#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 1.22 0.36 -0.67 0.52 -1.26 -5.14 118.95 113.99 2cwd s ARG 3 Ca 0.00 -0.99 -0.26 0.00 -0.52 0.00 0.00 55.73 53.97 2cwd s ARG 3 Cb 0.00 -1.37 -0.09 0.00 0.52 0.00 0.00 34.95 34.01 2cwd s ARG 3 CO 0.00 0.34 1.09 -2.14 0.02 0.00 0.00 175.30 174.61 2cwd s PRO 4 N -1.42 4.27 -0.06 3.54 0.02 -1.26 -4.99 135.00 135.10 2cwd s PRO 4 Ca 0.06 1.67 -0.30 0.00 0.02 0.00 0.00 61.00 62.45 2cwd s PRO 4 Cb -0.09 -2.76 -0.02 0.00 0.02 0.00 0.00 34.50 31.65 2cwd s PRO 4 CO 0.02 -0.08 1.05 0.08 -0.33 0.00 0.00 177.00 177.74 2cwd s VAL 5 N -1.46 4.66 -0.25 3.83 1.01 0.18 -4.80 120.40 123.58 2cwd s VAL 5 Ca 0.54 1.93 -0.11 0.00 0.00 0.00 0.00 61.98 64.34 2cwd s VAL 5 Cb -0.27 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 31.82 2cwd s VAL 5 CO 0.34 0.05 0.16 -0.13 0.00 0.00 0.00 175.10 175.52 2cwd s ARG 6 N 1.74 4.03 -0.13 2.72 0.52 -1.26 -1.11 118.95 125.46 2cwd s ARG 6 Ca 0.51 -0.29 0.00 0.00 -0.52 0.00 0.00 55.73 55.44 2cwd s ARG 6 Cb -0.21 -3.56 -0.01 0.00 0.52 0.00 0.00 34.95 31.69 2cwd s ARG 6 CO 0.22 -0.00 -0.14 0.08 0.02 0.00 0.00 175.30 175.48 2cwd s VAL 7 N 1.23 3.00 -0.14 3.52 1.01 0.26 -1.08 120.40 128.21 2cwd s VAL 7 Ca 0.07 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.39 2cwd s VAL 7 Cb -0.14 -2.25 0.02 0.00 0.00 0.00 0.00 36.38 34.00 2cwd s VAL 7 CO 0.06 0.53 -0.17 -0.22 0.00 0.00 0.00 175.10 175.29 2cwd s LEU 8 N 0.33 1.88 -0.08 3.92 2.96 -0.15 -2.17 118.68 125.37 2cwd s LEU 8 Ca -0.11 -0.53 -0.12 0.00 -0.22 0.00 0.00 54.13 53.15 2cwd s LEU 8 Cb -0.16 -1.27 -0.05 0.00 0.50 0.00 0.00 46.19 45.21 2cwd s LEU 8 CO 0.06 0.01 0.30 -0.36 -1.32 0.00 0.00 176.35 175.04 2cwd s PHE 9 N 1.14 3.61 -0.00 5.38 0.08 -0.71 -0.24 117.98 127.23 2cwd s PHE 9 Ca -0.01 0.74 0.02 0.00 0.12 0.00 0.00 56.93 57.80 2cwd s PHE 9 Cb -0.14 -2.21 -0.01 0.00 -0.57 0.00 0.00 43.02 40.09 2cwd s PHE 9 CO -0.06 0.54 -0.07 0.08 -0.10 0.00 0.00 175.22 175.61 2cwd s VAL 10 N -0.57 0.52 0.00 -0.44 1.01 -0.04 -1.37 120.40 119.52 2cwd s VAL 10 Ca 0.19 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.89 2cwd s VAL 10 Cb -0.14 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.80 2cwd s VAL 10 CO 0.08 0.15 0.00 0.00 0.00 0.00 0.00 175.10 175.33 2cwd h LEU 12 N 0.00 -0.16 0.00 0.00 5.85 -1.93 -1.01 115.31 118.05 2cwd h LEU 12 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2cwd h LEU 12 Cb 0.00 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2cwd h LEU 12 CO 0.00 0.33 -0.90 0.61 -0.34 0.00 0.00 178.44 178.13 2cwd n GLY 13 N 1.29 -1.41 3.15 3.75 0.00 -1.26 -1.36 105.19 109.35 2cwd n GLY 13 Ca -0.03 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.40 -5.79 0.00 1.61 4.05 -1.26 -4.56 115.26 106.90 2cwd n ASN 14 Ca 0.01 -0.38 0.00 0.00 0.45 0.00 0.00 54.58 54.66 2cwd n ASN 14 Cb 0.50 -4.49 0.00 0.00 1.23 0.00 0.00 39.78 37.02 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 -4.58 0.00 0.00 -1.44 -5.35 -1.26 -4.43 119.36 102.30 2cwd n ILE 15 Ca -0.04 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 2cwd n ILE 15 Cb 0.58 0.94 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 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 -0.58 -0.74 0.00 3.08 -1.96 -2.83 114.38 111.34 2cwd h ARG 17 Ca 0.00 0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 2cwd h ARG 17 Cb 0.00 0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 2cwd h ARG 17 CO 0.00 -0.35 0.38 0.66 -1.07 0.00 0.00 179.97 179.60 2cwd h SER 18 N -0.68 0.94 0.47 7.04 4.64 -1.90 -0.48 113.55 123.57 2cwd h SER 18 Ca -0.06 -0.09 -0.12 0.00 -0.47 0.00 0.00 61.79 61.05 2cwd h SER 18 Cb 0.50 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 2cwd h SER 18 CO 0.10 0.77 -0.54 1.55 -0.87 0.00 0.00 176.83 177.84 2cwd h PRO 19 N 1.05 0.08 -0.27 4.77 0.13 -1.84 -1.14 132.00 134.78 2cwd h PRO 19 Ca 0.26 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 65.22 2cwd h PRO 19 Cb 0.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.18 2cwd h PRO 19 CO -0.04 0.60 -0.35 0.52 -0.23 0.00 0.00 178.00 178.50 2cwd h MET 20 N 0.06 0.58 -0.24 0.86 2.86 -1.17 -0.23 114.93 117.66 2cwd h MET 20 Ca -0.00 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 2cwd h MET 20 Cb 0.98 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 2cwd h MET 20 CO 0.07 0.85 0.06 0.00 1.06 0.00 0.00 176.91 178.96 2cwd h ALA 21 N 1.13 0.31 -0.58 6.32 0.00 -0.73 -1.81 119.26 123.90 2cwd h ALA 21 Ca 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2cwd h ALA 21 Cb 0.83 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2cwd h ALA 21 CO 0.07 -0.05 0.33 1.49 0.00 0.00 0.00 179.25 181.09 2cwd h GLU 22 N 0.21 0.80 -0.17 0.00 4.81 -0.98 -1.02 114.58 118.23 2cwd h GLU 22 Ca 0.07 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2cwd h GLU 22 Cb 0.26 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2cwd h GLU 22 CO -0.00 0.61 0.07 0.78 -0.73 0.00 0.00 179.01 179.74 2cwd h GLY 23 N 0.78 0.22 1.00 