#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdr s ARG 9 N 0.00 3.84 0.58 3.69 0.52 -1.26 -5.07 118.95 121.24 2wdr s ARG 9 Ca 0.00 1.01 -0.04 0.00 -0.52 0.00 0.00 55.73 56.18 2wdr s ARG 9 Cb 0.00 -2.12 0.02 0.00 0.52 0.00 0.00 34.95 33.37 2wdr s ARG 9 CO 0.00 -0.37 0.86 -1.25 0.02 0.00 0.00 175.30 174.56 2wdr s PRO 10 N -4.04 2.81 -0.03 3.54 0.04 -1.26 -5.12 135.00 130.94 2wdr s PRO 10 Ca 0.60 -0.20 -0.05 0.00 0.04 0.00 0.00 61.00 61.39 2wdr s PRO 10 Cb -0.11 -2.33 0.01 0.00 0.04 0.00 0.00 34.50 32.10 2wdr s PRO 10 CO 0.32 -0.70 0.12 0.14 0.04 0.00 0.00 177.00 176.92 2wdr s VAL 11 N -2.92 0.03 -0.96 -0.36 -7.23 -1.26 -5.09 120.40 102.61 2wdr s VAL 11 Ca 0.54 -0.27 -0.23 0.00 -1.81 0.00 0.00 61.98 60.21 2wdr s VAL 11 Cb -0.10 -0.27 0.06 0.00 0.56 0.00 0.00 36.38 36.63 2wdr s VAL 11 CO 0.43 -0.15 1.35 0.21 -0.31 0.00 0.00 175.10 176.63 2wdr s ASN 12 N -0.47 6.47 -0.10 4.85 2.47 -1.26 -4.69 114.94 122.20 2wdr s ASN 12 Ca -0.06 -1.42 0.15 0.00 0.42 0.00 0.00 52.86 51.95 2wdr s ASN 12 Cb -0.04 -2.53 0.31 0.00 -1.45 0.00 0.00 41.25 37.54 2wdr s ASN 12 CO 0.01 -1.47 1.15 -0.11 -3.72 0.00 0.00 177.10 172.96 2wdr n LEU 13 N 8.47 1.70 -4.56 3.21 7.94 -1.26 -4.99 117.00 127.52 2wdr n LEU 13 Ca 0.26 -2.70 -0.24 0.00 -1.11 0.00 0.00 56.01 52.23 2wdr n LEU 13 Cb 0.50 -0.28 -0.05 0.00 0.53 0.00 0.00 43.42 44.12 2wdr n LEU 13 CO 0.64 0.80 1.33 -0.62 -1.11 0.00 0.00 177.39 178.42 2wdr s ASP 14 N -2.43 4.79 0.60 1.96 -1.08 -1.26 -4.82 116.67 114.43 2wdr s ASP 14 Ca 0.28 -0.42 0.29 0.00 -0.52 0.00 0.00 52.55 52.18 2wdr s ASP 14 Cb 0.28 -2.56 1.44 0.00 -1.46 0.00 0.00 42.92 40.62 2wdr s ASP 14 CO -0.06 -3.05 1.85 -0.07 0.52 0.00 0.00 175.17 174.37 2wdr h LEU 15 N 19.13 0.00 -0.41 -1.34 3.38 -1.98 0.84 115.31 134.93 2wdr h LEU 15 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2wdr h LEU 15 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2wdr h LEU 15 CO 1.15 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.68 2wdr n GLN 16 N -3.62 0.21 -0.66 1.13 6.02 -1.26 -3.12 117.38 116.09 2wdr n GLN 16 Ca 0.09 0.33 0.09 0.00 -0.01 0.00 0.00 57.00 57.50 2wdr n GLN 16 Cb 0.72 -1.83 0.36 0.00 1.02 0.00 0.00 30.24 30.51 2wdr n GLN 16 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2wdr n THR 17 N -2.22 2.01 -5.10 5.09 -2.24 0.29 -4.95 114.28 107.16 2wdr n THR 17 Ca 0.04 -1.26 -0.30 0.00 -2.27 0.00 0.00 64.05 60.26 2wdr n THR 17 Cb 0.31 0.05 -0.16 0.00 -2.10 0.00 0.00 70.33 68.42 2wdr n THR 17 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2wdr s ILE 18 N -2.03 1.83 0.41 2.28 1.01 -1.18 -5.11 121.20 118.40 2wdr s ILE 18 Ca 0.51 -0.92 -0.24 0.00 0.00 0.00 0.00 60.65 60.00 2wdr s ILE 18 Cb 0.34 -1.56 -0.09 0.00 0.01 0.00 0.00 42.46 41.16 2wdr s ILE 18 CO 0.23 0.51 1.08 -0.13 0.00 0.00 0.00 174.94 176.63 2wdr s ARG 19 N 0.06 4.11 -0.06 2.79 1.81 -1.26 -5.06 118.95 121.34 2wdr s ARG 19 Ca -0.08 1.59 0.01 0.00 -1.72 0.00 0.00 55.73 55.52 2wdr s ARG 19 Cb -0.14 -2.55 0.02 0.00 -0.45 0.00 0.00 34.95 31.83 2wdr s ARG 19 CO 0.04 -0.21 -0.05 -0.06 -0.68 0.00 0.00 175.30 174.34 2wdr s PHE 20 N -1.61 0.91 1.04 -0.53 0.08 -1.26 -5.15 117.98 111.46 2wdr s PHE 20 Ca 0.58 -0.30 -0.14 0.00 0.12 0.00 0.00 56.93 57.19 2wdr s PHE 20 Cb -0.24 -0.80 0.21 0.00 -0.57 0.00 0.00 43.02 41.62 2wdr s PHE 20 CO 0.30 -0.26 1.10 -2.14 -0.10 0.00 0.00 175.22 174.12 2wdr s PRO 21 N 1.15 0.08 0.38 0.24 0.02 -1.26 -4.81 135.00 130.80 2wdr s PRO 21 Ca -0.07 0.36 0.07 0.00 0.02 0.00 0.00 61.00 61.38 2wdr s PRO 21 Cb -0.14 -1.71 0.75 0.00 0.02 0.00 0.00 34.50 33.42 2wdr s PRO 21 CO -0.01 -2.93 1.94 0.97 -0.33 0.00 0.00 177.00 176.63 2wdr h ILE 22 N -2.03 1.16 -0.47 2.83 2.10 -1.99 -1.87 117.51 117.25 2wdr h ILE 22 Ca -0.53 -0.64 -0.05 0.00 1.08 0.00 0.00 64.86 64.72 2wdr h ILE 22 Cb 1.33 0.98 -0.02 0.00 -1.09 0.00 0.00 36.82 38.02 2wdr h ILE 22 CO 0.54 0.22 0.08 0.71 -1.08 0.00 0.00 178.15 178.62 2wdr h THR 23 N 0.37 1.21 -0.24 2.19 1.35 -1.92 -0.21 112.91 115.67 2wdr h THR 23 Ca 0.08 -0.80 -0.14 0.00 -0.55 0.00 0.00 66.41 65.00 2wdr h THR 23 Cb 0.27 0.77 -0.00 0.00 -1.73 0.00 0.00 68.15 67.45 2wdr h THR 23 CO 0.01 0.29 -0.40 0.00 -0.25 0.00 0.00 175.52 175.16 2wdr h ALA 24 N 1.40 0.38 -0.34 6.62 0.00 -1.70 -2.85 119.26 122.76 2wdr h ALA 24 Ca 0.15 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.65 2wdr h ALA 24 Cb 0.31 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2wdr h ALA 24 CO 0.00 0.48 0.11 0.82 0.00 0.00 0.00 179.25 180.67 2wdr h ILE 25 N 0.43 0.90 -0.68 0.00 1.08 -1.20 -2.50 117.51 115.53 2wdr h ILE 25 Ca 0.02 -0.09 0.13 0.00 -0.39 0.00 0.00 64.86 64.53 2wdr h ILE 25 Cb 1.00 0.62 -0.09 0.00 -3.07 0.00 0.00 36.82 35.28 2wdr h ILE 25 CO 0.09 0.05 0.22 0.00 -0.69 0.00 0.00 178.15 177.82 2wdr h ALA 26 N 1.22 0.89 0.07 1.87 0.00 -0.81 -1.70 119.26 120.80 2wdr h ALA 26 Ca 0.15 0.12 -0.27 0.00 0.00 0.00 0.00 54.91 54.92 2wdr h ALA 26 Cb 0.13 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2wdr h ALA 26 CO -0.16 -0.25 -1.32 0.66 0.00 0.00 0.00 179.25 178.18 2wdr h SER 27 N 0.36 0.24 -0.75 0.00 4.64 -1.43 -2.50 113.55 114.11 2wdr h SER 27 Ca 0.37 -0.29 0.10 0.00 -0.47 0.00 0.00 61.79 61.49 2wdr h SER 27 Cb 0.55 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 62.51 2wdr h SER 27 CO -0.40 1.24 0.49 -0.29 -0.87 0.00 0.00 176.83 177.00 2wdr h ILE 28 N 0.04 0.92 -0.30 0.95 6.09 -0.98 0.17 117.51 124.40 2wdr h ILE 28 Ca -0.15 -0.21 -0.16 0.00 -1.37 0.00 0.00 64.86 62.96 2wdr h ILE 28 Cb 1.93 0.24 -0.00 0.00 0.47 0.00 0.00 36.82 39.46 2wdr h ILE 28 CO 0.15 0.11 -0.43 -0.07 -3.07 0.00 0.00 178.15 174.84 2wdr h LEU 29 N 0.62 0.91 -1.14 2.19 3.38 -1.35 -2.07 115.31 117.85 2wdr h LEU 29 Ca 0.35 -0.51 0.08 0.00 0.09 0.00 0.00 57.88 57.89 2wdr h LEU 29 Cb 0.51 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 2wdr h LEU 29 CO -0.12 1.23 0.59 -0.74 0.09 0.00 0.00 178.44 179.49 2wdr h HIS 30 N 0.60 1.03 -0.11 1.13 2.76 -0.39 0.35 115.15 120.52 2wdr h HIS 30 Ca 0.03 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.20 2wdr h HIS 30 Cb 1.03 -0.34 -0.00 0.00 1.55 0.00 0.00 27.41 29.65 2wdr h HIS 30 CO 0.07 0.50 -0.04 -0.09 -1.30 0.00 0.00 177.93 177.07 2wdr h ARG 31 N 0.98 0.23 -0.13 5.26 2.43 -0.67 -2.14 114.38 120.34 2wdr h ARG 31 Ca 0.41 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 2wdr h ARG 31 Cb 0.31 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2wdr h ARG 31 CO -0.17 0.56 0.09 0.28 -1.51 0.00 0.00 179.97 179.21 2wdr h VAL 32 N -0.11 1.04 -0.48 0.20 2.07 -0.63 -2.32 116.25 116.02 2wdr h VAL 32 Ca 0.03 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.51 2wdr h VAL 32 Cb 0.48 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2wdr h VAL 32 CO 0.01 0.04 0.32 0.77 0.02 0.00 0.00 177.57 178.73 2wdr h SER 33 N 0.17 0.41 -0.03 0.57 4.64 -0.35 -1.07 113.55 117.89 2wdr h SER 33 Ca 0.05 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2wdr h SER 33 Cb -0.01 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 61.99 2wdr h SER 33 CO -0.01 0.27 0.00 1.23 -0.87 0.00 0.00 176.83 177.46 2wdr h GLY 34 N 0.47 0.06 0.97 -0.77 0.00 -1.02 -1.30 103.07 101.48 2wdr h GLY 34 Ca 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 2wdr h GLY 34 CO -0.05 0.04 0.20 -2.08 0.00 0.00 0.00 176.54 174.65 2wdr h VAL 35 N -0.21 1.14 -0.38 4.60 2.07 -0.85 -1.77 116.25 120.84 2wdr h VAL 35 Ca 0.01 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 67.22 2wdr h VAL 35 Cb 0.29 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 2wdr h VAL 35 CO 0.00 0.15 0.06 0.40 0.02 0.00 0.00 177.57 178.20 2wdr h ILE 36 N 0.47 0.79 -0.03 4.57 2.04 -1.23 -0.88 117.51 123.24 2wdr h ILE 36 Ca 0.13 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.94 2wdr h ILE 36 Cb 0.05 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 2wdr h ILE 36 CO -0.02 0.03 0.03 0.74 0.00 0.00 0.00 178.15 178.93 2wdr h THR 37 N 0.18 0.86 -0.34 -0.27 2.02 -0.74 -0.36 112.91 114.26 2wdr h THR 37 Ca 0.18 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.35 2wdr h THR 37 Cb 0.23 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 2wdr h THR 37 CO -0.26 0.00 0.15 0.15 0.37 0.00 0.00 175.52 175.94 2wdr h PHE 38 N 0.00 0.50 -0.36 3.16 3.57 -0.30 -2.22 116.94 121.29 2wdr h PHE 38 Ca 0.02 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 2wdr h PHE 38 Cb 0.07 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 2wdr h PHE 38 CO 0.00 0.45 0.08 0.28 -2.23 0.00 0.00 178.31 176.89 2wdr h VAL 