#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdg n ARG 3 N 0.00 0.02 0.00 0.00 1.74 -1.26 -4.56 116.66 112.59 2wdg n ARG 3 Ca 0.00 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2wdg n ARG 3 Cb 0.00 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 2wdg n ARG 3 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2wdg n ILE 4 N -2.25 0.00 -4.22 0.55 5.41 0.00 -4.96 119.36 113.90 2wdg n ILE 4 Ca 0.03 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.50 2wdg n ILE 4 Cb 0.52 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.36 2wdg n ILE 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wdg s ALA 5 N -2.00 3.06 0.00 -1.39 0.00 -1.26 -4.92 121.76 115.26 2wdg s ALA 5 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.65 2wdg s ALA 5 Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.19 2wdg s ALA 5 CO 0.00 0.57 0.00 0.41 0.00 0.00 0.00 175.76 176.74 2wdg n GLY 6 N 0.33 0.95 0.82 0.00 0.00 -1.26 -1.99 105.19 104.03 2wdg n GLY 6 Ca -0.12 0.38 -0.01 0.00 0.00 0.00 0.00 46.02 46.27 2wdg n GLY 6 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdg n VAL 7 N 0.00 0.00 -2.96 1.61 0.31 -1.26 -5.11 118.33 110.92 2wdg n VAL 7 Ca 0.00 -0.18 -0.41 0.00 -0.01 0.00 0.00 64.34 63.74 2wdg n VAL 7 Cb 0.00 0.42 -0.05 0.00 -0.91 0.00 0.00 33.84 33.31 2wdg n VAL 7 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2wdg s GLU 8 N 0.00 4.29 -0.36 5.55 2.02 -0.84 -4.95 118.70 124.40 2wdg s GLU 8 Ca 0.06 0.91 0.00 0.00 0.02 0.00 0.00 54.97 55.96 2wdg s GLU 8 Cb 0.07 -3.56 0.12 0.00 0.10 0.00 0.00 34.13 30.86 2wdg s GLU 8 CO -0.03 -0.27 0.18 0.42 0.02 0.00 0.00 175.26 175.59 2wdg s ILE 9 N 1.95 0.76 1.29 -1.63 1.09 -1.26 -0.82 121.20 122.58 2wdg s ILE 9 Ca 0.36 -1.82 -0.22 0.00 -1.10 0.00 0.00 60.65 57.87 2wdg s ILE 9 Cb -0.17 -1.56 0.33 0.00 -1.06 0.00 0.00 42.46 40.01 2wdg s ILE 9 CO 0.13 -0.84 0.90 -0.81 -0.10 0.00 0.00 174.94 174.22 2wdg n PRO 10 N 4.22 -4.04 -3.76 2.79 -0.04 -1.26 -4.86 135.00 128.04 2wdg n PRO 10 Ca 0.05 -1.48 -0.08 0.00 -0.04 0.00 0.00 63.50 61.95 2wdg n PRO 10 Cb 0.38 -1.68 -0.02 0.00 -0.04 0.00 0.00 33.50 32.14 2wdg n PRO 10 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2wdg s ARG 11 N -5.11 1.66 0.00 0.54 0.52 -1.26 -4.57 118.95 110.73 2wdg s ARG 11 Ca 0.65 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.99 2wdg s ARG 11 Cb -0.09 0.60 0.00 0.00 0.52 0.00 0.00 34.95 35.98 2wdg s ARG 11 CO 0.52 -0.75 0.00 0.09 0.02 0.00 0.00 175.30 175.18 2wdg n ASN 12 N -0.44 0.00 -3.95 0.23 3.02 -1.26 -4.71 115.26 108.15 2wdg n ASN 12 Ca -0.07 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.26 2wdg n ASN 12 Cb 0.60 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.61 2wdg n ASN 12 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2wdg s LYS 13 N 0.00 1.25 -0.10 3.52 1.02 -1.26 -4.85 119.74 119.32 2wdg s LYS 13 Ca 0.00 -0.25 -0.23 0.00 0.02 0.00 0.00 55.97 55.51 2wdg s LYS 13 Cb 0.00 -1.11 -0.11 0.00 -0.52 0.00 0.00 37.83 36.09 2wdg s LYS 13 CO 0.00 -0.03 0.68 2.89 -0.92 0.00 0.00 175.35 177.96 2wdg n ARG 14 N 3.95 0.00 -0.40 1.68 1.85 -1.26 -3.90 116.66 118.58 2wdg n ARG 14 Ca -0.24 0.00 0.35 0.00 -1.00 0.00 0.00 57.85 56.97 2wdg n ARG 14 Cb 0.51 -0.80 0.60 0.00 -1.05 0.00 0.00 32.46 31.72 2wdg n ARG 14 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 2wdg n VAL 15 N 1.28 -0.26 0.10 8.89 0.24 -1.02 -0.31 118.33 127.25 2wdg n VAL 15 Ca 0.13 1.69 0.06 0.00 -2.04 0.00 0.00 64.34 64.18 2wdg n VAL 15 Cb 0.02 -2.77 0.30 0.00 -1.47 0.00 0.00 33.84 29.92 2wdg n VAL 15 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2wdg n ASP 16 N -4.64 0.29 -0.00 -1.34 3.85 -1.10 -1.80 116.55 111.79 2wdg n ASP 16 Ca 0.36 0.63 0.01 0.00 -0.71 0.00 0.00 54.79 