#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wmm s THR 2 N 0.00 1.88 -0.06 3.17 2.01 -1.26 -5.04 115.64 116.34 1wmm s THR 2 Ca 0.00 -1.24 -0.03 0.00 0.31 0.00 0.00 61.69 60.72 1wmm s THR 2 Cb 0.00 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 1wmm s THR 2 CO 0.00 0.32 0.10 -0.31 -0.69 0.00 0.00 174.62 174.03 1wmm s TYR 3 N -0.76 3.40 0.07 4.92 2.02 -1.26 -2.18 117.35 123.55 1wmm s TYR 3 Ca 0.09 0.33 0.00 0.00 -0.37 0.00 0.00 57.07 57.13 1wmm s TYR 3 Cb -0.09 -1.83 -0.04 0.00 -0.40 0.00 0.00 41.96 39.60 1wmm s TYR 3 CO 0.02 0.61 -0.05 -1.58 -1.57 0.00 0.00 175.55 172.98 1wmm s TRP 4 N -1.10 0.66 -0.13 2.71 0.52 -0.10 -0.34 118.94 121.16 1wmm s TRP 4 Ca 0.19 -0.93 0.01 0.00 0.02 0.00 0.00 56.10 55.39 1wmm s TRP 4 Cb -0.12 -0.43 0.02 0.00 -1.15 0.00 0.00 33.47 31.79 1wmm s TRP 4 CO 0.09 -0.26 -0.17 -1.50 0.02 0.00 0.00 176.95 175.14 1wmm s ILE 5 N -3.46 1.68 -0.14 2.03 2.07 -0.69 0.37 121.20 123.06 1wmm s ILE 5 Ca 0.06 -0.73 -0.05 0.00 -1.41 0.00 0.00 60.65 58.51 1wmm s ILE 5 Cb 0.04 -1.54 -0.04 0.00 0.13 0.00 0.00 42.46 41.06 1wmm s ILE 5 CO -0.07 0.48 0.04 0.00 -1.91 0.00 0.00 174.94 173.48 1wmm s ILE 7 N -0.16 4.91 0.00 0.00 1.09 0.59 -0.76 121.20 126.87 1wmm s ILE 7 Ca 0.06 -0.56 0.00 0.00 -1.10 0.00 0.00 60.65 59.05 1wmm s ILE 7 Cb -0.12 -3.63 0.00 0.00 -1.06 0.00 0.00 42.46 37.64 1wmm s ILE 7 CO 0.02 -0.13 0.00 1.07 -0.10 0.00 0.00 174.94 175.79 1wmm n THR 8 N 5.06 0.00 -4.48 2.92 5.66 0.31 -4.88 114.28 118.87 1wmm n THR 8 Ca -0.12 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.64 1wmm n THR 8 Cb 0.48 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.17 1wmm n THR 8 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1wmm s ASN 9 N 0.16 2.50 0.23 1.09 4.22 -1.26 -1.16 114.94 120.72 1wmm s ASN 9 Ca 0.00 -1.55 -0.08 0.00 -2.14 0.00 0.00 52.86 49.10 1wmm s ASN 9 Cb 0.00 0.28 0.23 0.00 1.28 0.00 0.00 41.25 43.04 1wmm s ASN 9 CO 0.00 -0.80 1.90 0.03 -2.04 0.00 0.00 177.10 176.19 1wmm h ARG 10 N 1.95 1.16 -0.56 3.55 3.08 -1.94 -0.36 114.38 121.26 1wmm h ARG 10 Ca -0.37 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.57 1wmm h ARG 10 Cb 1.26 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 1wmm h ARG 10 CO 0.62 0.77 0.21 1.49 -1.07 0.00 0.00 179.97 181.98 1wmm h GLU 11 N 1.20 0.85 -0.06 0.04 4.81 -1.97 -2.92 114.58 116.53 1wmm h GLU 11 Ca 0.34 -0.17 -0.16 0.00 -0.13 0.00 0.00 59.36 59.24 1wmm h GLU 11 Cb -0.11 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 1wmm h GLU 11 CO -0.08 0.75 -0.68 -0.91 -0.73 0.00 0.00 179.01 177.35 1wmm h ASN 12 N 0.77 0.31 -0.85 1.04 2.35 -1.81 -3.03 115.58 114.36 1wmm h ASN 12 Ca 0.18 -0.20 0.11 0.00 -0.55 0.00 0.00 56.30 55.85 1wmm h ASN 12 Cb 0.23 -0.09 -0.06 0.00 0.05 0.00 0.00 38.32 38.45 1wmm h ASN 12 CO -0.01 0.90 0.55 -0.25 -1.65 0.00 0.00 177.43 176.97 1wmm h TRP 13 N 0.19 0.83 -0.71 1.19 -0.00 -0.90 0.11 115.95 116.65 1wmm h TRP 13 Ca -0.02 0.02 -0.06 0.00 -0.00 0.00 0.00 58.89 58.84 1wmm h TRP 13 Cb 1.23 -0.27 -0.03 0.00 -0.00 0.00 0.00 29.16 30.09 1wmm h TRP 13 CO 0.03 0.36 0.22 1.49 -0.00 0.00 0.00 178.44 180.53 1wmm h GLU 14 N 0.75 1.11 -0.28 2.65 4.57 -1.39 -0.05 114.58 121.94 1wmm h GLU 14 Ca 0.41 -0.24 -0.07 0.00 -1.18 0.00 0.00 59.36 58.27 1wmm h GLU 14 Cb 0.55 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1wmm h GLU 14 CO -0.17 0.96 -0.11 0.28 -1.18 0.00 0.00 179.01 178.79 1wmm h VAL 15 N 1.05 1.29 -0.56 0.32 2.07 -1.18 -1.65 116.25 117.59 1wmm h VAL 15 Ca 0.23 -1.17 0.05 0.00 0.82 0.00 0.00 66.70 66.63 1wmm h VAL 15 Cb 0.31 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 1wmm h VAL 15 CO -0.01 0.37 0.30 0.40 0.02 0.00 0.00 177.57 178.65 1wmm h ILE 16 N 0.31 0.96 -0.42 4.57 2.04 -0.60 0.18 117.51 124.55 1wmm h ILE 16 Ca 0.07 -0.20 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 1wmm h ILE 16 Cb 0.61 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1wmm h ILE 16 CO 0.04 0.10 -0.06 0.50 0.00 0.00 0.00 178.15 178.73 1wmm h LYS 17 N 0.57 0.72 0.09 2.37 3.64 -0.88 -0.45 116.57 122.64 1wmm h LYS 17 Ca 0.25 -0.21 -0.26 0.00 -1.27 0.00 0.00 60.65 59.16 1wmm h LYS 17 Cb 0.14 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1wmm h LYS 17 CO -0.16 0.78 -1.16 0.00 -2.27 0.00 0.00 179.45 176.63 1wmm h ARG 18 N 0.67 0.22 -0.01 1.90 3.08 -0.59 -3.37 114.38 116.29 1wmm h ARG 18 Ca 0.12 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1wmm h ARG 18 Cb 0.50 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1wmm h ARG 18 CO 0.03 1.16 -0.47 0.72 -1.07 0.00 0.00 179.97 180.34 1wmm n HIS 19 N -3.52 0.00 -3.81 3.04 8.25 0.55 -5.00 115.22 114.74 1wmm n HIS 19 Ca -0.07 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.16 1wmm n HIS 19 Cb 0.99 0.00 0.01 0.00 1.12 0.00 0.00 29.99 32.11 1wmm n HIS 19 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1wmm n ASN 20 N -0.31 -1.12 -3.88 0.41 3.02 -0.18 -4.92 115.26 108.28 1wmm n ASN 20 Ca 0.07 -0.92 -0.14 0.00 -0.03 0.00 0.00 54.58 53.56 1wmm n ASN 20 Cb 0.37 -3.55 -0.15 0.00 -0.61 0.00 0.00 39.78 35.84 1wmm n ASN 20 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wmm s VAL 21 N -3.79 0.15 -0.17 2.41 1.01 -1.24 -1.47 120.40 117.31 1wmm s VAL 21 Ca 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 1wmm s VAL 21 Cb -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.20 1wmm s VAL 21 CO 0.85 0.07 -0.14 0.86 0.00 0.00 0.00 175.10 176.74 1wmm s TRP 22 N 0.24 2.82 0.21 5.22 -0.11 -0.84 -4.56 118.94 121.91 1wmm s TRP 22 Ca -0.02 -1.12 0.07 0.00 1.22 0.00 0.00 56.10 56.25 1wmm s TRP 22 Cb -0.04 -1.94 -0.05 0.00 -1.50 0.00 0.00 33.47 29.94 1wmm s TRP 22 CO -0.01 -0.54 -0.12 0.20 -4.62 0.00 0.00 176.95 171.87 1wmm s GLY 23 N 1.03 1.45 0.08 5.86 0.00 -1.26 -1.78 107.32 112.69 1wmm s GLY 23 Ca -0.01 -1.68 -0.05 0.00 0.00 0.00 0.00 44.72 42.97 1wmm s GLY 23 CO -0.03 -1.74 0.10 -1.34 0.00 0.00 0.00 173.10 170.09 1wmm s VAL 24 N -3.06 0.17 0.88 1.40 -7.23 0.04 -4.98 120.40 107.62 1wmm s VAL 24 Ca 0.23 -1.46 -0.12 0.00 -1.81 0.00 0.00 61.98 58.82 1wmm s VAL 24 Cb 0.01 -1.45 0.12 0.00 0.56 0.00 0.00 36.38 35.62 1wmm s VAL 24 CO 0.07 -0.78 1.11 -2.84 -0.31 0.00 0.00 175.10 172.35 1wmm s PRO 25 N -3.89 1.40 0.30 4.82 0.02 -1.26 -2.87 135.00 133.52 1wmm s PRO 25 Ca 0.07 0.53 0.02 0.00 0.02 0.00 0.00 61.00 61.64 1wmm s PRO 25 Cb 0.06 -1.85 0.58 0.00 0.02 0.00 0.00 34.50 33.32 1wmm s PRO 25 CO -0.10 -2.07 1.88 -0.22 -0.33 0.00 0.00 177.00 176.15 1wmm h LYS 26 N -1.41 0.94 -0.80 5.54 3.64 -1.98 -2.05 116.57 120.44 1wmm h LYS 26 Ca -0.50 -0.06 0.17 0.00 -1.27 0.00 0.00 60.65 58.99 1wmm h LYS 26 Cb 1.30 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 32.85 1wmm h LYS 26 CO 0.59 0.62 0.54 1.57 -2.27 0.00 0.00 179.45 180.50 1wmm h LYS 27 N 0.97 0.39 -0.62 1.90 2.10 -2.04 -1.05 116.57 118.21 1wmm h LYS 27 Ca 0.44 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 59.07 1wmm h LYS 27 Cb 0.39 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 1wmm h LYS 27 CO -0.20 0.26 0.00 0.72 -2.00 0.00 0.00 179.45 178.23 1wmm n HIS 28 N -4.48 1.82 0.14 0.07 8.25 -0.78 -4.52 115.22 115.73 1wmm n HIS 28 Ca 0.16 -0.67 0.03 0.00 -0.26 0.00 0.00 57.72 56.98 1wmm n HIS 28 Cb 0.59 -0.39 0.42 0.00 1.12 0.00 0.00 29.99 31.72 1wmm n HIS 28 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1wmm h LYS 29 N 4.06 0.18 -0.48 -0.41 2.10 -1.17 -2.49 116.57 118.36 1wmm h LYS 29 Ca 0.00 -0.04 -0.09 0.00 -2.00 0.00 0.00 60.65 58.52 1wmm h LYS 29 Cb 1.74 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 33.03 1wmm h LYS 29 CO 0.38 0.33 -0.06 -0.97 -2.00 0.00 0.00 179.45 177.12 1wmm h ASN 30 N 0.17 0.82 -0.58 7.07 -1.24 -1.81 -0.90 115.58 119.11 1wmm h ASN 30 Ca 0.04 -0.23 -0.08 0.00 0.71 0.00 0.00 56.30 56.73 1wmm h ASN 30 Cb 0.36 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.17 1wmm h ASN 30 CO 0.02 0.92 0.04 0.74 -1.29 0.00 0.00 177.43 177.86 1wmm h THR 31 N 0.76 1.26 -0.01 -3.57 2.02 -1.79 -2.69 112.91 108.90 1wmm h THR 31 Ca 0.14 -1.08 -0.08 0.00 0.77 0.00 0.00 66.41 66.16 1wmm h THR 31 Cb 0.55 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1wmm h THR 31 CO 0.03 0.39 -0.36 0.25 0.37 0.00 0.00 175.52 176.21 1wmm h LEU 32 N 0.89 0.02 -1.25 2.58 5.85 -1.17 -2.48 115.31 119.75 1wmm h LEU 32 Ca 0.17 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1wmm h LEU 32 Cb 0.50 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1wmm h LEU 32 CO 0.02 0.37 0.00 0.77 -0.34 0.00 0.00 178.44 179.27 1wmm h SER 33 N 0.02 0.00 0.80 1.25 4.64 -0.81 -0.75 113.55 118.70 1wmm h SER 33 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wmm h SER 33 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1wmm h SER 33 CO 0.05 0.00 -0.58 0.54 -0.87 0.00 0.00 176.83 175.97 1wmm n ARG 34 N -2.35 0.23 -2.36 4.77 1.74 -0.93 -4.91 116.66 112.85 1wmm n ARG 34 Ca -0.00 0.07 -0.41 0.00 -0.77 0.00 0.00 57.85 56.74 1wmm n ARG 34 Cb 0.13 -1.64 -0.03 0.00 -1.02 0.00 0.00 32.46 29.89 1wmm n ARG 34 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1wmm s VAL 35 N -3.13 3.45 0.10 1.55 1.01 -0.29 -5.04 120.40 118.06 1wmm s VAL 35 Ca 0.07 1.27 0.04 0.00 0.00 0.00 0.00 61.98 63.36 1wmm s VAL 35 Cb 0.14 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1wmm s VAL 35 CO 0.71 0.23 -0.10 -0.54 0.00 0.00 0.00 175.10 175.40 1wmm s LYS 36 N -0.57 0.87 0.27 2.72 -0.14 -1.26 -4.56 119.74 117.08 1wmm s LYS 36 Ca 0.51 -1.21 -0.30 0.00 -1.36 0.00 0.00 55.97 53.61 1wmm s LYS 36 Cb -0.33 -0.52 -0.13 0.00 -1.68 0.00 0.00 37.83 35.16 1wmm s LYS 36 CO 0.39 0.07 1.31 -2.30 -0.76 0.00 0.00 175.35 174.06 1wmm n PRO 37 N 0.41 1.91 0.00 -1.68 -0.02 -1.26 -1.46 135.00 132.90 1wmm n PRO 37 Ca -0.15 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1wmm n PRO 37 Cb 0.58 