39 N 0.41 1.23 -0.46 1.41 2.07 -1.23 -3.20 116.25 116.48 2wdr h VAL 39 Ca 0.11 -0.79 0.13 0.00 0.82 0.00 0.00 66.70 66.98 2wdr h VAL 39 Cb 0.15 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2wdr h VAL 39 CO -0.01 0.27 0.34 0.00 0.02 0.00 0.00 177.57 178.19 2wdr h ALA 40 N 0.92 2.40 -0.40 1.67 0.00 -0.79 -2.12 119.26 120.94 2wdr h ALA 40 Ca 0.11 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2wdr h ALA 40 Cb 0.32 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2wdr h ALA 40 CO 0.00 -0.58 -0.22 0.28 0.00 0.00 0.00 179.25 178.73 2wdr h VAL 41 N 0.00 1.27 -0.23 0.00 2.07 -1.40 0.51 116.25 118.47 2wdr h VAL 41 Ca 0.22 -1.34 -0.11 0.00 0.82 0.00 0.00 66.70 66.29 2wdr h VAL 41 Cb 0.90 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2wdr h VAL 41 CO -0.00 0.45 -0.27 1.23 0.02 0.00 0.00 177.57 179.00 2wdr h GLY 42 N 0.95 0.65 0.98 2.17 0.00 -1.53 0.50 103.07 106.79 2wdr h GLY 42 Ca 0.10 -0.69 -0.02 0.00 0.00 0.00 0.00 47.33 46.72 2wdr h GLY 42 CO 0.06 0.62 0.25 -2.22 0.00 0.00 0.00 176.54 175.25 2wdr h ILE 43 N 0.30 1.19 -0.64 2.60 2.04 -1.35 0.91 117.51 122.56 2wdr h ILE 43 Ca 0.03 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 2wdr h ILE 43 Cb 0.84 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 2wdr h ILE 43 CO 0.07 0.21 0.24 -0.07 0.00 0.00 0.00 178.15 178.60 2wdr h LEU 44 N 0.67 0.86 -0.17 1.44 3.38 0.07 -2.64 115.31 118.91 2wdr h LEU 44 Ca 0.17 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2wdr h LEU 44 Cb 0.10 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 2wdr h LEU 44 CO -0.02 0.78 -0.09 -0.07 0.09 0.00 0.00 178.44 179.12 2wdr h LEU 45 N 0.92 0.38 -1.25 1.67 3.38 -0.49 -1.15 115.31 118.77 2wdr h LEU 45 Ca 0.21 -0.42 0.17 0.00 0.09 0.00 0.00 57.88 57.93 2wdr h LEU 45 Cb 0.19 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.76 2wdr h LEU 45 CO -0.02 0.72 0.59 -0.25 0.09 0.00 0.00 178.44 179.57 2wdr h TRP 46 N 0.04 0.84 0.14 1.13 7.01 -0.71 0.23 115.95 124.63 2wdr h TRP 46 Ca 0.04 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 2wdr h TRP 46 Cb 0.58 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 27.38 2wdr h TRP 46 CO 0.07 0.27 -0.07 1.25 -2.79 0.00 0.00 178.44 177.16 2wdr h LEU 47 N 0.67 -0.16 -1.34 0.65 5.85 -1.38 -2.93 115.31 116.68 2wdr h LEU 47 Ca 0.49 -0.39 0.17 0.00 0.84 0.00 0.00 57.88 58.99 2wdr h LEU 47 Cb 0.84 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.84 2wdr h LEU 47 CO -0.24 0.41 0.59 0.25 -0.34 0.00 0.00 178.44 179.10 2wdr h LEU 48 N -0.84 0.58 -0.15 2.25 5.85 -0.61 -1.47 115.31 120.91 2wdr h LEU 48 Ca -0.02 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2wdr h LEU 48 Cb 0.54 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2wdr h LEU 48 CO 0.03 0.26 0.04 1.23 -0.34 0.00 0.00 178.44 179.66 2wdr h GLY 49 N 0.59 0.26 0.43 3.75 0.00 -0.62 -3.07 103.07 104.41 2wdr h GLY 49 Ca 0.47 -0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.67 2wdr h GLY 49 CO -0.22 0.15 -0.25 -0.84 0.00 0.00 0.00 176.54 175.38 2wdr h THR 50 N 0.04 0.43 0.00 4.70 2.02 -1.15 -2.89 112.91 116.07 2wdr h THR 50 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.23 2wdr h THR 50 Cb 0.26 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 2wdr h THR 50 CO 0.00 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.35 2wdr n SER 51 N -5.37 0.42 0.00 4.18 3.41 -0.63 -2.50 113.62 113.13 2wdr n SER 51 Ca -0.05 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 2wdr n SER 51 Cb 0.28 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 2wdr n SER 51 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wdr n LEU 52 N 0.17 0.00 0.12 1.04 4.77 -1.10 -4.61 117.00 117.38 2wdr n LEU 52 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 2wdr n LEU 52 Cb 0.10 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 41.62 2wdr n LEU 52 CO 0.00 0.00 0.95 0.77 -1.33 0.00 0.00 177.39 177.78 2wdr h SER 53 N 0.00 0.24 -4.96 -1.43 4.64 -1.38 -3.46 113.55 107.20 2wdr h SER 53 Ca 0.00 -0.04 0.14 0.00 -0.47 0.00 0.00 61.79 61.43 2wdr h SER 53 Cb 0.07 -0.06 -0.12 0.00 -0.31 0.00 0.00 62.40 61.98 2wdr h SER 53 CO 0.00 0.33 0.49 -0.94 -0.87 0.00 0.00 176.83 175.85 2wdr s SER 54 N -6.87 -0.28 0.43 4.97 1.04 -1.26 -4.98 