1.92 0.00 -0.88 -0.32 103.07 105.80 2cwd h GLY 23 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2cwd h GLY 23 CO -0.03 0.04 0.26 -2.22 0.00 0.00 0.00 176.54 174.59 2cwd h ILE 24 N 0.17 1.10 -0.49 2.60 2.04 -1.20 -1.72 117.51 120.00 2cwd h ILE 24 Ca 0.07 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 65.79 2cwd h ILE 24 Cb 0.03 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 2cwd h ILE 24 CO -0.06 0.10 0.26 0.15 0.00 0.00 0.00 178.15 178.60 2cwd h PHE 25 N 0.53 0.48 -0.72 1.37 3.57 -0.88 0.33 116.94 121.63 2cwd h PHE 25 Ca 0.15 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 2cwd h PHE 25 Cb -0.06 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.50 2cwd h PHE 25 CO -0.05 0.25 0.44 0.00 -2.23 0.00 0.00 178.31 176.72 2cwd h ARG 26 N 0.51 0.97 -0.20 1.11 3.08 -0.76 -0.16 114.38 118.94 2cwd h ARG 26 Ca 0.21 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 2cwd h ARG 26 Cb 0.10 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 2cwd h ARG 26 CO -0.14 0.68 -0.06 -0.22 -1.07 0.00 0.00 179.97 179.16 2cwd h LYS 27 N 0.99 0.38 -0.52 0.04 3.64 -0.37 -2.70 116.57 118.04 2cwd h LYS 27 Ca 0.26 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 2cwd h LYS 27 Cb -0.05 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 2cwd h LYS 27 CO -0.05 0.65 0.12 -0.07 -2.27 0.00 0.00 179.45 177.83 2cwd h LEU 28 N 0.10 0.74 -0.94 5.20 3.38 -0.56 -2.17 115.31 121.06 2cwd h LEU 28 Ca 0.05 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 2cwd h LEU 28 Cb 0.51 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2cwd h LEU 28 CO 0.02 0.73 0.06 -0.07 0.09 0.00 0.00 178.44 179.27 2cwd h LEU 29 N 0.77 0.79 0.04 1.67 3.38 -0.96 -1.02 115.31 119.97 2cwd h LEU 29 Ca 0.17 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2cwd h LEU 29 Cb 0.29 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2cwd h LEU 29 CO -0.00 0.82 -0.02 0.11 0.09 0.00 0.00 178.44 179.44 2cwd h LYS 30 N 0.79 -0.06 -0.30 1.13 1.57 -1.11 0.70 116.57 119.29 2cwd h LYS 30 Ca 0.16 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 2cwd h LYS 30 Cb 0.39 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 2cwd h LYS 30 CO 0.01 0.32 -0.12 0.93 -0.57 0.00 0.00 179.45 180.03 2cwd h GLU 31 N -0.45 0.50 -0.00 3.15 5.08 -1.34 -2.44 114.58 119.07 2cwd h GLU 31 Ca -0.01 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2cwd h GLU 31 Cb 0.41 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2cwd h GLU 31 CO 0.01 0.62 -0.16 0.54 -1.00 0.00 0.00 179.01 179.02 2cwd n ARG 32 N -4.21 0.59 -3.25 2.33 1.74 -0.39 -4.94 116.66 108.53 2cwd n ARG 32 Ca 0.01 -0.23 -0.16 0.00 -0.77 0.00 0.00 57.85 56.69 2cwd n ARG 32 Cb 0.32 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.33 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 1.33 -0.19 0.27 -0.13 0.00 -0.68 -4.94 105.19 100.85 2cwd n GLY 33 Ca 0.13 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.76 2.64 0.29 0.99 4.77 0.15 -4.74 117.00 117.35 2cwd n LEU 34 Ca -0.08 -3.21 0.19 0.00 -0.03 0.00 0.00 56.01 52.89 2cwd n LEU 34 Cb 0.58 -0.46 0.92 0.00 -2.33 0.00 0.00 43.42 42.13 2cwd n LEU 34 CO 0.49 0.81 1.07 -0.33 -1.33 0.00 0.00 177.39 178.10 2cwd h GLU 35 N 0.38 0.00 -0.00 3.23 5.08 -1.87 -1.45 114.58 119.95 2cwd h GLU 35 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2cwd h GLU 35 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2cwd h GLU 35 CO 0.04 0.00 -0.45 -0.40 -1.00 0.00 0.00 179.01 177.20 2cwd n ASP 36 N -2.98 0.75 -0.00 1.42 5.75 -1.26 -4.16 116.55 116.07 2cwd n ASP 36 Ca -0.01 -0.55 0.07 0.00 -0.01 0.00 0.00 54.79 54.29 2cwd n ASP 36 Cb 0.17 0.27 -0.09 0.00 -1.03 0.00 0.00 41.12 40.44 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 -1.17 1.73 -4.01 0.11 1.74 -0.56 -4.62 116.66 109.88 2cwd n ARG 37 Ca 0.08 -0.03 -0.09 0.00 -0.77 0.00 0.00 57.85 57.04 2cwd n ARG 37 Cb 0.34 -1.24 -0.11 0.00 -1.02 0.00 0.00 32.46 30.44 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 -2.55 0.36 0.04 -1.55 0.08 -1.12 -0.64 117.98 112.59 2cwd s PHE 38 Ca 0.03 -0.65 0.05 0.00 0.12 0.00 0.00 56.93 56.48 2cwd s PHE 38 Cb 0.11 -0.25 -0.02 0.00 -0.57 0.00 0.00 43.02 42.29 2cwd s PHE 38 CO 0.62 -0.22 -0.14 -1.21 -0.10 0.00 0.00 175.22 174.17 2cwd s GLU 39 N -2.02 0.92 0.07 0.44 2.02 -0.27 -4.81 118.70 115.05 2cwd s GLU 39 Ca -0.10 -0.73 -0.04 0.00 0.02 0.00 0.00 54.97 54.11 2cwd s GLU 39 Cb -0.06 -0.91 -0.02 0.00 0.10 0.00 0.00 34.13 33.23 2cwd s GLU 39 CO -0.03 0.23 0.06 0.54 0.02 0.00 0.00 175.26 176.08 2cwd s VAL 40 N -0.83 0.19 0.19 2.63 0.11 -1.26 -0.58 120.40 120.85 2cwd s VAL 40 Ca 0.01 -1.55 -0.23 0.00 -2.93 0.00 0.00 61.98 57.29 2cwd s VAL 40 Cb -0.08 -1.44 0.07 0.00 -1.53 0.00 0.00 36.38 33.40 2cwd s VAL 40 CO 0.01 -0.85 0.99 -0.62 -3.33 0.00 0.00 175.10 171.30 2cwd s ASP 41 N -2.90 -0.06 0.02 3.54 2.15 -0.92 -4.98 116.67 113.53 2cwd s ASP 41 Ca 0.06 -0.62 -0.04 0.00 0.43 0.00 0.00 52.55 52.39 2cwd s ASP 41 Cb 0.07 0.53 -0.01 