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1wmm n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wmm n GLY 38 N 1.65 3.25 3.72 -1.23 0.00 0.87 -4.97 105.19 108.47 1wmm n GLY 38 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1wmm n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wmm n ASP 39 N 0.03 1.84 -4.81 1.61 8.00 -0.54 -4.65 116.55 118.04 1wmm n ASP 39 Ca 0.00 0.77 -0.34 0.00 0.71 0.00 0.00 54.79 55.94 1wmm n ASP 39 Cb 0.00 -1.55 -0.07 0.00 -0.02 0.00 0.00 41.12 39.49 1wmm n ASP 39 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1wmm s LYS 40 N -3.53 3.16 -0.10 -1.24 3.01 -0.93 -0.86 119.74 119.25 1wmm s LYS 40 Ca 0.81 -0.41 0.02 0.00 -1.01 0.00 0.00 55.97 55.38 1wmm s LYS 40 Cb -0.36 -2.93 0.01 0.00 -1.01 0.00 0.00 37.83 33.54 1wmm s LYS 40 CO 0.43 0.67 -0.18 -0.51 0.51 0.00 0.00 175.35 176.27 1wmm s LEU 41 N -1.64 1.86 -0.27 3.17 1.43 0.14 -0.92 118.68 122.45 1wmm s LEU 41 Ca 0.22 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.74 1wmm s LEU 41 Cb -0.12 -1.18 -0.05 0.00 0.03 0.00 0.00 46.19 44.87 1wmm s LEU 41 CO 0.13 0.06 0.19 -0.69 0.23 0.00 0.00 176.35 176.27 1wmm s VAL 42 N 0.75 5.32 -0.23 -1.59 1.01 0.16 -0.05 120.40 125.77 1wmm s VAL 42 Ca -0.11 0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.87 1wmm s VAL 42 Cb -0.16 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 1wmm s VAL 42 CO 0.02 0.27 0.59 -0.63 0.00 0.00 0.00 175.10 175.35 1wmm s ILE 43 N 1.59 5.03 -0.09 2.22 -1.09 -0.08 -0.49 121.20 128.29 1wmm s ILE 43 Ca 0.08 1.08 0.03 0.00 -2.23 0.00 0.00 60.65 59.61 1wmm s ILE 43 Cb -0.15 -3.90 -0.01 0.00 -1.58 0.00 0.00 42.46 36.81 1wmm s ILE 43 CO 0.09 0.09 -0.19 -0.47 -1.23 0.00 0.00 174.94 173.23 1wmm s TYR 44 N 2.16 2.63 -0.16 3.97 6.14 0.06 -1.00 117.35 131.14 1wmm s TYR 44 Ca 0.26 -0.64 -0.03 0.00 0.64 0.00 0.00 57.07 57.29 1wmm s TYR 44 Cb -0.16 -1.70 -0.02 0.00 0.42 0.00 0.00 41.96 40.50 1wmm s TYR 44 CO 0.09 -0.17 -0.05 0.14 0.64 0.00 0.00 175.55 176.20 1wmm s VAL 45 N -0.03 3.68 0.97 3.14 -7.23 -0.47 -0.53 120.40 119.93 1wmm s VAL 45 Ca -0.06 -0.43 -0.12 0.00 -1.81 0.00 0.00 61.98 59.56 1wmm s VAL 45 Cb -0.15 -2.61 0.17 0.00 0.56 0.00 0.00 36.38 34.36 1wmm s VAL 45 CO 0.05 0.49 1.11 0.00 -0.31 0.00 0.00 175.10 176.43 1wmm s ARG 46 N 0.53 0.65 0.17 4.82 1.70 -0.31 -2.19 118.95 124.33 1wmm s ARG 46 Ca -0.04 0.44 -0.31 0.00 -0.47 0.00 0.00 55.73 55.36 1wmm s ARG 46 Cb -0.15 -1.77 -0.09 0.00 -0.57 0.00 0.00 34.95 32.38 1wmm s ARG 46 CO 0.03 -2.56 1.41 -1.14 -1.08 0.00 0.00 175.30 171.96 1wmm s GLN 47 N -5.06 4.31 0.00 3.89 0.74 -1.26 -4.50 119.66 117.77 1wmm s GLN 47 Ca 0.65 2.17 0.00 0.00 0.05 0.00 0.00 55.36 58.23 1wmm s GLN 47 Cb -0.17 -3.19 0.00 0.00 1.10 0.00 0.00 33.01 30.75 1wmm s GLN 47 CO 0.56 -0.42 0.00 0.39 -0.55 0.00 0.00 175.29 175.27 1wmm n GLU 48 N 3.28 0.00 -3.72 1.67 1.02 0.01 -4.94 120.64 117.96 1wmm n GLU 48 Ca 0.10 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.12 1wmm n GLU 48 Cb 0.41 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.71 1wmm n GLU 48 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1wmm s LYS 49 N -1.56 0.28 1.20 3.49 -2.85 -1.26 0.97 119.74 120.01 1wmm s LYS 49 Ca 0.00 0.63 -0.20 0.00 -1.00 0.00 0.00 55.97 55.39 1wmm s LYS 49 Cb 0.00 -0.08 0.31 0.00 -2.06 0.00 0.00 37.83 36.00 1wmm s LYS 49 CO 0.00 -0.16 0.82 -0.40 0.10 0.00 0.00 175.35 175.71 1wmm n ASP 50 N 4.22 -3.21 0.28 0.03 5.75 -0.70 -4.81 116.55 118.11 1wmm n ASP 50 Ca -0.24 -0.87 0.17 0.00 -0.01 0.00 0.00 54.79 53.83 1wmm n ASP 50 Cb 0.54 -0.87 0.79 0.00 -1.03 0.00 0.00 41.12 40.55 1wmm n ASP 50 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1wmm h LYS 51 N 0.00 0.00 -0.01 0.11 1.57 -2.02 -2.30 116.57 113.92 1wmm h LYS 51 Ca -0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1wmm h LYS 51 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1wmm h LYS 51 CO 0.22 0.03 -0.08 -1.91 -0.57 0.00 0.00 179.45 177.14 1wmm n GLU 52 N -3.18 0.97 0.00 3.15 4.07 -1.26 -4.92 120.64 119.46 1wmm n GLU 52 Ca -0.01 -0.37 0.00 0.00 -0.06 0.00 0.00 57.16 56.72 1wmm n GLU 52 Cb 0.26 -1.49 0.00 0.00 -0.06 0.00 0.00 31.44 30.15 1wmm n GLU 52 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1wmm n GLY 53 N 1.21 1.25 3.77 8.31 0.00 -0.86 -5.05 105.19 113.82 1wmm n GLY 53 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1wmm n GLY 53 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wmm s ASN 54 N -2.09 6.48 -0.06 1.61 0.01 -1.26 -4.75 114.94 114.88 1wmm s ASN 54 Ca 0.00 2.86 -0.29 0.00 -0.71 0.00 0.00 52.86 54.72 1wmm s ASN 54 Cb 0.00 -2.66 -0.02 0.00 0.41 0.00 0.00 41.25 38.98 1wmm s ASN 54 CO 0.00 -0.76 0.97 -0.22 -1.51 0.00 0.00 177.10 175.58 1wmm s LEU 55 N -2.05 4.30 -0.55 0.60 2.96 -1.26 -1.72 118.68 120.95 1wmm s LEU 55 Ca 0.52 1.54 -0.08 0.00 -0.22 0.00 0.00 54.13 55.90 1wmm s LEU 55 Cb -0.43 -3.51 0.14 0.00 0.50 