113.70 106.75 2wdr s SER 54 Ca -0.06 -0.18 0.14 0.00 0.48 0.00 0.00 55.95 56.33 2wdr s SER 54 Cb 0.16 0.43 0.94 0.00 0.10 0.00 0.00 66.02 67.64 2wdr s SER 54 CO 0.73 -0.74 1.96 -0.65 0.98 0.00 0.00 173.24 175.52 2wdr h PRO 55 N 2.00 0.02 -0.14 4.02 0.11 -1.96 -2.16 132.00 133.89 2wdr h PRO 55 Ca -0.23 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.85 2wdr h PRO 55 Cb 1.24 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2wdr h PRO 55 CO 0.29 0.23 -0.02 1.49 -0.21 0.00 0.00 178.00 179.78 2wdr h GLU 56 N 0.02 0.27 -0.86 1.05 4.81 -1.97 -3.07 114.58 114.83 2wdr h GLU 56 Ca 0.00 -0.09 0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2wdr h GLU 56 Cb 0.38 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.69 2wdr h GLU 56 CO 0.03 0.53 0.57 0.78 -0.73 0.00 0.00 179.01 180.18 2wdr h GLY 57 N -0.02 1.23 0.95 1.92 0.00 -1.66 -1.71 103.07 103.79 2wdr h GLY 57 Ca 0.04 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 2wdr h GLY 57 CO 0.01 0.33 0.16 -2.75 0.00 0.00 0.00 176.54 174.28 2wdr h PHE 58 N 1.02 0.41 -0.56 5.60 3.57 -1.40 0.19 116.94 125.77 2wdr h PHE 58 Ca 0.36 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.85 2wdr h PHE 58 Cb 0.12 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 2wdr h PHE 58 CO -0.00 0.34 0.36 0.93 -2.23 0.00 0.00 178.31 177.71 2wdr h GLU 59 N 0.36 0.75 -0.23 1.11 5.08 -1.40 -1.19 114.58 119.05 2wdr h GLU 59 Ca 0.10 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.48 2wdr h GLU 59 Cb 0.07 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2wdr h GLU 59 CO -0.02 0.51 0.18 0.37 -1.00 0.00 0.00 179.01 179.05 2wdr h GLN 60 N 0.76 0.00 0.03 2.33 4.15 -0.70 0.80 115.11 122.47 2wdr h GLN 60 Ca 0.20 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.62 2wdr h GLN 60 Cb -0.06 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.63 2wdr h GLN 60 CO -0.04 0.00 -0.01 0.00 -1.93 0.00 0.00 178.83 176.84 2wdr h ALA 61 N 1.87 -0.04 0.00 3.38 0.00 -0.07 -2.87 119.26 121.53 2wdr h ALA 61 Ca 0.11 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2wdr h ALA 61 Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2wdr h ALA 61 CO -0.00 -0.05 0.00 0.66 0.00 0.00 0.00 179.25 179.86 2wdr h SER 62 N -0.98 0.00 0.17 0.00 4.64 -1.10 0.10 113.55 116.37 2wdr h SER 62 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2wdr h SER 62 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2wdr h SER 62 CO 0.01 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 175.89 2wdr h ALA 63 N 2.05 -0.22 -0.81 5.18 0.00 -0.90 -2.78 119.26 121.78 2wdr h ALA 63 Ca 0.00 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.83 2wdr h ALA 63 Cb 0.14 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 2wdr h ALA 63 CO 0.00 -0.43 0.44 0.82 0.00 0.00 0.00 179.25 180.08 2wdr h ILE 64 N -0.61 0.84 0.00 0.00 2.04 -0.67 0.39 117.51 119.50 2wdr h ILE 64 Ca -0.02 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2wdr h ILE 64 Cb 0.45 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2wdr h ILE 64 CO 0.04 0.13 0.00 0.23 0.00 0.00 0.00 178.15 178.54 2wdr n MET 65 N -4.81 0.05 0.01 2.37 2.81 0.06 -2.39 117.12 115.22 2wdr n MET 65 Ca 0.14 0.35 -0.18 0.00 -1.81 0.00 0.00 57.70 56.20 2wdr n MET 65 Cb 0.33 -1.61 -0.12 0.00 -0.71 0.00 0.00 33.22 31.11 2wdr n MET 65 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2wdr h GLY 66 N 1.95 0.42 -5.66 3.03 0.00 -0.62 -3.42 103.07 98.77 2wdr h GLY 66 Ca 0.00 -0.78 -0.74 0.00 0.00 0.00 0.00 47.33 45.80 2wdr h GLY 66 CO 0.00 0.69 0.02 -1.26 0.00 0.00 0.00 176.54 175.99 2wdr n SER 67 N -4.22 0.08 -0.11 0.19 2.88 -1.01 -4.84 113.62 106.59 2wdr n SER 67 Ca -0.11 1.15 -0.10 0.00 -1.33 0.00 0.00 58.87 58.48 2wdr n SER 67 Cb 0.69 -0.98 -0.03 0.00 -0.75 0.00 0.00 64.21 63.14 2wdr n SER 67 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2wdr h PHE 68 N 2.83 0.58 -0.92 0.66 3.57 -1.89 -1.71 116.94 120.07 2wdr h PHE 68 Ca -0.46 -0.08 0.11 0.00 3.53 0.00 0.00 57.97 61.07 2wdr h PHE 68 Cb 1.41 -0.16 -0.08 0.00 2.79 0.00 0.00 35.95 39.91 2wdr h PHE 68 CO 0.54 0.62 0.55 0.35 -2.23 0.00 0.00 178.31 178.15 2wdr h PHE 69 N 0.37 1.00 -0.16 0.41 3.57 -1.95 -0.07 116.94 120.11 2wdr h PHE 69 Ca 0.10 