0.00 -0.30 0.00 0.00 42.92 43.20 2cwd s ASP 41 CO -0.10 -1.02 0.05 -0.94 -0.17 0.00 0.00 175.17 172.99 2cwd s SER 42 N -3.20 0.19 0.15 -0.34 1.04 -1.26 -1.73 113.70 108.54 2cwd s SER 42 Ca 0.18 -0.48 -0.16 0.00 0.48 0.00 0.00 55.95 55.97 2cwd s SER 42 Cb -0.02 0.18 0.03 0.00 0.10 0.00 0.00 66.02 66.30 2cwd s SER 42 CO 0.05 -0.41 0.43 0.00 0.98 0.00 0.00 173.24 174.28 2cwd s ALA 43 N -2.03 -0.86 0.16 5.32 0.00 -0.47 -4.68 121.76 119.21 2cwd s ALA 43 Ca -0.10 -0.16 0.09 0.00 0.00 0.00 0.00 51.96 51.79 2cwd s ALA 43 Cb -0.05 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 2cwd s ALA 43 CO -0.02 -0.69 -0.15 0.20 0.00 0.00 0.00 175.76 175.10 2cwd s GLY 44 N -2.84 1.72 0.32 0.00 0.00 -0.10 -2.86 107.32 103.56 2cwd s GLY 44 Ca 0.06 -1.47 0.14 0.00 0.00 0.00 0.00 44.72 43.46 2cwd s GLY 44 CO -0.08 -1.47 1.66 -0.91 0.00 0.00 0.00 173.10 172.29 2cwd h THR 45 N 3.08 1.16 -2.28 0.90 1.35 -0.80 0.11 112.91 116.43 2cwd h THR 45 Ca -0.48 -1.87 -0.44 0.00 -0.55 0.00 0.00 66.41 63.08 2cwd h THR 45 Cb 1.19 2.07 0.03 0.00 -1.73 0.00 0.00 68.15 69.71 2cwd h THR 45 CO 0.51 0.50 -0.13 -0.83 -0.25 0.00 0.00 175.52 175.31 2cwd s GLY 46 N -4.42 1.75 0.00 5.82 0.00 -0.46 -4.73 107.32 105.27 2cwd s GLY 46 Ca -0.00 -1.34 0.08 0.00 0.00 0.00 0.00 44.72 43.46 2cwd s GLY 46 CO 0.73 -1.13 0.94 0.00 0.00 0.00 0.00 173.10 173.64 2cwd n ALA 47 N -2.09 2.32 -0.33 3.20 0.00 -1.26 -4.56 120.51 117.80 2cwd n ALA 47 Ca 0.05 -0.80 0.02 0.00 0.00 0.00 0.00 53.44 52.71 2cwd n ALA 47 Cb 0.59 -0.28 0.20 0.00 0.00 0.00 0.00 19.45 19.96 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 1.49 1.12 -0.53 0.00 2.91 -1.92 -3.07 115.95 115.94 2cwd h TRP 48 Ca 0.00 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.05 2cwd h TRP 48 Cb 0.48 -0.37 0.00 0.00 -0.51 0.00 0.00 29.16 28.76 2cwd h TRP 48 CO 0.07 0.61 0.00 0.72 -1.03 0.00 0.00 178.44 178.81 2cwd n HIS 49 N -4.47 1.07 -1.65 2.65 8.25 -1.26 -5.02 115.22 114.79 2cwd n HIS 49 Ca 0.14 -0.60 -0.47 0.00 -0.26 0.00 0.00 57.72 56.53 2cwd n HIS 49 Cb 0.15 -0.16 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 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 0.83 0.61 -0.11 1.59 0.31 -1.16 -1.63 118.33 118.77 2cwd n VAL 50 Ca 0.21 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 2cwd n VAL 50 Cb 0.73 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.35 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 2.47 1.70 3.90 2.92 0.00 -0.01 -4.97 105.19 111.20 2cwd n GLY 51 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.37 3.55 0.78 1.61 2.02 -0.65 -4.73 118.70 120.91 2cwd s GLU 52 Ca 0.00 0.23 -0.09 0.00 0.02 0.00 0.00 54.97 55.13 2cwd s GLU 52 Cb 0.00 -2.36 0.10 0.00 0.10 0.00 0.00 34.13 31.96 2cwd s GLU 52 CO 0.00 -0.22 1.11 -1.25 0.02 0.00 0.00 175.26 174.92 2cwd s PRO 53 N -4.73 1.80 0.98 0.39 0.04 -1.26 -0.71 135.00 131.51 2cwd s PRO 53 Ca 0.48 -0.29 -0.12 0.00 0.04 0.00 0.00 61.00 61.11 2cwd s PRO 53 Cb -0.10 -2.08 0.18 0.00 0.04 0.00 0.00 34.50 32.54 2cwd s PRO 53 CO 0.45 -1.56 1.08 0.00 0.04 0.00 0.00 177.00 177.01 2cwd s MET 54 N -5.43 0.54 0.47 4.56 0.23 -1.26 -4.79 119.30 113.62 2cwd s MET 54 Ca 0.64 0.74 -0.24 0.00 -1.03 0.00 0.00 55.69 55.79 2cwd s MET 54 Cb -0.09 -1.73 -0.07 0.00 -1.53 0.00 0.00 34.83 31.40 2cwd s MET 54 CO 0.47 -2.71 1.40 0.34 -2.03 0.00 0.00 175.02 172.49 2cwd s ASP 55 N -3.24 5.76 0.39 -1.18 -1.08 0.11 -4.75 116.67 112.67 2cwd s ASP 55 Ca 0.65 2.86 0.13 0.00 -0.52 0.00 0.00 52.55 55.67 2cwd s ASP 55 Cb -0.20 -2.65 0.95 0.00 -1.46 0.00 0.00 42.92 39.57 2cwd s ASP 55 CO 0.59 -1.25 1.89 -0.65 0.52 0.00 0.00 175.17 176.27 2cwd h PRO 56 N 2.14 0.52 -0.03 4.34 0.11 -1.92 0.16 132.00 137.32 2cwd h PRO 56 Ca -0.51 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.43 2cwd h PRO 56 Cb 1.27 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2cwd h PRO 56 CO 0.60 0.35 -0.61 0.00 -0.21 0.00 0.00 178.00 178.13 2cwd h ARG 57 N 0.54 0.11 -0.09 1.05 3.08 -1.96 -0.66 114.38 116.45 2cwd h ARG 57 Ca 0.42 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 60.32 2cwd h ARG 57 Cb 0.83 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.89 2cwd h ARG 57 CO -0.16 0.69 -0.22 0.00 -1.07 0.00 0.00 179.97 179.20 2cwd h ALA 58 N 1.30 0.15 -0.35 0.04 0.00 -1.11 -2.30 119.26 116.99 2cwd h ALA 58 Ca -0.01 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2cwd h ALA 58 Cb 1.09 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2cwd h ALA 58 CO 0.09 0.12 0.21 -0.09 0.00 0.00 0.00 179.25 179.57 2cwd h ARG 59 N -0.14 0.47 -0.52 0.00 2.43 -0.88 -1.41 114.38 114.33 2cwd h ARG 59 Ca -0.00 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2cwd h ARG 59 Cb 0.82 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.23 2cwd h ARG 59 CO 0.05 0.35 0.30 -0.09 -1.51 0.00 0.00 179.97 179.08 2cwd h ARG 60 N 0.45 0.58 -0.46 0.20 2.43 -1.13 -0.48 114.38 115.98 2cwd h ARG 60 Ca 0.13 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 2cwd h ARG 60 Cb 0.00 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 2cwd h ARG 60 CO -0.02 0.39 -0.07 0.28 -1.51 0.00 0.00 179.97 179.03 2cwd h VAL 61 N 0.60 1.27 -0.81 0.20 2.07 -1.23 -1.52 116.25 116.84 2cwd h VAL 61 Ca 0.21 -1.