cwd h GLU 140 N 0.81 0.42 -0.61 1.13 4.22 -0.52 -0.41 114.58 119.62 2cwd h GLU 140 Ca 0.10 -0.03 -0.04 0.00 0.08 0.00 0.00 59.36 59.48 2cwd h GLU 140 Cb 0.82 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 2cwd h GLU 140 CO 0.07 0.28 0.24 0.00 -2.18 0.00 0.00 179.01 177.41 2cwd h ALA 141 N 1.24 0.79 -0.60 2.92 0.00 -1.19 -1.81 119.26 120.62 2cwd h ALA 141 Ca 0.19 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2cwd h ALA 141 Cb 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2cwd h ALA 141 CO -0.14 0.41 0.01 0.00 0.00 0.00 0.00 179.25 179.53 2cwd h ALA 142 N 1.09 0.89 -0.02 0.00 0.00 -0.95 -2.87 119.26 117.40 2cwd h ALA 142 Ca 0.20 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 2cwd h ALA 142 Cb 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2cwd h ALA 142 CO -0.02 0.66 -0.71 -0.07 0.00 0.00 0.00 179.25 179.11 2cwd h LEU 143 N 0.95 0.11 -0.77 0.00 3.38 -0.94 -0.87 115.31 117.16 2cwd h LEU 143 Ca 0.17 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 2cwd h LEU 143 Cb 0.53 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2cwd h LEU 143 CO 0.03 0.78 -0.01 1.56 0.09 0.00 0.00 178.44 180.89 2cwd h GLN 144 N 0.06 0.92 -0.30 1.13 1.08 -1.28 -1.10 115.11 115.62 2cwd h GLN 144 Ca -0.01 -0.27 -0.15 0.00 -1.45 0.00 0.00 58.65 56.76 2cwd h GLN 144 Cb 1.25 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.58 2cwd h GLN 144 CO 0.10 0.92 -0.42 0.00 -0.95 0.00 0.00 178.83 178.48 2cwd h ALA 145 N 1.13 0.68 -0.54 3.87 0.00 -1.32 -1.60 119.26 121.49 2cwd h ALA 145 Ca 0.16 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2cwd h ALA 145 Cb 0.51 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2cwd h ALA 145 CO 0.03 0.67 0.32 0.35 0.00 0.00 0.00 179.25 180.61 2cwd h PHE 146 N 0.61 0.72 -0.02 0.00 3.57 -0.75 -2.33 116.94 118.75 2cwd h PHE 146 Ca 0.04 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.41 2cwd h PHE 146 Cb 0.98 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 2cwd h PHE 146 CO 0.05 0.50 -0.59 -0.07 -2.23 0.00 0.00 178.31 175.98 2cwd h LEU 147 N 0.73 0.06 -1.12 0.59 3.38 -1.11 0.20 115.31 118.05 2cwd h LEU 147 Ca 0.19 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2cwd h LEU 147 Cb -0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2cwd h LEU 147 CO -0.04 0.63 0.06 0.44 0.09 0.00 0.00 178.44 179.63 2cwd h ASP 148 N 0.04 0.64 0.40 -0.43 3.32 -0.98 1.76 116.42 121.17 2cwd h ASP 148 Ca -0.01 -0.12 -0.31 0.00 0.02 0.00 0.00 57.03 56.62 2cwd h ASP 148 Cb 1.05 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.39 2cwd h ASP 148 CO 0.08 0.67 -1.76 -0.09 -1.72 0.00 0.00 179.24 176.42 2cwd h ARG 149 N 0.66 0.09 0.00 3.56 2.43 -1.22 -3.38 114.38 116.52 2cwd h ARG 149 Ca 0.14 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2cwd h ARG 149 Cb 0.32 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2cwd h ARG 149 CO 0.00 0.74 -1.91 0.72 -1.51 0.00 0.00 179.97 178.02 2cwd n HIS 150 N -3.20 0.00 1.40 2.20 8.25 0.69 -5.11 115.22 119.46 2cwd n HIS 150 Ca -0.20 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.39 2cwd n HIS 150 Cb 1.05 -0.47 0.44 0.00 1.12 0.00 0.00 29.99 32.13 2cwd n HIS 150 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39