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 2wdr h PHE 69 Cb 0.36 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 2wdr h PHE 69 CO 0.02 0.39 0.04 0.28 -2.23 0.00 0.00 178.31 176.82 2wdr h VAL 70 N 0.88 1.19 -0.78 1.41 2.07 -1.81 -2.66 116.25 116.55 2wdr h VAL 70 Ca 0.46 -0.60 0.10 0.00 0.82 0.00 0.00 66.70 67.48 2wdr h VAL 70 Cb 0.46 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 2wdr h VAL 70 CO -0.27 0.18 0.51 0.11 0.02 0.00 0.00 177.57 178.13 2wdr h LYS 71 N 0.07 0.65 0.38 1.57 1.57 -0.24 0.14 116.57 120.72 2wdr h LYS 71 Ca 0.05 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2wdr h LYS 71 Cb 0.24 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2wdr h LYS 71 CO -0.00 0.43 -0.18 0.35 -0.57 0.00 0.00 179.45 179.48 2wdr h PHE 72 N 0.67 -0.47 -0.56 -1.35 3.57 -0.95 -2.20 116.94 115.66 2wdr h PHE 72 Ca 0.37 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.95 2wdr h PHE 72 Cb 0.51 0.16 -0.08 0.00 2.79 0.00 0.00 35.95 39.33 2wdr h PHE 72 CO -0.00 -0.15 0.12 0.82 -2.23 0.00 0.00 178.31 176.88 2wdr h ILE 73 N -0.82 0.69 -0.84 1.41 2.04 -1.07 -1.42 117.51 117.50 2wdr h ILE 73 Ca -0.05 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 65.79 2wdr h ILE 73 Cb 0.53 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 2wdr h ILE 73 CO 0.09 0.05 0.54 -0.03 0.00 0.00 0.00 178.15 178.80 2wdr h MET 74 N 0.26 0.86 -0.22 2.37 4.05 -0.72 0.51 114.93 122.05 2wdr h MET 74 Ca 0.29 -0.05 -0.20 0.00 -0.28 0.00 0.00 59.70 59.45 2wdr h MET 74 Cb 0.40 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.01 2wdr h MET 74 CO -0.36 0.57 -0.66 2.35 0.23 0.00 0.00 176.91 179.04 2wdr h TRP 75 N 0.89 1.06 0.46 1.39 7.01 -0.64 -1.57 115.95 124.55 2wdr h TRP 75 Ca 0.37 -0.42 -0.02 0.00 2.11 0.00 0.00 58.89 60.92 2wdr h TRP 75 Cb 0.27 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.16 2wdr h TRP 75 CO -0.00 1.25 -0.22 0.78 -2.79 0.00 0.00 178.44 177.46 2wdr h GLY 76 N 0.66 -0.64 -0.11 2.65 0.00 -0.65 0.22 103.07 105.20 2wdr h GLY 76 Ca -0.02 0.24 0.19 0.00 0.00 0.00 0.00 47.33 47.74 2wdr h GLY 76 CO 0.14 -0.23 0.33 -2.22 0.00 0.00 0.00 176.54 174.56 2wdr h ILE 77 N -0.66 0.52 -0.03 2.60 2.04 -0.93 0.53 117.51 121.57 2wdr h ILE 77 Ca -0.06 -0.13 -0.16 0.00 1.00 0.00 0.00 64.86 65.50 2wdr h ILE 77 Cb 0.49 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2wdr h ILE 77 CO 0.10 0.07 -0.70 -0.07 0.00 0.00 0.00 178.15 177.56 2wdr h LEU 78 N 0.39 0.20 -0.15 1.44 3.38 -1.06 -1.95 115.31 117.55 2wdr h LEU 78 Ca 0.50 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.27 2wdr h LEU 78 Cb 0.90 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 2wdr h LEU 78 CO -0.50 0.83 -0.19 0.74 0.09 0.00 0.00 178.44 179.41 2wdr h THR 79 N 0.12 1.35 -0.62 0.22 2.02 0.16 0.99 112.91 117.14 2wdr h THR 79 Ca -0.02 -1.38 0.08 0.00 0.77 0.00 0.00 66.41 65.87 2wdr h THR 79 Cb 1.24 1.90 -0.07 0.00 -1.74 0.00 0.00 68.15 69.49 2wdr h THR 79 CO 0.10 0.41 0.27 0.00 0.37 0.00 0.00 175.52 176.68 2wdr h ALA 80 N 0.59 0.82 -0.47 6.16 0.00 -0.08 0.15 119.26 126.43 2wdr h ALA 80 Ca 0.02 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2wdr h ALA 80 Cb 0.74 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2wdr h ALA 80 CO 0.04 -0.12 0.05 1.25 0.00 0.00 0.00 179.25 180.48 2wdr h LEU 81 N 0.49 0.77 -0.18 0.00 5.85 -1.25 -1.97 115.31 119.02 2wdr h LEU 81 Ca 0.30 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.79 2wdr h LEU 81 Cb 0.33 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2wdr h LEU 81 CO -0.26 0.85 -0.07 0.00 -0.34 0.00 0.00 178.44 178.62 2wdr h ALA 82 N 0.95 0.10 0.25 1.25 0.00 -0.22 -1.99 119.26 119.59 2wdr h ALA 82 Ca 0.14 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2wdr h ALA 82 Cb 0.42 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2wdr h ALA 82 CO 0.01 -0.50 -0.29 -0.92 0.00 0.00 0.00 179.25 177.55 2wdr h TYR 83 N -0.03 -0.79 -0.97 0.00 3.20 -0.90 -1.91 116.97 115.57 2wdr h TYR 83 Ca 0.09 0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.14 2wdr h TYR 83 Cb 0.18 0.31 -0.10 0.00 1.54 0.00 0.00 36.73 38.66 2wdr h TYR 83 CO -0.22 -0.42 0.57 1.25 -1.64 0.00 0.00 178.16 177.70 2wdr h HIS 84 N -0.59 1.02 -0.01 -3.82 2.76 -1.19 0.03 115.15 113.35 2wdr h HIS 84 Ca -0.00 