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.52 2cwd h VAL 61 Cb 0.04 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 2cwd h VAL 61 CO -0.11 0.40 0.34 -0.07 0.02 0.00 0.00 177.57 178.15 2cwd h LEU 62 N 0.71 1.10 -0.82 2.57 3.38 -1.01 -2.48 115.31 118.76 2cwd h LEU 62 Ca 0.12 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2cwd h LEU 62 Cb 0.60 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2cwd h LEU 62 CO 0.04 0.97 0.27 -0.33 0.09 0.00 0.00 178.44 179.48 2cwd h GLU 63 N 1.17 1.15 -0.14 1.13 5.08 -0.88 0.43 114.58 122.51 2cwd h GLU 63 Ca 0.27 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2cwd h GLU 63 Cb 0.20 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2cwd h GLU 63 CO -0.02 0.95 0.10 0.93 -1.00 0.00 0.00 179.01 179.97 2cwd h GLU 64 N 1.12 0.14 -0.06 2.33 5.08 -0.84 -1.49 114.58 120.86 2cwd h GLU 64 Ca 0.25 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2cwd h GLU 64 Cb 0.25 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2cwd h GLU 64 CO -0.02 0.09 0.00 0.39 -1.00 0.00 0.00 179.01 178.48 2cwd n GLU 65 N -4.51 1.94 -3.23 2.33 -0.58 -0.80 -4.98 120.64 110.80 2cwd n GLU 65 Ca -0.00 -1.78 -0.16 0.00 -0.42 0.00 0.00 57.16 54.79 2cwd n GLU 65 Cb 0.12 -1.41 0.06 0.00 -0.57 0.00 0.00 31.44 29.64 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 1.19 -0.11 0.14 0.62 0.00 0.91 -4.93 105.19 103.01 2cwd n GLY 66 Ca 0.13 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.20 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 -4.10 2.20 -1.72 4.61 0.00 0.11 -4.96 120.51 116.66 2cwd n ALA 67 Ca -0.03 -2.30 -0.32 0.00 0.00 0.00 0.00 53.44 50.78 2cwd n ALA 67 Cb 0.56 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.34 3.17 -0.08 0.00 5.04 -1.23 -4.38 117.35 117.53 2cwd s TYR 68 Ca 0.26 1.48 -0.31 0.00 -2.44 0.00 0.00 57.07 56.06 2cwd s TYR 68 Cb 0.22 -2.92 0.08 0.00 0.35 0.00 0.00 41.96 39.70 2cwd s TYR 68 CO 0.02 -0.88 0.74 -0.59 -1.34 0.00 0.00 175.55 173.50 2cwd s PHE 69 N -2.59 -0.62 -0.27 4.97 -0.12 -1.26 -5.04 117.98 113.06 2cwd s PHE 69 Ca 0.61 1.08 -0.22 0.00 -0.05 0.00 0.00 56.93 58.35 2cwd s PHE 69 Cb -0.14 0.41 -0.24 0.00 -0.63 0.00 0.00 43.02 42.42 2cwd s PHE 69 CO 0.38 -0.55 1.63 -2.30 -0.05 0.00 0.00 175.22 174.32 2cwd n PRO 70 N 0.97 0.54 -2.31 1.99 -0.02 -1.26 -4.93 135.00 129.98 2cwd n PRO 70 Ca -0.17 -1.18 -0.37 0.00 -2.02 0.00 0.00 63.50 59.76 2cwd n PRO 70 Cb 0.57 -2.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.50 2cwd n PRO 70 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2cwd s HIS 71 N 5.92 2.95 -0.09 6.00 2.46 -1.26 -5.04 115.29 126.23 2cwd s HIS 71 Ca 0.54 1.55 -0.02 0.00 0.47 0.00 0.00 55.06 57.60 2cwd s HIS 71 Cb 0.12 -3.33 0.03 0.00 -0.13 0.00 0.00 32.58 29.27 2cwd s HIS 71 CO 0.21 -1.34 0.02 0.08 -2.47 0.00 0.00 174.74 171.24 2cwd s VAL 72 N -1.56 0.26 0.37 0.89 1.01 -1.26 -4.26 120.40 115.85 2cwd s VAL 72 Ca 0.62 0.09 -0.28 0.00 0.00 0.00 0.00 61.98 62.41 2cwd s VAL 72 Cb -0.27 -0.52 -0.11 0.00 0.00 0.00 0.00 36.38 35.48 2cwd s VAL 72 CO 0.33 0.15 1.50 0.00 0.00 0.00 0.00 175.10 177.09 2cwd s ALA 73 N 2.01 3.59 0.12 5.51 0.00 0.12 -4.85 121.76 128.26 2cwd s ALA 73 Ca 0.04 1.58 -0.10 0.00 0.00 0.00 0.00 51.96 53.48 2cwd s ALA 73 Cb -0.13 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2cwd s ALA 73 CO -0.05 -1.06 0.26 -0.98 0.00 0.00 0.00 175.76 173.93 2cwd s ARG 74 N -1.94 0.99 -0.04 0.00 1.70 -1.26 -0.83 118.95 117.57 2cwd s ARG 74 Ca 0.54 -1.00 -0.08 0.00 -0.47 0.00 0.00 55.73 54.72 2cwd s ARG 74 Cb -0.47 0.38 -0.05 0.00 -0.57 0.00 0.00 34.95 34.24 2cwd s ARG 74 CO 0.62 -0.35 0.25 0.50 -1.08 0.00 0.00 175.30 175.24 2cwd s ARG 75 N -3.89 3.60 0.31 3.89 3.52 -1.26 -0.93 118.95 124.19 2cwd s ARG 75 Ca 0.09 0.01 -0.29 0.00 -0.13 0.00 0.00 55.73 55.40 2cwd s ARG 75 Cb 0.04 -3.15 -0.11 0.00 -1.56 0.00 0.00 34.95 30.17 2cwd s ARG 75 CO -0.07 0.70 1.56 -1.17 -0.81 0.00 0.00 175.30 175.51 2cwd s LEU 76 N -1.37 4.34 0.29 -0.88 2.96 0.39 -4.78 118.68 119.62 2cwd s LEU 76 Ca 0.22 2.96 0.09 0.00 -0.22 0.00 0.00 54.13 57.18 2cwd s LEU 76 Cb -0.13 -3.64 -0.06 0.00 0.50 0.00 0.00 46.19 42.86 2cwd s LEU 76 CO 0.11 -0.89 -0.12 0.42 -1.32 0.00 0.00 176.35 174.55 2cwd s THR 77 N -0.28 2.07 0.46 3.68 -4.23 -1.26 -4.97 115.64 111.10 2cwd s THR 77 Ca 0.60 -2.24 0.13 0.00 -1.18 0.00 0.00 61.69 59.00 2cwd s THR 77 Cb -0.47 -2.40 0.23 0.00 1.34 0.00 0.00 72.50 71.20 2cwd s THR 77 CO 0.51 -0.35 2.06 -0.09 -0.54 0.00 0.00 174.62 176.21 2cwd h ARG 78 N 2.25 0.15 -0.86 3.99 2.43 -1.97 -0.98 114.38 119.38 2cwd h ARG 78 Ca -0.40 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 2cwd h ARG 78 Cb 1.24 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.72 2cwd h ARG 78 