0.00 0.00 46.19 42.89 1wmm s LEU 55 CO 0.57 -0.35 0.41 -0.76 -1.32 0.00 0.00 176.35 174.91 1wmm s LEU 56 N 1.53 5.69 0.90 -0.68 1.43 0.27 -4.96 118.68 122.87 1wmm s LEU 56 Ca 0.49 -2.26 -0.12 0.00 -1.03 0.00 0.00 54.13 51.21 1wmm s LEU 56 Cb -0.19 -1.98 0.10 0.00 0.03 0.00 0.00 46.19 44.15 1wmm s LEU 56 CO 0.22 -0.58 0.95 -1.84 0.23 0.00 0.00 176.35 175.32 1wmm n GLU 57 N 4.40 -0.28 -1.50 1.70 0.28 -1.26 -0.81 120.64 123.17 1wmm n GLU 57 Ca -0.00 -0.02 -0.33 0.00 -0.16 0.00 0.00 57.16 56.65 1wmm n GLU 57 Cb 0.41 -2.24 0.08 0.00 1.43 0.00 0.00 31.44 31.12 1wmm n GLU 57 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1wmm s PRO 58 N -4.22 2.36 -0.08 3.44 0.04 -1.26 -4.66 135.00 130.62 1wmm s PRO 58 Ca 0.65 1.50 -0.31 0.00 0.04 0.00 0.00 61.00 62.88 1wmm s PRO 58 Cb -0.24 -1.89 0.12 0.00 0.04 0.00 0.00 34.50 32.53 1wmm s PRO 58 CO 0.59 -1.61 1.00 -1.59 0.04 0.00 0.00 177.00 175.43 1wmm s LYS 59 N -4.18 0.64 -0.08 4.56 -2.85 -0.93 -2.53 119.74 114.36 1wmm s LYS 59 Ca 0.69 -0.21 -0.18 0.00 -1.00 0.00 0.00 55.97 55.27 1wmm s LYS 59 Cb -0.23 0.29 -0.05 0.00 -2.06 0.00 0.00 37.83 35.79 1wmm s LYS 59 CO 0.46 -0.27 0.47 0.42 0.10 0.00 0.00 175.35 176.53 1wmm s ILE 60 N -2.76 5.12 -0.51 3.79 1.01 -0.62 -1.36 121.20 125.87 1wmm s ILE 60 Ca 0.06 0.96 0.04 0.00 0.00 0.00 0.00 60.65 61.71 1wmm s ILE 60 Cb -0.01 -3.81 0.04 0.00 0.01 0.00 0.00 42.46 38.70 1wmm s ILE 60 CO -0.07 0.39 0.68 1.33 0.00 0.00 0.00 174.94 177.27 1wmm n VAL 61 N 3.19 0.11 0.00 2.92 0.24 -0.17 -1.59 118.33 123.03 1wmm n VAL 61 Ca -0.08 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 1wmm n VAL 61 Cb 0.52 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.91 1wmm n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wmm n GLY 62 N 0.20 0.26 2.84 7.63 0.00 -1.21 -2.73 105.19 112.18 1wmm n GLY 62 Ca 0.03 -1.07 -0.18 0.00 0.00 0.00 0.00 46.02 44.79 1wmm n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wmm s ILE 63 N -2.00 0.31 0.30 -0.61 1.01 0.45 -0.90 121.20 119.76 1wmm s ILE 63 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 60.65 60.73 1wmm s ILE 63 Cb 0.00 -0.39 -0.06 0.00 0.01 0.00 0.00 42.46 42.02 1wmm s ILE 63 CO 0.00 0.18 -0.03 -0.31 0.00 0.00 0.00 174.94 174.78 1wmm s TYR 64 N 1.06 2.03 -0.03 3.97 1.51 0.93 -0.58 117.35 126.24 1wmm s TYR 64 Ca -0.09 -0.73 0.07 0.00 -1.01 0.00 0.00 57.07 55.31 1wmm s TYR 64 Cb -0.14 -1.22 -0.02 0.00 -0.11 0.00 0.00 41.96 40.48 1wmm s TYR 64 CO -0.01 0.26 -0.25 -2.00 -1.11 0.00 0.00 175.55 172.44 1wmm s GLU 65 N -3.75 2.15 0.10 -0.62 2.12 0.39 0.24 118.70 119.32 1wmm s GLU 65 Ca 0.31 -0.89 -0.30 0.00 0.36 0.00 0.00 54.97 54.45 1wmm s GLU 65 Cb 0.05 -2.00 -0.06 0.00 0.26 0.00 0.00 34.13 32.38 1wmm s GLU 65 CO 0.13 0.50 1.12 0.08 -0.54 0.00 0.00 175.26 176.55 1wmm s VAL 66 N -0.48 4.10 -0.21 3.70 1.01 -0.04 -1.18 120.40 127.30 1wmm s VAL 66 Ca 0.06 1.62 0.05 0.00 0.00 0.00 0.00 61.98 63.71 1wmm s VAL 66 Cb -0.11 -4.04 -0.06 0.00 0.00 0.00 0.00 36.38 32.18 1wmm s VAL 66 CO 0.00 0.19 0.20 0.35 0.00 0.00 0.00 175.10 175.84 1wmm n THR 67 N 3.29 0.00 -4.31 3.92 -2.24 -0.23 -0.09 114.28 114.61 1wmm n THR 67 Ca 0.06 -0.36 -0.16 0.00 -2.27 0.00 0.00 64.05 61.32 1wmm n THR 67 Cb 0.47 0.95 -0.10 0.00 -2.10 0.00 0.00 70.33 69.55 1wmm n THR 67 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wmm s SER 68 N -1.56 1.63 0.59 3.42 1.04 -1.21 -4.87 113.70 112.74 1wmm s SER 68 Ca 0.02 -1.22 -0.12 0.00 0.48 0.00 0.00 55.95 55.11 1wmm s SER 68 Cb 0.04 0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.15 1wmm s SER 68 CO 0.20 -0.54 1.01 -1.61 0.98 0.00 0.00 173.24 173.28 1wmm s GLU 69 N -3.89 3.68 0.48 4.02 0.41 -1.26 -4.22 118.70 117.92 1wmm s GLU 69 Ca 0.28 0.79 -0.24 0.00 -0.41 0.00 0.00 54.97 55.38 1wmm s GLU 69 Cb 0.06 -2.10 -0.07 0.00 -1.78 0.00 0.00 34.13 30.24 1wmm s GLU 69 CO 0.08 -0.49 1.36 -2.14 -0.49 0.00 0.00 175.26 173.58 1wmm s PRO 70 N -4.90 3.56 0.32 0.39 0.02 -1.26 -4.68 135.00 128.44 1wmm s PRO 70 Ca 0.56 2.25 -0.07 0.00 0.02 0.00 0.00 61.00 63.76 1wmm s PRO 70 Cb -0.11 -2.52 0.01 0.00 0.02 0.00 0.00 34.50 31.90 1wmm s PRO 70 CO 0.48 -0.86 0.50 1.52 -0.33 0.00 0.00 177.00 178.31 1wmm s TYR 71 N -1.28 0.77 -0.04 6.54 -0.85 -0.28 -5.00 117.35 117.22 1wmm s TYR 71 Ca 0.64 -1.09 0.05 0.00 -0.52 0.00 0.00 57.07 56.15 1wmm s TYR 71 Cb -0.40 0.08 -0.02 0.00 0.38 0.00 0.00 41.96 42.00 1wmm s TYR 71 CO 0.50 -1.13 -0.17 0.08 -1.52 0.00 0.00 175.55 173.30 1wmm s VAL 72 N -3.26 2.79 -0.30 -3.49 1.01 -1.26 -1.35 120.40 114.54 1wmm s VAL 72 Ca 0.27 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.33 1wmm s VAL 72 Cb -0.01 -2.07 0.16 0.00 0.00 0.00 0.00 36.38 34.47 1wmm s VAL 72 CO 0.16 0.59 0.76 -0.62 0.00 0.00 0.00 175.10 175.98 1wmm s ASP 73 N -0.66 -1.01 -0.04 3.32 -1.08 -0.30 -5.00 116.67 111.90 1wmm s ASP 73 Ca 0.10 1.07 0.09 0.00 -0.52 0.00 0.00 52.55 53.30 