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2wdr h HIS 84 Cb 0.56 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 29.21 2wdr h HIS 84 CO -0.21 0.28 -0.01 0.28 -1.30 0.00 0.00 177.93 176.98 2wdr h VAL 85 N 0.79 1.34 0.49 5.26 2.07 -1.07 0.10 116.25 125.24 2wdr h VAL 85 Ca 0.53 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 2wdr h VAL 85 Cb 0.74 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 2wdr h VAL 85 CO -0.35 0.27 -0.24 0.58 0.02 0.00 0.00 177.57 177.85 2wdr h VAL 86 N -0.40 0.49 -0.40 2.57 2.07 -0.86 0.10 116.25 119.82 2wdr h VAL 86 Ca 0.00 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2wdr h VAL 86 Cb 0.44 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2wdr h VAL 86 CO 0.00 0.04 0.17 0.58 0.02 0.00 0.00 177.57 178.38 2wdr h VAL 87 N -0.80 1.15 -0.61 2.57 2.07 -1.11 -1.16 116.25 118.36 2wdr h VAL 87 Ca -0.07 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 2wdr h VAL 87 Cb 0.57 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2wdr h VAL 87 CO 0.11 0.17 0.09 1.23 0.02 0.00 0.00 177.57 179.19 2wdr h GLY 88 N 0.70 1.07 1.66 2.17 0.00 -0.58 -1.09 103.07 106.99 2wdr h GLY 88 Ca 0.14 -0.70 -0.13 0.00 0.00 0.00 0.00 47.33 46.64 2wdr h GLY 88 CO -0.02 0.65 -0.50 -2.22 0.00 0.00 0.00 176.54 174.46 2wdr h ILE 89 N 0.93 1.33 0.04 2.60 2.04 -0.12 -1.73 117.51 122.61 2wdr h ILE 89 Ca 0.19 -1.73 0.01 0.00 1.00 0.00 0.00 64.86 64.33 2wdr h ILE 89 Cb 0.42 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 2wdr h ILE 89 CO 0.01 0.52 -0.09 -0.09 0.00 0.00 0.00 178.15 178.51 2wdr h ARG 90 N 0.29 -0.17 -0.05 2.37 2.43 -0.98 -0.35 114.38 117.92 2wdr h ARG 90 Ca 0.01 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2wdr h ARG 90 Cb 0.98 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.51 2wdr h ARG 90 CO 0.08 -0.11 -0.44 1.25 -1.51 0.00 0.00 179.97 179.24 2wdr h HIS 91 N -0.17 -1.27 -0.14 2.20 2.76 -1.05 -1.84 115.15 115.63 2wdr h HIS 91 Ca 0.02 0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.25 2wdr h HIS 91 Cb 0.19 0.56 -0.01 0.00 1.55 0.00 0.00 27.41 29.71 2wdr h HIS 91 CO -0.13 -0.51 0.10 0.52 -1.30 0.00 0.00 177.93 176.61 2wdr h MET 92 N -0.56 0.10 -0.12 5.26 2.86 -1.13 -1.18 114.93 120.15 2wdr h MET 92 Ca 0.05 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 2wdr h MET 92 Cb 0.66 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 2wdr h MET 92 CO -0.36 0.07 -0.29 0.52 1.06 0.00 0.00 176.91 177.91 2wdr h MET 93 N 0.10 0.23 -0.16 1.72 2.07 -0.23 -1.25 114.93 117.41 2wdr h MET 93 Ca 0.06 -0.08 -0.09 0.00 -2.07 0.00 0.00 59.70 57.51 2wdr h MET 93 Cb 0.11 -0.02 -0.00 0.00 -1.87 0.00 0.00 31.60 29.82 2wdr h MET 93 CO -0.01 0.50 -0.26 0.52 1.07 0.00 0.00 176.91 178.73 2wdr h MET 94 N 0.21 0.46 -0.02 1.72 2.86 -0.82 0.12 114.93 119.45 2wdr h MET 94 Ca 0.03 -0.28 0.01 0.00 -2.06 0.00 0.00 59.70 57.40 2wdr h MET 94 Cb 0.62 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 2wdr h MET 94 CO 0.04 0.88 0.06 -0.44 1.06 0.00 0.00 176.91 178.51 2wdr h ASP 95 N 0.10 0.00 -0.10 1.22 3.32 -0.89 -1.34 116.42 118.73 2wdr h ASP 95 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2wdr h ASP 95 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2wdr h ASP 95 CO 0.06 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.07 2wdr n PHE 96 N -3.35 0.11 -0.64 4.55 3.72 -0.52 -4.98 117.46 116.35 2wdr n PHE 96 Ca -0.02 -0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 2wdr n PHE 96 Cb 0.13 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 2wdr n PHE 96 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wdr n GLY 97 N 0.83 0.77 0.23 1.37 0.00 -0.51 -4.91 105.19 102.97 2wdr n GLY 97 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 2wdr n GLY 97 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2wdr h TYR 98 N 0.00 0.00 -4.13 1.61 0.05 -1.04 -3.43 116.97 110.03 2wdr h TYR 98 Ca 0.00 0.00 -0.69 0.00 0.05 0.00 0.00 58.73 58.09 2wdr h TYR 98 Cb 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 36.73 37.50 2wdr h TYR 98 CO 0.00 0.12 -0.80 -0.51 -1.05 0.00 0.00 178.16 175.92 2wdr s LEU 99 N -6.38 2.58 0.43 3.88 1.43 -0.75 -4.95 118.68 114.93 2wdr s LEU 99 Ca 0.03 -0.30 -0.23 0.00 -1.03 0.00 0.00 54.13 52.61 