CO 0.65 0.17 0.55 0.93 -1.51 0.00 0.00 179.97 180.76 2cwd h GLU 79 N 0.15 1.15 -0.44 0.20 5.08 -2.00 -2.83 114.58 115.89 2cwd h GLU 79 Ca 0.04 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2cwd h GLU 79 Cb 0.12 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2cwd h GLU 79 CO 0.00 0.78 0.12 -0.44 -1.00 0.00 0.00 179.01 178.47 2cwd h ASP 80 N 1.17 0.65 -0.75 1.42 3.32 -1.58 -1.19 116.42 119.47 2cwd h ASP 80 Ca 0.31 -0.22 0.06 0.00 0.02 0.00 0.00 57.03 57.20 2cwd h ASP 80 Cb -0.10 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.24 2cwd h ASP 80 CO -0.06 0.70 0.49 0.58 -1.72 0.00 0.00 179.24 179.23 2cwd h VAL 81 N 0.57 1.04 0.23 -1.35 2.07 -1.28 -1.01 116.25 116.53 2cwd h VAL 81 Ca 0.14 -0.28 -0.30 0.00 0.82 0.00 0.00 66.70 67.08 2cwd h VAL 81 Cb 0.30 0.15 0.03 0.00 -1.52 0.00 0.00 31.29 30.26 2cwd h VAL 81 CO -0.00 0.15 -1.32 0.25 0.02 0.00 0.00 177.57 176.66 2cwd h LEU 82 N 0.81 0.75 -1.10 2.57 5.85 -1.25 -3.36 115.31 119.58 2cwd h LEU 82 Ca 0.32 -0.93 -0.08 0.00 0.84 0.00 0.00 57.88 58.03 2cwd h LEU 82 Cb 0.22 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2cwd h LEU 82 CO -0.11 1.64 -0.39 0.00 -0.34 0.00 0.00 178.44 179.24 2cwd h ALA 83 N 0.13 1.13 -2.82 1.25 0.00 -0.84 -3.45 119.26 114.66 2cwd h ALA 83 Ca -0.23 -0.35 -0.61 0.00 0.00 0.00 0.00 54.91 53.72 2cwd h ALA 83 Cb 2.04 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.73 2cwd h ALA 83 CO 0.24 0.49 -0.42 0.71 0.00 0.00 0.00 179.25 180.27 2cwd s TYR 84 N -3.83 3.51 -0.18 0.00 2.02 -0.42 -4.89 117.35 113.57 2cwd s TYR 84 Ca -0.01 0.39 -0.20 0.00 -0.37 0.00 0.00 57.07 56.88 2cwd s TYR 84 Cb 0.12 -1.87 -0.22 0.00 -0.40 0.00 0.00 41.96 39.60 2cwd s TYR 84 CO 0.70 0.54 0.33 -0.44 -1.57 0.00 0.00 175.55 175.11 2cwd h ASP 85 N 3.09 0.08 -3.39 2.29 3.32 -1.42 -3.46 116.42 116.93 2cwd h ASP 85 Ca -0.46 -0.65 -0.65 0.00 0.02 0.00 0.00 57.03 55.29 2cwd h ASP 85 Cb 1.17 -0.03 -0.23 0.00 0.22 0.00 0.00 39.33 40.46 2cwd h ASP 85 CO 0.74 1.48 -0.71 -1.00 -1.72 0.00 0.00 179.24 178.03 2cwd s HIS 86 N -2.38 2.93 -0.32 4.55 3.76 -0.59 -4.80 115.29 118.44 2cwd s HIS 86 Ca -0.26 -0.36 0.01 0.00 -0.15 0.00 0.00 55.06 54.29 2cwd s HIS 86 Cb 0.05 -1.87 0.08 0.00 1.11 0.00 0.00 32.58 31.95 2cwd s HIS 86 CO 0.64 -0.03 0.03 0.42 -0.85 0.00 0.00 174.74 174.95 2cwd s ILE 87 N 0.13 2.68 -0.39 0.60 1.01 -0.45 -0.98 121.20 123.80 2cwd s ILE 87 Ca -0.03 -1.84 -0.13 0.00 0.00 0.00 0.00 60.65 58.65 2cwd s ILE 87 Cb -0.14 -2.72 0.02 0.00 0.01 0.00 0.00 42.46 39.62 2cwd s ILE 87 CO 0.04 -0.34 0.26 -0.76 0.00 0.00 0.00 174.94 174.13 2cwd s LEU 88 N 1.10 4.90 0.30 2.97 1.43 0.67 -1.38 118.68 128.67 2cwd s LEU 88 Ca 0.01 -0.89 -0.02 0.00 -1.03 0.00 0.00 54.13 52.21 2cwd s LEU 88 Cb -0.20 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 2cwd s LEU 88 CO -0.04 -0.40 0.53 0.68 0.23 0.00 0.00 176.35 177.34 2cwd s VAL 89 N 1.64 5.09 -0.09 -1.59 -7.23 -0.67 -0.86 120.40 116.69 2cwd s VAL 89 Ca 0.04 -0.25 -0.26 0.00 -1.81 0.00 0.00 61.98 59.69 2cwd s VAL 89 Cb -0.19 -3.79 -0.26 0.00 0.56 0.00 0.00 36.38 32.70 2cwd s VAL 89 CO 0.09 -0.42 0.90 0.24 -0.31 0.00 0.00 175.10 175.60 2cwd h MET 90 N 1.28 0.10 0.00 4.82 0.00 -1.75 0.57 114.93 119.95 2cwd h MET 90 Ca -0.49 -0.13 -0.46 0.00 0.00 0.00 0.00 59.70 58.62 2cwd h MET 90 Cb 1.20 0.05 -0.11 0.00 0.00 0.00 0.00 31.60 32.74 2cwd h MET 90 CO 0.64 0.98 -0.41 -0.40 0.00 0.00 0.00 176.91 177.72 2cwd n ASP 91 N -4.52 0.51 0.24 1.22 5.68 -1.26 -1.63 116.55 116.79 2cwd n ASP 91 Ca -0.10 -2.92 0.13 0.00 -0.50 0.00 0.00 54.79 51.39 2cwd n ASP 91 Cb 0.53 1.12 0.44 0.00 -1.14 0.00 0.00 41.12 42.06 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 -0.52 0.11 3.08 -1.94 -2.46 114.38 112.65 2cwd h ARG 92 Ca -0.25 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.68 2cwd h ARG 92 Cb 1.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 2cwd h ARG 92 CO 0.39 0.10 -0.15 0.93 -1.07 0.00 0.00 179.97 180.18 2cwd h GLU 93 N 0.00 1.02 -0.44 0.04 5.08 -1.99 -1.44 114.58 116.85 2cwd h GLU 93 Ca -0.00 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 57.92 2cwd h GLU 93 Cb 0.77 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 2cwd h GLU 93 CO 0.01 1.08 0.12 -0.91 -1.00 0.00 0.00 179.01 178.32 2cwd h ASN 94 N 0.90 0.66 0.17 1.42 -0.26 -1.89 -0.74 115.58 115.83 2cwd h ASN 94 Ca 0.13 -0.22 0.01 0.00 -0.56 0.00 0.00 56.30 55.65 2cwd h ASN 94 Cb 0.72 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.79 2cwd h ASN 94 CO 0.06 0.71 -0.18 0.25 -1.06 0.00 0.00 177.43 177.20 2cwd h LEU 95 N 0.58 -0.49 -0.76 1.61 5.85 -1.29 0.14 115.31 120.95 2cwd h LEU 95 Ca 0.14 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2cwd h LEU 95 Cb 0.30 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 2cwd h LEU 95 CO -0.00 -0.27 0.48 -0.33 -0.34 0.00 0.00 178.44 177.98 2cwd h GLU 96 N -0.39 1.01 -0.61 1.25 4.39 -1.16 -1.38 114.58 117.70 2cwd h GLU 96 Ca 0.01 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 