1wmm s ASP 73 Cb -0.11 2.02 0.34 0.00 -1.46 0.00 0.00 42.92 43.71 1wmm s ASP 73 CO 0.00 -0.19 1.20 0.49 0.52 0.00 0.00 175.17 177.19 1wmm n PHE 74 N 5.34 0.64 -1.61 -5.34 3.72 -1.26 -4.20 117.46 114.74 1wmm n PHE 74 Ca -0.08 -0.27 -0.39 0.00 -0.05 0.00 0.00 57.45 56.66 1wmm n PHE 74 Cb 0.51 -0.10 0.03 0.00 -0.94 0.00 0.00 39.48 38.98 1wmm n PHE 74 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1wmm n SER 75 N 0.45 1.04 -3.61 4.37 3.41 -1.26 -4.88 113.62 113.14 1wmm n SER 75 Ca 0.12 0.92 -0.41 0.00 -0.26 0.00 0.00 58.87 59.24 1wmm n SER 75 Cb 0.43 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.01 1wmm n SER 75 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wmm n ARG 76 N -0.42 4.59 0.01 4.33 1.74 -1.26 -4.65 116.66 121.00 1wmm n ARG 76 Ca 0.11 -3.76 -0.06 0.00 -0.77 0.00 0.00 57.85 53.36 1wmm n ARG 76 Cb 0.44 -2.64 -0.12 0.00 -1.02 0.00 0.00 32.46 29.11 1wmm n ARG 76 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 1wmm h ILE 77 N 2.77 0.95 -3.83 0.55 3.07 -1.90 -3.47 117.51 115.66 1wmm h ILE 77 Ca 0.59 -2.71 -0.48 0.00 1.55 0.00 0.00 64.86 63.82 1wmm h ILE 77 Cb 0.38 2.44 0.06 0.00 -0.27 0.00 0.00 36.82 39.43 1wmm h ILE 77 CO 1.44 0.54 0.23 -0.36 -1.05 0.00 0.00 178.15 178.95 1wmm s PHE 78 N -2.68 3.28 -0.15 0.16 0.40 -1.26 -4.93 117.98 112.80 1wmm s PHE 78 Ca -0.03 0.74 0.01 0.00 -0.60 0.00 0.00 56.93 57.05 1wmm s PHE 78 Cb 0.08 -2.79 0.02 0.00 0.51 0.00 0.00 43.02 40.85 1wmm s PHE 78 CO 0.82 -0.87 -0.16 0.15 0.70 0.00 0.00 175.22 175.86 1wmm s LYS 79 N -5.06 2.42 0.00 0.44 -0.14 -1.26 -5.01 119.74 111.13 1wmm s LYS 79 Ca 0.55 -0.61 0.00 0.00 -1.36 0.00 0.00 55.97 54.54 1wmm s LYS 79 Cb -0.11 -2.16 0.00 0.00 -1.68 0.00 0.00 37.83 33.89 1wmm s LYS 79 CO 0.47 -0.20 0.00 -2.30 -0.76 0.00 0.00 175.35 172.56 1wmm n PRO 80 N 4.63 0.00 0.00 -1.68 -0.02 -1.26 -4.80 135.00 131.88 1wmm n PRO 80 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1wmm n PRO 80 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 1wmm n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wmm n GLY 83 N 4.53 0.00 3.78 -1.23 0.00 -1.26 -5.08 105.19 105.92 1wmm n GLY 83 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1wmm n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wmm s GLY 84 N 0.00 3.09 -0.32 -0.02 0.00 -1.26 -5.07 107.32 103.74 1wmm s GLY 84 Ca 0.00 -0.14 0.18 0.00 0.00 0.00 0.00 44.72 44.76 1wmm s GLY 84 CO 0.00 -2.21 0.96 0.58 0.00 0.00 0.00 173.10 172.44 1wmm n LYS 85 N -1.29 1.20 -2.41 2.90 2.85 -1.26 -5.08 118.16 115.07 1wmm n LYS 85 Ca -0.21 -3.28 -0.41 0.00 -1.05 0.00 0.00 58.31 53.36 1wmm n LYS 85 Cb 0.67 -1.28 -0.04 0.00 -0.65 0.00 0.00 35.03 33.74 1wmm n LYS 85 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1wmm s GLU 86 N -3.17 4.51 0.00 -1.58 2.56 -1.26 -4.92 118.70 114.84 1wmm s GLU 86 Ca 0.27 1.83 0.10 0.00 0.00 0.00 0.00 54.97 57.17 1wmm s GLU 86 Cb 0.45 -3.26 -0.06 0.00 2.00 0.00 0.00 34.13 33.26 1wmm s GLU 86 CO 0.03 -0.06 0.49 0.25 -0.56 0.00 0.00 175.26 175.41 1wmm n THR 87 N 2.56 0.00 -3.52 -1.70 -2.24 -1.26 -4.65 114.28 103.48 1wmm n THR 87 Ca 0.04 -0.33 -0.23 0.00 -2.27 0.00 0.00 64.05 61.27 1wmm n THR 87 Cb 0.45 1.05 0.05 0.00 -2.10 0.00 0.00 70.33 69.78 1wmm n THR 87 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1wmm n TYR 88 N -0.84 -2.13 0.26 4.78 4.01 -1.26 -4.69 117.16 117.29 1wmm n TYR 88 Ca 0.03 0.70 0.12 0.00 -0.16 0.00 0.00 57.90 58.59 1wmm n TYR 88 Cb 0.17 -3.96 0.68 0.00 -0.31 0.00 0.00 39.34 35.92 1wmm n TYR 88 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1wmm h PRO 89 N -1.59 0.00 -5.78 -0.72 0.13 -1.73 -3.35 132.00 118.96 1wmm h PRO 89 Ca -0.63 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 63.88 1wmm h PRO 89 Cb 1.34 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.35 1wmm h PRO 89 CO 0.48 0.14 0.36 0.71 -0.23 0.00 0.00 178.00 179.46 1wmm s TYR 90 N -4.13 3.02 0.16 1.56 2.02 -1.14 -1.15 117.35 117.70 1wmm s TYR 90 Ca -0.02 0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.93 1wmm s TYR 90 Cb 0.13 -3.60 -0.04 0.00 -0.40 0.00 0.00 41.96 38.05 1wmm s TYR 90 CO 0.59 -0.93 0.04 1.03 -1.57 0.00 0.00 175.55 174.72 1wmm s ARG 91 N 3.24 1.05 0.01 -0.62 0.52 -0.46 -0.78 118.95 121.90 1wmm s ARG 91 Ca 0.30 -1.51 0.01 0.00 -0.52 0.00 0.00 55.73 54.01 1wmm s ARG 91 Cb -0.12 0.01 -0.01 0.00 0.52 0.00 0.00 34.95 35.35 1wmm s ARG 91 CO 0.21 -0.22 -0.04 0.14 0.02 0.00 0.00 175.30 175.42 1wmm s VAL 92 N -3.88 0.27 0.53 3.52 -7.23 -0.73 -1.12 120.40 111.75 1wmm s VAL 92 Ca 0.26 -0.33 -0.18 0.00 -1.81 0.00 0.00 61.98 59.92 1wmm s VAL 92 Cb 0.07 -0.27 -0.07 0.00 0.56 0.00 0.00 36.38 36.68 1wmm s VAL 92 CO 0.04 -0.05 1.03 -0.54 -0.31 0.00 0.00 175.10 175.27 1wmm s LYS 93 N -0.40 3.67 0.17 4.82 -0.14 -1.26 -2.00 119.74 124.60 1wmm s LYS 93 Ca -0.02 1.21 -0.05 0.00 -1.36 0.00 0.00 55.97 55.75 1wmm s LYS 93 Cb -0.03 -2.08 -0.03 0.00 -1.68 0.00 0.00 37.83 34.01 1wmm s LYS 93 CO -0.00 -0.52 0.19 0.96 -0.76 0.00 0.00 175.35 175.22 1wmm s ILE 94 N -2.29 0.05 0.00 2.17 -4.36 -0.54 -1.07 121.20 115.16 1wmm s ILE 94 Ca 0.64 -1.71 0.00 0.00 -0.26 0.00 0.00 60.65 59.32 1wmm s ILE 94 Cb -0.15 -2.11 -0.00 0.00 1.25 0.00 0.00 42.46 41.46 1wmm s ILE 94 CO 0.28 -0.25 -0.01 -1.59 0.24 0.00 0.00 174.94 173.61 1wmm s LYS 95 N -4.05 0.07 0.48 0.37 -2.85 -0.32 -4.71 119.74 108.73 1wmm s LYS 95 Ca 0.25 -0.05 -0.22 0.00 -1.00 0.00 0.00 55.97 54.95 1wmm s LYS 95 Cb 0.05 -0.05 -0.07 0.00 -2.06 0.00 0.00 37.83 35.70 1wmm s LYS 95 CO 0.04 0.01 1.15 -1.25 0.10 0.00 0.00 175.35 175.40 1wmm s PRO 96 N -0.08 3.66 -0.02 1.78 0.04 -1.26 -0.46 135.00 138.66 1wmm s PRO 96 Ca -0.00 1.71 -0.00 0.00 0.04 0.00 0.00 61.00 62.74 1wmm s PRO 96 Cb -0.01 -2.29 -0.01 0.00 0.04 0.00 0.00 34.50 32.23 1wmm s PRO 96 CO -0.00 -0.61 -0.02 -0.89 0.04 0.00 0.00 177.00 175.51 1wmm n ILE 97 N -0.71 0.12 -3.69 0.56 5.41 0.26 -4.81 119.36 116.50 1wmm n ILE 97 Ca 0.08 -0.04 -0.11 0.00 1.00 0.00 0.00 62.75 63.68 1wmm n ILE 97 Cb 0.49 -0.84 -0.09 0.00 -0.71 0.00 0.00 39.64 38.49 1wmm n ILE 97 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1wmm s LYS 98 N -2.04 0.54 -0.17 0.38 2.47 -0.93 -5.00 119.74 115.00 1wmm s LYS 98 Ca -0.03 0.82 0.01 0.00 -1.56 0.00 0.00 55.97 55.21 1wmm s LYS 98 Cb 0.01 0.15 0.02 0.00 -1.46 0.00 0.00 37.83 36.55 1wmm s LYS 98 CO 0.05 -0.12 -0.17 0.42 0.16 0.00 0.00 175.35 175.69 1wmm s ILE 99 N 0.90 1.85 0.00 5.43 1.01 -1.26 -0.41 121.20 128.72 1wmm s ILE 99 Ca -0.05 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.78 1wmm s ILE 99 Cb -0.06 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.72 1wmm s ILE 99 CO -0.08 0.50 0.00 0.61 0.00 0.00 0.00 174.94 175.97 1wmm n GLY 100 N 4.68 0.91 3.38 6.18 0.00 -1.11 -4.99 105.19 114.25 1wmm n GLY 100 Ca -0.19 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 1wmm n GLY 100 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wmm s GLU 101 N -2.00 2.24 0.00 1.61 -1.05 -1.26 -3.28 118.70 114.96 1wmm s GLU 101 Ca 0.00 -0.85 0.01 0.00 -0.15 0.00 0.00 54.97 53.98 1wmm s GLU 101 Cb 0.00 -2.17 -0.00 0.00 -0.44 0.00 0.00 34.13 31.51 1wmm s GLU 101 CO 0.00 0.58 -0.04 0.96 0.95 0.00 0.00 175.26 177.71 1wmm s ILE 102 N -0.69 0.28 0.44 1.83 -4.36 -0.62 -4.99 121.20 113.10 1wmm s ILE 102 Ca 0.11 -0.22 -0.25 0.00 -0.26 0.00 0.00 60.65 60.02 1wmm s ILE 102 Cb -0.10 -0.25 -0.08 0.00 1.25 0.00 0.00 42.46 43.27 1wmm s ILE 102 CO 0.00 0.03 1.41 0.20 0.24 0.00 0.00 174.94 176.82 1wmm s ASN 103 N -0.21 5.96 -0.03 4.36 0.01 -1.26 -1.59 114.94 122.18 1wmm s ASN 103 Ca 0.00 2.87 -0.15 0.00 -0.71 0.00 0.00 52.86 54.88 1wmm s ASN 103 Cb -0.02 -2.65 -0.32 0.00 0.41 0.00 0.00 41.25 38.67 1wmm s ASN 103 CO -0.00 -1.11 0.79 0.15 -1.51 0.00 0.00 177.10 175.42 1wmm h PHE 104 N 2.40 0.76 -0.59 2.20 3.57 -1.83 -3.40 116.94 120.06 1wmm h PHE 104 Ca -0.51 -0.56 0.12 0.00 3.53 0.00 0.00 57.97 60.56 1wmm h PHE 104 Cb 1.26 -0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.88 1wmm h PHE 104 CO 0.51 1.59 0.05 0.87 -2.23 0.00 0.00 178.31 179.09 1wmm h LYS 105 N 0.02 0.16 0.00 1.11 1.57 -1.93 -0.35 116.57 117.14 1wmm h LYS 105 Ca -0.29 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1wmm h LYS 105 Cb 2.03 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.31 1wmm h LYS 105 CO 0.20 0.10 0.20 -1.35 -0.57 0.00 0.00 179.45 178.03 1wmm h PRO 106 N 0.16 0.00 0.00 3.15 0.11 -1.98 0.65 132.00 134.09 1wmm h PRO 106 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1wmm h PRO 106 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1wmm h PRO 106 CO -0.47 0.00 -0.75 1.28 -0.21 0.00 0.00 178.00 177.85 1wmm n LEU 107 N -2.64 0.74 -0.14 2.35 4.77 -0.15 -4.52 117.00 117.42 1wmm n LEU 107 Ca -0.02 -0.24 -0.04 0.00 -0.03 0.00 0.00 56.01 55.69 1wmm n LEU 107 Cb 0.25 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1wmm n LEU 107 CO 0.12 0.18 0.77 0.40 -1.33 0.00 0.00 177.39 177.54 1wmm h ILE 108 N 0.00 0.53 -0.75 -0.08 2.04 -0.83 -2.18 117.51 116.25 1wmm h ILE 108 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1wmm h ILE 108 Cb 0.50 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 1wmm h ILE 108 CO 0.00 0.00 0.49 0.78 0.00 0.00 0.00 178.15 179.42 1wmm h ASN 109 N -0.01 0.78 0.26 1.72 2.35 -1.79 -2.26 115.58 116.62 1wmm h ASN 109 Ca 0.22 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1wmm h ASN 109 Cb 0.34 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1wmm h ASN 109 CO -0.47 0.53 -0.10 0.47 -1.65 0.00 0.00 177.43 176.22 1wmm n ASP 110 N -4.45 0.62 -4.59 5.81 8.00 -0.86 -4.83 116.55 116.25 1wmm n ASP 110 Ca 0.10 -0.78 -0.42 0.00 0.71 0.00 0.00 54.79 54.39 1wmm n ASP 110 Cb 0.13 -0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.14 1wmm n ASP 110 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wmm