2wdr s LEU 99 Cb 0.08 -1.51 -0.08 0.00 0.03 0.00 0.00 46.19 44.71 2wdr s LEU 99 CO 0.63 0.32 1.07 -1.61 0.23 0.00 0.00 176.35 177.00 2wdr s GLU 100 N -0.87 3.99 -0.35 1.70 2.02 -1.26 -4.55 118.70 119.38 2wdr s GLU 100 Ca 0.12 1.54 0.09 0.00 0.02 0.00 0.00 54.97 56.74 2wdr s GLU 100 Cb -0.10 -2.41 0.74 0.00 0.10 0.00 0.00 34.13 32.45 2wdr s GLU 100 CO 0.01 -0.30 1.83 0.39 0.02 0.00 0.00 175.26 177.21 2wdr n GLU 101 N -0.36 3.53 -1.85 1.61 1.02 -1.26 -4.49 120.64 118.84 2wdr n GLU 101 Ca 0.06 -3.09 -0.30 0.00 -0.02 0.00 0.00 57.16 53.82 2wdr n GLU 101 Cb 0.50 -2.22 0.06 0.00 -0.02 0.00 0.00 31.44 29.76 2wdr n GLU 101 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2wdr s THR 102 N -3.05 3.14 0.07 2.62 -4.23 -1.26 -4.95 115.64 107.98 2wdr s THR 102 Ca 0.56 0.37 -0.18 0.00 -1.18 0.00 0.00 61.69 61.26 2wdr s THR 102 Cb 0.45 -3.34 -0.11 0.00 1.34 0.00 0.00 72.50 70.84 2wdr s THR 102 CO 0.13 -0.48 1.42 0.15 -0.54 0.00 0.00 174.62 175.29 2wdr h PHE 103 N -0.78 0.56 -0.14 3.99 3.57 -1.99 -2.17 116.94 119.97 2wdr h PHE 103 Ca -0.45 -0.15 0.05 0.00 3.53 0.00 0.00 57.97 60.95 2wdr h PHE 103 Cb 1.27 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.83 2wdr h PHE 103 CO 0.46 0.78 -0.21 0.93 -2.23 0.00 0.00 178.31 178.04 2wdr h GLU 104 N 0.18 -0.25 0.00 1.11 4.39 -1.97 -1.04 114.58 117.00 2wdr h GLU 104 Ca 0.05 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2wdr h GLU 104 Cb 0.65 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2wdr h GLU 104 CO 0.04 -0.17 -0.04 0.00 -1.16 0.00 0.00 179.01 177.68 2wdr h ALA 105 N 0.74 1.61 0.17 3.43 0.00 -1.85 -1.17 119.26 122.19 2wdr h ALA 105 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2wdr h ALA 105 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2wdr h ALA 105 CO -0.29 0.05 -0.08 0.78 0.00 0.00 0.00 179.25 179.71 2wdr h GLY 106 N 0.21 -0.24 0.44 0.00 0.00 -0.56 -2.09 103.07 100.83 2wdr h GLY 106 Ca -0.00 0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.45 2wdr h GLY 106 CO 0.01 -0.09 -0.24 0.50 0.00 0.00 0.00 176.54 176.72 2wdr h LYS 107 N -0.75 -0.36 -0.32 4.80 1.57 -0.83 -0.37 116.57 120.32 2wdr h LYS 107 Ca -0.02 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 2wdr h LYS 107 Cb 0.51 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.84 2wdr h LYS 107 CO 0.04 -0.24 -0.13 -0.09 -0.57 0.00 0.00 179.45 178.46 2wdr h ARG 108 N -0.37 -0.07 -0.11 3.15 2.43 -1.28 -1.67 114.38 116.45 2wdr h ARG 108 Ca 0.06 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.12 2wdr h ARG 108 Cb 0.46 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2wdr h ARG 108 CO -0.22 -0.04 -0.45 0.66 -1.51 0.00 0.00 179.97 178.41 2wdr h SER 109 N -0.07 0.28 -0.44 -3.80 4.64 -1.21 -2.60 113.55 110.36 2wdr h SER 109 Ca 0.16 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 2wdr h SER 109 Cb 0.32 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 2wdr h SER 109 CO -0.37 0.69 0.18 0.00 -0.87 0.00 0.00 176.83 176.47 2wdr h ALA 110 N 1.32 1.40 0.04 5.18 0.00 -0.41 -0.38 119.26 126.41 2wdr h ALA 110 Ca 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2wdr h ALA 110 Cb 0.88 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2wdr h ALA 110 CO 0.07 0.45 -0.02 0.87 0.00 0.00 0.00 179.25 180.62 2wdr h LYS 111 N 0.70 -0.05 -0.12 0.00 1.57 -1.14 -2.42 116.57 115.10 2wdr h LYS 111 Ca 0.17 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.99 2wdr h LYS 111 Cb 0.16 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 2wdr h LYS 111 CO -0.01 0.47 0.09 0.82 -0.57 0.00 0.00 179.45 180.24 2wdr h ILE 112 N -0.59 0.92 -0.03 1.86 2.04 -1.35 0.17 117.51 120.52 2wdr h ILE 112 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 2wdr h ILE 112 Cb 0.54 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2wdr h ILE 112 CO 0.01 0.00 0.01 0.28 0.00 0.00 0.00 178.15 178.45 2wdr h SER 113 N 0.00 0.04 -0.40 1.72 0.02 -0.99 -1.64 113.55 112.31 2wdr h SER 113 Ca 0.06 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 60.86 2wdr h SER 113 Cb 0.24 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 2wdr h SER 113 CO -0.00 0.20 0.21 -0.26 -1.14 0.00 0.00 176.83 175.84 2wdr h PHE 114 N -0.12 0.40 0.38 3.45 0.04 -0.50 -1.03 116.94 119.56 