2cwd h GLU 96 Cb 0.38 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 2cwd h GLU 96 CO -0.06 0.69 0.20 1.49 -1.16 0.00 0.00 179.01 180.17 2cwd h GLU 97 N 1.03 0.94 -0.48 2.33 4.57 -0.85 0.19 114.58 122.31 2cwd h GLU 97 Ca 0.28 -0.20 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 2cwd h GLU 97 Cb -0.08 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.35 2cwd h GLU 97 CO -0.06 0.83 0.23 0.28 -1.18 0.00 0.00 179.01 179.11 2cwd h VAL 98 N 0.86 1.19 -0.06 0.32 2.07 -0.65 -1.91 116.25 118.06 2cwd h VAL 98 Ca 0.20 -0.54 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 2cwd h VAL 98 Cb 0.28 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2cwd h VAL 98 CO -0.01 0.21 -0.41 -0.07 0.02 0.00 0.00 177.57 177.31 2cwd h LEU 99 N 0.63 0.15 0.22 2.57 3.38 -0.99 0.48 115.31 121.75 2cwd h LEU 99 Ca 0.17 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2cwd h LEU 99 Cb 0.12 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2cwd h LEU 99 CO -0.02 0.55 -0.11 -0.09 0.09 0.00 0.00 178.44 178.86 2cwd h ARG 100 N 0.12 -0.29 -0.25 1.13 2.43 -0.28 -2.45 114.38 114.79 2cwd h ARG 100 Ca 0.01 0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 59.00 2cwd h ARG 100 Cb 0.78 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 2cwd h ARG 100 CO 0.06 -0.02 -0.63 0.00 -1.51 0.00 0.00 179.97 177.87 2cwd h ARG 101 N -0.54 0.86 -2.63 0.20 3.08 -1.32 -3.39 114.38 110.64 2cwd h ARG 101 Ca -0.03 -0.59 -0.60 0.00 0.07 0.00 0.00 59.98 58.83 2cwd h ARG 101 Cb 0.40 0.09 -0.40 0.00 0.08 0.00 0.00 29.97 30.14 2cwd h ARG 101 CO 0.05 1.22 -0.80 1.19 -1.07 0.00 0.00 179.97 180.56 2cwd n PHE 102 N -3.98 1.02 0.20 3.04 3.72 0.15 -4.97 117.46 116.64 2cwd n PHE 102 Ca -0.05 -3.77 0.18 0.00 -0.05 0.00 0.00 57.45 53.76 2cwd n PHE 102 Cb 0.67 -0.17 0.82 0.00 -0.94 0.00 0.00 39.48 39.86 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 5.38 0.00 0.00 -1.08 0.13 -1.63 -0.61 132.00 134.19 2cwd h PRO 103 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 2cwd h PRO 103 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2cwd h PRO 103 CO 0.54 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.46 2cwd n GLU 104 N -3.59 0.65 0.00 0.86 0.00 -1.26 -2.30 120.64 115.01 2cwd n GLU 104 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.32 2cwd n GLU 104 Cb 0.42 -1.31 0.40 0.00 0.00 0.00 0.00 31.44 30.95 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 -0.81 3.11 -0.29 -1.84 0.00 -0.24 -4.53 120.51 115.92 2cwd n ALA 105 Ca 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 53.44 53.17 2cwd n ALA 105 Cb 0.04 -1.19 0.01 0.00 0.00 0.00 0.00 19.45 18.32 2cwd n ALA 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2cwd n ARG 106 N -1.01 -0.20 -0.11 0.00 5.12 -0.97 -0.28 116.66 119.21 2cwd n ARG 106 Ca 0.10 1.12 0.02 0.00 -1.93 0.00 0.00 57.85 57.17 2cwd n ARG 106 Cb 0.33 -1.67 0.08 0.00 -1.16 0.00 0.00 32.46 30.04 2cwd n ARG 106 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2cwd n GLY 107 N -1.32 0.30 0.00 -0.13 0.00 -1.26 -4.05 105.19 98.72 2cwd n GLY 107 Ca 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2cwd n GLY 107 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cwd n LYS 108 N 0.01 2.32 -3.46 1.61 5.02 0.62 -5.06 118.16 119.22 2cwd n LYS 108 Ca 0.06 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.97 2cwd n LYS 108 Cb 0.22 -0.82 -0.06 0.00 -0.02 0.00 0.00 35.03 34.35 2cwd n LYS 108 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2cwd s VAL 109 N -1.41 5.12 0.10 -0.18 0.11 -0.77 -1.34 120.40 122.03 2cwd s VAL 109 Ca 0.00 0.82 -0.25 0.00 -2.93 0.00 0.00 61.98 59.62 2cwd s VAL 109 Cb 0.00 -3.72 0.08 0.00 -1.53 0.00 0.00 36.38 31.20 2cwd s VAL 109 CO 0.00 0.48 0.67 0.00 -3.33 0.00 0.00 175.10 172.92 2cwd s ARG 110 N -0.38 1.16 0.32 1.54 1.70 -0.48 -4.96 118.95 117.85 2cwd s ARG 110 Ca 0.23 -0.34 -0.29 0.00 -0.47 0.00 0.00 55.73 54.85 2cwd s ARG 110 Cb -0.16 0.54 -0.11 0.00 -0.57 0.00 0.00 34.95 34.65 2cwd s ARG 110 CO 0.11 -0.49 1.55 -0.51 -1.08 0.00 0.00 175.30 174.87 2cwd s LEU 111 N -2.49 4.34 0.35 -1.89 1.43 -1.26 -1.67 118.68 117.50 2cwd s LEU 111 Ca 0.00 2.96 0.07 0.00 -1.03 0.00 0.00 54.13 56.13 2cwd s LEU 111 Cb -0.01 -3.64 0.66 0.00 0.03 0.00 0.00 46.19 43.23 2cwd s LEU 111 CO -0.09 -0.88 1.86 1.62 0.23 0.00 0.00 176.35 179.09 2cwd h VAL 112 N 3.27 1.21 0.00 -1.59 3.04 -1.14 -1.02 116.25 120.01 2cwd h VAL 112 Ca -0.48 -0.91 0.00 0.00 -1.01 0.00 0.00 66.70 64.30 2cwd h VAL 112 Cb 1.23 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 31.70 2cwd h VAL 112 CO 0.74 0.29 0.00 0.18 -1.01 0.00 0.00 177.57 177.77 2cwd n LEU 113 N -4.24 0.00 0.14 3.16 4.77 -1.26 -3.28 117.00 116.29 2cwd n LEU 113 Ca -0.00 0.05 0.09 0.00 -0.03 0.00 0.00 56.01 56.12 2cwd n LEU 113 Cb 0.30 -0.05 0.49 0.00 -2.33 0.00 0.00 43.42 41.83 2cwd n LEU 113 CO 0.39 -0.00 0.78 -0.62 -1.33 0.00 0.00 177.39 176.60 2cwd n GLU 114 N -1.05 0.12 -0.04 3.23 -0.58 -0.39 -1.72 120.64 