s LEU 111 N -2.36 4.16 0.12 0.64 1.43 -0.85 -4.96 118.68 116.85 1wmm s LEU 111 Ca 0.32 0.35 -0.21 0.00 -1.03 0.00 0.00 54.13 53.56 1wmm s LEU 111 Cb 0.20 -2.96 -0.06 0.00 0.03 0.00 0.00 46.19 43.41 1wmm s LEU 111 CO 0.45 -0.67 1.72 0.50 0.23 0.00 0.00 176.35 178.58 1wmm h LYS 112 N 8.41 0.04 0.00 1.70 3.64 -1.88 -2.59 116.57 125.89 1wmm h LYS 112 Ca -0.25 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1wmm h LYS 112 Cb 1.10 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1wmm h LYS 112 CO 0.88 0.03 0.07 0.27 -2.27 0.00 0.00 179.45 178.42 1wmm h PHE 113 N 0.04 0.00 -3.07 1.91 -0.00 -1.96 -3.34 116.94 110.52 1wmm h PHE 113 Ca 0.07 0.00 -0.73 0.00 -0.00 0.00 0.00 57.97 57.31 1wmm h PHE 113 Cb 0.09 0.00 -0.21 0.00 -0.00 0.00 0.00 35.95 35.83 1wmm h PHE 113 CO -0.16 0.00 0.32 0.42 -0.00 0.00 0.00 178.31 178.89 1wmm s ILE 114 N -3.90 5.07 -0.01 0.88 1.01 -0.98 -4.90 121.20 118.37 1wmm s ILE 114 Ca -0.04 -1.69 -0.21 0.00 0.00 0.00 0.00 60.65 58.71 1wmm s ILE 114 Cb 0.10 -4.57 -0.12 0.00 0.01 0.00 0.00 42.46 37.87 1wmm s ILE 114 CO 0.30 -1.20 0.91 0.11 0.00 0.00 0.00 174.94 175.06 1wmm h LYS 115 N 8.59 -0.64 -5.65 2.79 6.56 -1.83 -3.40 116.57 122.98 1wmm h LYS 115 Ca -0.02 0.04 -0.61 0.00 -1.06 0.00 0.00 60.65 59.00 1wmm h LYS 115 Cb 1.05 0.15 -0.13 0.00 -0.57 0.00 0.00 32.23 32.73 1wmm h LYS 115 CO 0.98 -0.38 0.73 1.21 -2.06 0.00 0.00 179.45 179.94 1wmm s ASN 116 N -4.80 6.22 0.21 0.86 3.84 -1.26 -4.88 114.94 115.13 1wmm s ASN 116 Ca -0.11 -0.97 -0.06 0.00 0.21 0.00 0.00 52.86 51.92 1wmm s ASN 116 Cb 0.01 -2.46 0.18 0.00 -0.55 0.00 0.00 41.25 38.43 1wmm s ASN 116 CO 0.37 -1.51 1.69 0.11 -2.79 0.00 0.00 177.10 174.97 1wmm h LYS 117 N 9.63 0.96 -0.44 0.43 1.79 -1.95 -0.58 116.57 126.41 1wmm h LYS 117 Ca -0.23 -0.29 -0.07 0.00 -2.18 0.00 0.00 60.65 57.89 1wmm h LYS 117 Cb 1.06 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.60 1wmm h LYS 117 CO 1.21 0.95 0.01 -0.22 -1.08 0.00 0.00 179.45 180.32 1wmm h LYS 118 N 0.88 0.77 -1.75 3.15 3.64 -1.98 -3.19 116.57 118.08 1wmm h LYS 118 Ca 0.16 -0.24 -0.64 0.00 -1.27 0.00 0.00 60.65 58.66 1wmm h LYS 118 Cb 0.52 -0.07 -0.38 0.00 -0.41 0.00 0.00 32.23 31.89 1wmm h LYS 118 CO 0.03 0.83 -0.24 0.54 -2.27 0.00 0.00 179.45 178.34 1wmm n ARG 119 N -4.41 3.34 0.22 1.90 1.74 -1.18 -4.84 116.66 113.43 1wmm n ARG 119 Ca -0.00 -4.33 0.15 0.00 -0.77 0.00 0.00 57.85 52.89 1wmm n ARG 119 Cb 0.29 -2.26 0.80 0.00 -1.02 0.00 0.00 32.46 30.26 1wmm n ARG 119 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 1wmm h TRP 120 N 2.79 0.00 -0.59 -1.55 5.08 -1.09 -1.02 115.95 119.57 1wmm h TRP 120 Ca 0.35 0.00 0.17 0.00 1.08 0.00 0.00 58.89 60.49 1wmm h TRP 120 Cb 0.64 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.78 1wmm h TRP 120 CO 0.93 0.00 0.49 0.66 -1.28 0.00 0.00 178.44 179.24 1wmm h SER 121 N 0.00 0.00 -0.56 0.11 4.64 -1.88 0.15 113.55 116.01 1wmm h SER 121 Ca 0.06 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.54 1wmm h SER 121 Cb 0.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 1wmm h SER 121 CO -0.00 0.00 0.43 -0.03 -0.87 0.00 0.00 176.83 176.36 1wmm h MET 122 N 0.00 0.00 -0.01 4.77 1.85 -1.53 0.16 114.93 120.17 1wmm h MET 122 Ca 0.28 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.37 1wmm h MET 122 Cb 1.26 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.29 1wmm h MET 122 CO -0.00 0.00 -0.14 0.72 -0.40 0.00 0.00 176.91 177.09 1wmm n HIS 123 N -4.19 0.00 -0.02 1.39 8.25 0.51 -3.91 115.22 117.26 1wmm n HIS 123 Ca 0.10 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.56 1wmm n HIS 123 Cb 0.66 -0.10 -0.04 0.00 1.12 0.00 0.00 29.99 31.63 1wmm n HIS 123 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1wmm n PHE 124 N -0.55 0.00 -1.66 4.41 3.01 0.19 -4.98 117.46 117.87 1wmm n PHE 124 Ca 0.15 0.00 -0.65 0.00 1.01 0.00 0.00 57.45 57.96 1wmm n PHE 124 Cb 0.32 -0.20 -0.10 0.00 -0.01 0.00 0.00 39.48 39.49 1wmm n PHE 124 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1wmm n PHE 125 N -2.01 1.67 -2.20 1.38 7.35 0.31 -1.38 117.46 122.58 1wmm n PHE 125 Ca -0.06 1.09 -0.20 0.00 -0.76 0.00 0.00 57.45 57.53 1wmm n PHE 125 Cb 0.48 -2.17 -0.03 0.00 0.35 0.00 0.00 39.48 38.11 1wmm n PHE 125 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1wmm n GLY 126 N 4.14 0.08 3.33 7.13 0.00 -1.26 -4.99 105.19 113.62 1wmm n GLY 126 Ca 0.32 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 1wmm n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wmm s LYS 127 N -4.71 1.85 -0.10 1.61 1.02 -0.48 -5.01 119.74 113.92 1wmm s LYS 127 Ca 0.00 -1.05 -0.07 0.00 0.02 0.00 0.00 55.97 54.87 1wmm s LYS 127 Cb 0.00 -1.96 -0.27 0.00 -0.52 0.00 0.00 37.83 35.07 1wmm s LYS 127 CO 0.00 0.52 0.47 0.00 -0.92 0.00 0.00 175.35 175.41 1wmm h ALA 128 N 4.98 0.37 -2.38 5.17 0.00 -1.89 -3.44 119.26 122.06 1wmm h ALA 128 Ca -0.45 -1.32 -0.05 0.00 0.00 0.00 0.00 54.91 53.08 1wmm h ALA 128 Cb 1.14 0.63 -0.17 0.00 0.00 0.00 0.00 17.79 19.39 1wmm h ALA 128 CO 0.44 1.24 0.15 0.00 0.00 0.00 0.00 179.25 181.09 1wmm s MET 129 N -2.57 1.10 0.05 0.00 0.00 -1.26 -0.30 119.30 116.33 1wmm s MET 129 Ca -0.20 -0.05 -0.10 0.00 0.00 0.00 0.00 55.69 55.35 1wmm s MET 129 Cb 0.06 0.51 0.00 0.00 0.00 0.00 0.00 34.83 35.41 1wmm s MET 129 CO 0.80 -0.40 0.21 -0.98 0.00 0.00 0.00 175.02 174.65 1wmm s ARG 130 N -2.13 0.73 0.53 3.16 1.70 -0.90 -4.99 118.95 117.05 1wmm s ARG 130 Ca -0.07 -0.68 -0.21 0.00 -0.47 0.00 0.00 55.73 54.31 1wmm s ARG 130 Cb -0.01 0.30 -0.06 0.00 -0.57 0.00 0.00 34.95 34.62 1wmm s ARG 130 CO 0.01 -0.22 1.20 -2.00 -1.08 0.00 0.00 175.30 173.21 1wmm s GLU 131 N -2.80 3.37 -0.11 3.89 2.12 -1.26 -1.71 118.70 122.19 1wmm s GLU 131 Ca -0.03 1.82 0.04 0.00 0.36 0.00 0.00 54.97 57.15 1wmm s GLU 131 Cb 0.00 -2.17 0.00 0.00 0.26 0.00 0.00 34.13 32.23 1wmm s GLU 131 CO -0.05 -0.89 -0.23 -0.51 -0.54 0.00 0.00 175.26 173.04 1wmm s LEU 132 N -3.55 2.09 0.57 2.70 1.43 0.54 -4.83 118.68 117.63 1wmm s LEU 132 Ca 0.71 -0.57 -0.20 0.00 -1.03 0.00 0.00 54.13 53.03 1wmm s LEU 132 Cb -0.30 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1wmm s LEU 132 CO 0.34 0.14 1.27 -2.16 0.23 0.00 0.00 176.35 176.18 1wmm s PRO 133 N 0.46 3.06 0.31 1.29 0.04 -1.26 -4.29 135.00 134.60 1wmm s PRO 133 Ca -0.16 2.01 0.08 0.00 0.04 0.00 0.00 61.00 62.97 1wmm s PRO 133 Cb -0.17 -2.10 0.83 0.00 0.04 0.00 0.00 34.50 33.10 1wmm s PRO 133 CO 0.06 -1.19 1.72 1.49 0.04 0.00 0.00 177.00 179.13 1wmm h GLU 134 N 1.19 0.52 -0.18 4.56 4.81 -1.99 -1.32 114.58 122.17 1wmm h GLU 134 Ca -0.51 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 58.74 1wmm h GLU 134 Cb 1.30 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 30.51 1wmm h GLU 134 CO 0.56 0.35 -0.18 0.93 -0.73 0.00 0.00 179.01 179.94 1wmm h GLU 135 N 0.54 -0.20 -0.80 1.92 5.08 -2.00 -0.76 114.58 118.37 1wmm h GLU 135 Ca 0.62 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 59.03 1wmm h GLU 135 Cb 1.16 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 1wmm h GLU 135 CO -0.49 -0.13 0.51 -0.44 -1.00 0.00 0.00 179.01 177.46 1wmm h ASP 136 N -0.20 0.83 0.24 1.42 3.45 -1.60 -1.34 116.42 119.22 1wmm h ASP 136 Ca 0.11 -0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.56 1wmm h ASP 136 Cb 0.37 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 38.96 1wmm h ASP 136 CO -0.30 0.57 -0.11 0.22 -1.57 0.00 0.00 179.24 178.05 1wmm h TYR 137 N 0.98 -0.30 -0.69 4.55 3.20 -1.07 -2.03 116.97 121.61 1wmm h TYR 137 Ca 0.32 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.27 1wmm h TYR 137 Cb 0.03 0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.33 1wmm h TYR 137 CO -0.03 -0.15 0.36 0.87 -1.64 0.00 0.00 178.16 177.57 1wmm h LYS 138 N -0.37 0.61 -0.45 1.82 1.79 -0.88 0.46 116.57 119.56 1wmm h LYS 138 Ca -0.03 -0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.46 1wmm h LYS 138 Cb 0.28 -0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 30.74 1wmm h LYS 138 CO 0.05 0.40 0.16 1.25 -1.08 0.00 0.00 179.45 180.23 1wmm h LEU 139 N 0.63 0.16 -0.42 2.94 5.85 -1.06 -1.32 115.31 122.10 1wmm h LEU 139 Ca 0.33 0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.98 1wmm h LEU 139 Cb 0.30 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1wmm h LEU 139 CO -0.24 0.13 -0.21 0.40 -0.34 0.00 0.00 178.44 178.18 1wmm h ILE 140 N 0.33 1.28 -0.67 4.05 2.04 -0.48 -2.87 117.51 121.19 1wmm h ILE 140 Ca 0.21 -1.35 0.04 0.00 1.00 0.00 0.00 64.86 64.76 1wmm h ILE 140 Cb 0.21 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 1wmm h ILE 140 CO -0.21 0.46 0.39 -0.08 0.00 0.00 0.00 178.15 178.70 1wmm h GLU 141 N 0.69 0.73 0.08 2.37 4.81 0.32 -2.13 114.58 121.45 1wmm h GLU 141 Ca 0.09 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1wmm h GLU 141 Cb 0.77 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1wmm h GLU 141 CO 0.06 0.48 -0.04 0.87 -0.73 0.00 0.00 179.01 179.65 1wmm h LYS 142 N 0.75 -0.10 0.00 1.92 6.56 -1.20 -1.87 116.57 122.62 1wmm h LYS 142 Ca 0.28 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.88 1wmm h LYS 142 Cb 0.10 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.79 1wmm h LYS 142 CO -0.14 0.07 0.00 1.28 -2.06 0.00 0.00 179.45 178.60 1wmm n LEU 143 N -5.06 0.02 -0.46 2.94 4.77 -1.09 -1.93 117.00 116.19 1wmm n LEU 143 Ca -0.08 0.51 0.06 0.00 -0.03 0.00 0.00 56.01 56.47 1wmm n LEU 143 Cb 0.13 -0.51 0.05 0.00 -2.33 0.00 0.00 43.42 40.76 1wmm n LEU 143 CO 0.33 -0.38 0.43 -0.11 -1.33 0.00 0.00 177.39 176.34 1wmm n LEU 144 N -1.53 1.96 0.00 2.23 7.94 -0.81 -4.96 117.00 121.83 1wmm n LEU 144 Ca 0.02 -0.99 0.08 0.00 -1.11 0.00 0.00 56.01 54.01 1wmm n LEU 144 Cb 0.10 0.00 0.49 0.00 0.53 0.00 0.00 43.42 44.53 1wmm n LEU 144 CO 0.08 0.37 0.69 -0.11 -1.11 0.00 0.00 177.39 177.31