2wdr h PHE 114 Ca 0.01 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 2wdr h PHE 114 Cb 0.17 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.20 2wdr h PHE 114 CO -0.02 0.22 -0.18 0.28 -0.60 0.00 0.00 178.31 178.01 2wdr h VAL 115 N 0.43 0.63 -0.90 -0.55 2.07 -1.22 -0.07 116.25 116.64 2wdr h VAL 115 Ca 0.16 -0.06 0.22 0.00 0.82 0.00 0.00 66.70 67.84 2wdr h VAL 115 Cb 0.05 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 2wdr h VAL 115 CO -0.10 0.01 0.61 0.40 0.02 0.00 0.00 177.57 178.51 2wdr h ILE 116 N -0.54 0.63 -0.05 4.57 2.04 -1.20 -1.38 117.51 121.58 2wdr h ILE 116 Ca -0.05 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 2wdr h ILE 116 Cb 0.41 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2wdr h ILE 116 CO 0.09 0.05 -0.17 0.74 0.00 0.00 0.00 178.15 178.86 2wdr h THR 117 N 0.28 1.44 -0.88 -0.27 2.02 -0.64 -2.60 112.91 112.26 2wdr h THR 117 Ca 0.46 -1.56 0.08 0.00 0.77 0.00 0.00 66.41 66.16 2wdr h THR 117 Cb 1.34 2.33 -0.07 0.00 -1.74 0.00 0.00 68.15 70.01 2wdr h THR 117 CO -0.13 0.43 0.54 0.58 0.37 0.00 0.00 175.52 177.31 2wdr h VAL 118 N -0.32 0.99 -0.78 3.16 2.07 -0.33 0.40 116.25 121.45 2wdr h VAL 118 Ca -0.01 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 2wdr h VAL 118 Cb 0.79 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 2wdr h VAL 118 CO 0.04 0.17 0.47 0.58 0.02 0.00 0.00 177.57 178.85 2wdr h VAL 119 N 0.94 1.22 -0.37 2.57 2.07 -1.33 -1.54 116.25 119.81 2wdr h VAL 119 Ca 0.40 -0.47 -0.12 0.00 0.82 0.00 0.00 66.70 67.32 2wdr h VAL 119 Cb 0.26 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 2wdr h VAL 119 CO -0.20 0.23 -0.27 -0.07 0.02 0.00 0.00 177.57 177.27 2wdr h LEU 120 N 1.06 0.79 -1.17 2.57 3.38 -0.87 -2.62 115.31 118.45 2wdr h LEU 120 Ca 0.28 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2wdr h LEU 120 Cb -0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 2wdr h LEU 120 CO -0.05 1.02 0.29 -1.28 0.09 0.00 0.00 178.44 178.50 2wdr h SER 121 N 0.66 0.78 0.56 -0.43 0.87 0.20 0.13 113.55 116.32 2wdr h SER 121 Ca 0.08 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2wdr h SER 121 Cb 0.80 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 62.56 2wdr h SER 121 CO 0.07 0.67 -0.27 -0.07 -0.53 0.00 0.00 176.83 176.70 2wdr h LEU 122 N 0.87 -0.64 -1.06 2.23 3.38 -1.25 -1.98 115.31 116.87 2wdr h LEU 122 Ca 0.21 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.24 2wdr h LEU 122 Cb 0.10 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2wdr h LEU 122 CO -0.03 -0.29 0.70 -0.07 0.09 0.00 0.00 178.44 178.85 2wdr h LEU 123 N -1.08 0.00 0.02 1.67 3.38 -1.27 0.43 115.31 118.46 2wdr h LEU 123 Ca -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2wdr h LEU 123 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2wdr h LEU 123 CO 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.65 2wdr h ALA 124 N 0.70 -0.03 -0.73 1.53 0.00 -0.44 -2.89 119.26 117.41 2wdr h ALA 124 Ca 0.06 -0.37 0.10 0.00 0.00 0.00 0.00 54.91 54.70 2wdr h ALA 124 Cb 1.46 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.19 2wdr h ALA 124 CO -0.00 -0.10 0.35 0.78 0.00 0.00 0.00 179.25 180.29 2wdr h GLY 125 N -0.87 1.10 2.00 0.00 0.00 0.53 -0.68 103.07 105.15 2wdr h GLY 125 Ca -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 2wdr h GLY 125 CO 0.00 0.03 -0.07 -2.08 0.00 0.00 0.00 176.54 174.43 2wdr h VAL 126 N 0.59 0.97 0.00 4.60 2.07 -1.13 0.11 116.25 123.46 2wdr h VAL 126 Ca 0.37 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.66 2wdr h VAL 126 Cb 0.42 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2wdr h VAL 126 CO -0.29 0.06 0.00 0.25 0.02 0.00 0.00 177.57 177.61 2wdr h LEU 127 N 0.00 0.00 0.00 2.57 6.46 -0.91 -3.32 115.31 120.11 2wdr h LEU 127 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2wdr h LEU 127 Cb 0.12 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 2wdr h LEU 127 CO 0.01 0.00 -0.59 0.52 -0.62 0.00 0.00 178.44 177.76 2wdr n VAL 128 N -2.92 0.00 1.87 1.05 0.31 -0.42 -5.10 118.33 113.13 2wdr n VAL 128 Ca 0.03 -0.28 0.15 0.00 -0.01 0.00 0.00 64.34 64.24 2wdr n VAL 128 Cb 0.45 0.88 0.84 0.00 -0.91 0.00 0.00 33.84 35.10 2wdr n VAL 128 CO 0.00 0.00 0.00 1.87 -1.32 0.00 0.00 176.83 177.38