120.21 2cwd n GLU 114 Ca 0.21 0.61 -0.14 0.00 -0.42 0.00 0.00 57.16 57.43 2cwd n GLU 114 Cb 0.13 -1.88 -0.08 0.00 -0.57 0.00 0.00 31.44 29.03 2cwd n GLU 114 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2cwd h GLU 115 N 0.00 0.27 -1.01 3.49 4.39 -1.76 -3.15 114.58 116.81 2cwd h GLU 115 Ca 0.00 -0.16 -0.17 0.00 0.34 0.00 0.00 59.36 59.37 2cwd h GLU 115 Cb 0.00 0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 28.57 2cwd h GLU 115 CO 0.00 0.74 0.22 1.28 -1.16 0.00 0.00 179.01 180.08 2cwd n LEU 116 N -4.59 4.25 0.00 1.33 4.77 -0.70 -4.86 117.00 117.20 2cwd n LEU 116 Ca -0.07 -2.20 0.00 0.00 -0.03 0.00 0.00 56.01 53.71 2cwd n LEU 116 Cb 0.37 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2cwd n LEU 116 CO 0.38 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 2cwd n GLY 117 N -0.04 3.02 0.00 -0.72 0.00 -1.19 -5.00 105.19 101.26 2cwd n GLY 117 Ca 0.20 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 -2.46 0.00 -0.02 0.00 -0.84 -4.77 105.19 97.10 2cwd n GLY 118 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.68 2.46 3.38 -0.02 0.00 -1.26 -4.68 105.19 104.39 2cwd n GLY 119 Ca 0.00 -2.11 -0.32 0.00 0.00 0.00 0.00 46.02 43.59 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 -2.11 2.35 -0.35 1.61 2.02 -1.26 -4.40 118.70 116.55 2cwd s GLU 120 Ca 0.00 -0.83 -0.29 0.00 0.02 0.00 0.00 54.97 53.88 2cwd s GLU 120 Cb 0.00 -2.21 0.02 0.00 0.10 0.00 0.00 34.13 32.04 2cwd s GLU 120 CO 0.00 0.56 1.06 0.08 0.02 0.00 0.00 175.26 176.98 2cwd s VAL 121 N -0.59 4.47 0.45 2.63 1.01 -0.65 -4.99 120.40 122.74 2cwd s VAL 121 Ca 0.09 1.57 -0.24 0.00 0.00 0.00 0.00 61.98 63.40 2cwd s VAL 121 Cb -0.11 -4.44 -0.07 0.00 0.00 0.00 0.00 36.38 31.76 2cwd s VAL 121 CO 0.00 -0.58 1.27 -1.58 0.00 0.00 0.00 175.10 174.21 2cwd s GLN 122 N 3.77 3.73 -0.19 2.72 0.74 -1.26 -4.58 119.66 124.58 2cwd s GLN 122 Ca 0.45 2.04 -0.29 0.00 0.05 0.00 0.00 55.36 57.61 2cwd s GLN 122 Cb -0.11 -2.54 -0.01 0.00 1.10 0.00 0.00 33.01 31.44 2cwd s GLN 122 CO 0.19 -0.65 1.30 0.34 -0.55 0.00 0.00 175.29 175.92 2cwd s ASP 123 N -0.99 6.85 0.00 6.67 2.15 -1.26 -4.91 116.67 125.18 2cwd s ASP 123 Ca 0.62 1.61 0.19 0.00 0.43 0.00 0.00 52.55 55.40 2cwd s ASP 123 Cb -0.35 -2.54 0.52 0.00 -0.30 0.00 0.00 42.92 40.25 2cwd s ASP 123 CO 0.44 -0.85 1.43 -0.81 -0.17 0.00 0.00 175.17 175.20 2cwd n PRO 124 N 6.82 2.20 -0.27 4.34 -0.04 -1.26 -4.55 135.00 142.24 2cwd n PRO 124 Ca 0.14 -1.84 0.12 0.00 -0.04 0.00 0.00 63.50 61.89 2cwd n PRO 124 Cb 0.45 -1.43 0.38 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 3.24 0.81 -0.33 0.54 3.20 -1.96 -0.61 116.97 121.86 2cwd h TYR 125 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2cwd h TYR 125 Cb 0.73 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.75 2cwd h TYR 125 CO 0.28 0.29 0.00 0.66 -1.64 0.00 0.00 178.16 177.75 2cwd n TYR 126 N -4.57 0.42 -0.56 -3.82 4.01 -1.26 -4.90 117.16 106.49 2cwd n TYR 126 Ca 0.18 -0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 2cwd n TYR 126 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 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 1.35 1.76 0.00 2.72 0.00 -0.24 -5.15 105.19 105.63 2cwd n GLY 127 Ca 0.18 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 0.96 -0.26 1.61 5.68 -1.26 -5.01 116.55 118.27 2cwd n ASP 128 Ca 0.00 -0.46 0.03 0.00 -0.50 0.00 0.00 54.79 53.86 2cwd n ASP 128 Cb 0.00 0.00 0.26 0.00 -1.14 0.00 0.00 41.12 40.24 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 0.86 -0.61 -2.12 5.85 -1.94 -2.69 115.31 114.66 2cwd h LEU 129 Ca 0.00 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 2cwd h LEU 129 Cb 0.00 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2cwd h LEU 129 CO 0.00 0.58 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.30 2cwd h GLU 130 N 0.99 1.05 -0.89 1.25 4.39 -1.98 -2.04 114.58 117.35 2cwd h GLU 130 Ca 0.34 -0.35 0.01 0.00 0.34 0.00 0.00 59.36 59.70 2cwd h GLU 130 Cb 0.11 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.63 2cwd h GLU 130 CO -0.11 1.05 0.57 -0.44 -1.16 0.00 0.00 179.01 178.92 2cwd h ASP 131 N 0.95 1.03 -0.22 1.42 3.32 -1.86 -0.34 116.42 120.70 2cwd h ASP 131 Ca 0.16 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 2cwd h ASP 131 Cb 0.60 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2cwd h ASP 131 CO 0.04 0.76 -0.11 -0.26 -1.72 0.00 0.00 179.24 177.94 2cwd h PHE 132 N 1.21 0.67 -0.52 4.55 0.04 -1.30 -1.18 116.94 120.40 2cwd h PHE 132 Ca 0.32 -0.11 -0.10 0.00 2.80 0.00 0.00 57.97 60.88 2cwd h PHE 132 Cb -0.12 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 37.84 2cwd h PHE 132 CO 0.00 0.71 -0.08 0.00 -0.60 0.00 0.00 178.31 178.33 2cwd h ARG 133 N 0.57 0.96 -0.54 1.51 3.08 -0.52 -0.17 114.38 119.27 2cwd h ARG 133 Ca 0.10 -0.33 -0.04 0.00 0.07 0.00 0.00 59.98 59.78 2cwd h ARG 133 Cb 0.53 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 2cwd h ARG 133 CO 0.03 1.00 0.15 0.93 -1.07 0.00 0.00 179.97 181.01 2cwd h GLU 134 N 0.86 0.81 -0.27 0.04 5.08 -0.58 -2.18 114.58 118.34 2cwd h GLU 134 Ca 0.14 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 2cwd h GLU 134 Cb 0.62 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2cwd h GLU 134 CO 0.04 0.71 -0.16 0.28 -1.00 0.00 0.00 179.01 178.89 2cwd h VAL 135 N 0.78 1.30 0.00 3.13 2.07 -0.76 -2.26 116.25 120.51 2cwd h VAL 135 Ca 0.18 -1.26 0.03 0.00 0.82 0.00 0.00 66.70 66.46 2cwd h VAL 135 Cb 0.26 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 2cwd h VAL 135 CO -0.01 0.40 -0.26 0.22 0.02 0.00 0.00 177.57 177.94 2cwd h TYR 136 N 0.32 -0.71 0.00 1.57 3.20 -0.64 -0.02 116.97 120.69 2cwd h TYR 136 Ca 0.06 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 2cwd h TYR 136 Cb 0.68 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 2cwd h TYR 136 CO 0.06 -0.36 -0.29 -1.49 -1.64 0.00 0.00 178.16 174.44 2cwd h TRP 137 N -0.41 0.00 -0.25 -3.82 4.06 -1.44 0.29 115.95 114.39 2cwd h TRP 137 Ca 0.06 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.94 2cwd h TRP 137 Cb 0.49 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.64 2cwd h TRP 137 CO -0.30 0.29 -0.13 1.15 -3.56 0.00 0.00 178.44 175.90 2cwd h THR 138 N 0.00 1.30 -0.31 1.49 2.02 -0.81 -2.45 112.91 114.15 2cwd h THR 138 Ca -0.00 -1.21 -0.14 0.00 0.77 0.00 0.00 66.41 65.83 2cwd h THR 138 Cb 0.57 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 2cwd h THR 138 CO 0.04 0.38 -0.37 -0.07 0.37 0.00 0.00 175.52 175.86 2cwd h LEU 139 N 0.25 0.76 -0.55 2.58 3.38 -0.56 -2.85 115.31 118.32 2cwd h LEU 139 Ca 0.05 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.74 2cwd h LEU 139 Cb 0.63 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 2cwd h LEU 139 CO 0.04 1.05 0.28 -0.08 0.09 0.00 0.00 178.44 179.82 2cwd h GLU 140 N 0.60 0.53 -0.51 1.13 4.22 -0.36 0.46 114.58 120.64 2cwd h GLU 140 Ca 0.06 -0.03 -0.08 0.00 0.08 0.00 0.00 59.36 59.39 2cwd h GLU 140 Cb 0.91 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 2cwd h GLU 140 CO 0.08 0.35 0.02 0.00 -2.18 0.00 0.00 179.01 177.28 2cwd h ALA 141 N 1.29 0.69 -0.59 2.92 0.00 -1.39 -1.40 119.26 120.77 2cwd h ALA 141 Ca 0.24 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2cwd h ALA 141 Cb 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2cwd h ALA 141 CO -0.16 0.48 0.11 0.00 0.00 0.00 0.00 179.25 179.68 2cwd h ALA 142 N 0.95 0.79 -0.08 0.00 0.00 -1.21 -2.08 119.26 117.63 2cwd h ALA 142 Ca 0.15 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 2cwd h ALA 142 Cb 0.49 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2cwd h ALA 142 CO 0.02 0.53 -0.58 -0.07 0.00 0.00 0.00 179.25 179.15 2cwd h LEU 143 N 0.88 0.28 -0.47 0.00 3.38 -0.80 -0.32 115.31 118.25 2cwd h LEU 143 Ca 0.18 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 2cwd h LEU 143 Cb 0.40 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2cwd h LEU 143 CO 0.01 0.79 0.10 1.56 0.09 0.00 0.00 178.44 180.99 2cwd h GLN 144 N 0.19 0.76 -0.52 1.13 1.08 -1.15 -1.57 115.11 115.04 2cwd h GLN 144 Ca -0.00 -0.19 -0.04 0.00 -1.45 0.00 0.00 58.65 56.96 2cwd h GLN 144 Cb 1.07 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.38 2cwd h GLN 144 CO 0.09 0.76 0.14 0.00 -0.95 0.00 0.00 178.83 178.87 2cwd h ALA 145 N 0.97 1.28 0.06 3.87 0.00 -1.09 -1.40 119.26 122.95 2cwd h ALA 145 Ca 0.15 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2cwd h ALA 145 Cb 0.35 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2cwd h ALA 145 CO 0.00 0.51 -0.03 0.35 0.00 0.00 0.00 179.25 180.09 2cwd h PHE 146 N 0.76 -0.07 0.00 0.00 3.57 -0.59 -2.62 116.94 117.98 2cwd h PHE 146 Ca 0.17 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 2cwd h PHE 146 Cb 0.25 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2cwd h PHE 146 CO 0.01 0.10 -0.24 -0.07 -2.23 0.00 0.00 178.31 175.89 2cwd h LEU 147 N -0.23 0.00 -1.30 0.59 3.38 -1.13 -0.14 115.31 116.48 2cwd h LEU 147 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2cwd h LEU 147 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2cwd h LEU 147 CO 0.01 0.24 -0.35 0.44 0.09 0.00 0.00 178.44 178.87 2cwd h ASP 148 N 0.00 0.00 0.00 -0.43 3.32 -0.99 0.36 116.42 118.69 2cwd h ASP 148 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2cwd h ASP 148 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2cwd h ASP 148 CO 0.03 0.35 -0.02 -0.09 -1.72 0.00 0.00 179.24 177.79 2cwd h ARG 149 N 0.00 0.00 -0.00 3.56 2.43 -0.95 -3.39 114.38 116.03 2cwd h ARG 149 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2cwd h ARG 149 Cb 0.64 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2cwd h ARG 149 CO 0.05 0.00 -0.24 0.72 -1.51 0.00 0.00 179.97 178.98 2cwd n HIS 150 N -3.65 0.00 1.94 2.20 8.25 -0.16 -5.12 115.22 118.68 2cwd n HIS 150 Ca -0.00 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.62 2cwd n HIS 150 Cb 0.01 -0.20 0.90 0.00 1.12 0.00 0.00 29.99 31.82 2cwd n HIS 150 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39