55.08 2wdg n ASP 16 Cb 1.38 -0.67 -0.02 0.00 -1.35 0.00 0.00 41.12 40.46 2wdg n ASP 16 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 2wdg n VAL 17 N -1.88 0.05 0.08 2.12 0.31 0.58 -4.49 118.33 115.10 2wdg n VAL 17 Ca -0.01 -0.08 0.03 0.00 -0.01 0.00 0.00 64.34 64.27 2wdg n VAL 17 Cb 0.03 0.08 0.43 0.00 -0.91 0.00 0.00 33.84 33.46 2wdg n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdg h ALA 18 N 0.25 1.64 -0.04 3.52 0.00 -1.11 -0.65 119.26 122.87 2wdg h ALA 18 Ca -0.02 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 2wdg h ALA 18 Cb 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2wdg h ALA 18 CO 0.00 0.28 -0.66 -0.07 0.00 0.00 0.00 179.25 178.80 2wdg h LEU 19 N 0.35 0.20 -1.12 0.00 -0.00 -1.70 -3.18 115.31 109.87 2wdg h LEU 19 Ca 0.09 -0.12 0.21 0.00 -0.00 0.00 0.00 57.88 58.06 2wdg h LEU 19 Cb 0.15 -0.06 -0.10 0.00 -0.00 0.00 0.00 40.66 40.64 2wdg h LEU 19 CO -0.00 0.80 0.62 0.74 -0.00 0.00 0.00 178.44 180.59 2wdg h THR 20 N 0.12 0.64 0.00 0.22 2.02 -1.26 0.17 112.91 114.82 2wdg h THR 20 Ca -0.01 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2wdg h THR 20 Cb 1.18 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 2wdg h THR 20 CO 0.10 0.12 0.00 -1.22 0.37 0.00 0.00 175.52 174.88 2wdg n TYR 21 N -4.74 0.00 -5.18 3.16 0.53 -1.20 -4.70 117.16 105.03 2wdg n TYR 21 Ca 0.24 -0.26 -0.32 0.00 -1.02 0.00 0.00 57.90 56.54 2wdg n TYR 21 Cb 0.67 -0.17 -0.16 0.00 -1.03 0.00 0.00 39.34 38.65 2wdg n TYR 21 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 2wdg s ILE 22 N -0.14 2.30 -0.51 -0.72 1.01 0.05 -4.91 121.20 118.27 2wdg s ILE 22 Ca 0.00 -0.99 -0.28 0.00 0.00 0.00 0.00 60.65 59.37 2wdg s ILE 22 Cb 0.00 -1.84 0.02 0.00 0.01 0.00 0.00 42.46 40.64 2wdg s ILE 22 CO 0.00 0.58 1.37 -0.47 0.00 0.00 0.00 174.94 176.42 2wdg s TYR 23 N -0.40 2.39 0.00 3.97 6.14 -1.26 -2.06 117.35 126.13 2wdg s TYR 23 Ca 0.04 0.55 0.00 0.00 0.64 0.00 0.00 57.07 58.29 2wdg s TYR 23 Cb -0.12 -4.39 0.00 0.00 0.42 0.00 0.00 41.96 37.88 2wdg s TYR 23 CO 0.02 -1.88 0.00 0.41 0.64 0.00 0.00 175.55 174.73 2wdg n GLY 24 N 5.16 1.85 3.14 8.97 0.00 -1.26 -1.44 105.19 121.61 2wdg n GLY 24 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2wdg n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wdg s ILE 25 N -2.00 3.01 0.00 -0.61 1.09 -0.87 -4.82 121.20 117.00 2wdg s ILE 25 Ca 0.00 -1.71 0.00 0.00 -1.10 0.00 0.00 60.65 57.84 2wdg s ILE 25 Cb 0.00 -2.89 0.00 0.00 -1.06 0.00 0.00 42.46 38.51 2wdg s ILE 25 CO 0.00 -0.35 0.00 0.61 -0.10 0.00 0.00 174.94 175.10 2wdg n GLY 26 N 4.57 1.07 0.04 6.18 0.00 -1.26 -4.08 105.19 111.71 2wdg n GLY 26 Ca -0.08 -1.92 0.10 0.00 0.00 0.00 0.00 46.02 44.12 2wdg n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wdg n LYS 27 N -0.16 0.07 -0.03 1.61 3.00 -1.26 -3.23 118.16 118.16 2wdg n LYS 27 Ca 0.00 0.21 -0.00 0.00 -0.00 0.00 0.00 58.31 58.52 2wdg n LYS 27 Cb 0.00 -1.61 -0.00 0.00 0.00 0.00 0.00 35.03 33.42 2wdg n LYS 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wdg h ALA 28 N 2.59 -0.01 0.00 3.14 0.00 -1.96 -3.29 119.26 119.73 2wdg h ALA 28 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wdg h ALA 28 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2wdg h ALA 28 CO 0.00 -0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.78 2wdg n ARG 29 N -4.07 0.42 0.00 0.00 1.74 -1.24 -2.54 116.66 110.97 2wdg n ARG 29 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wdg n ARG 29 Cb 0.00 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 2wdg n ARG 29 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wdg n ALA 30 N -0.34 0.00 -0.33 7.54 0.00 -1.20 -3.55 120.51 122.63 2wdg n ALA 30 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.68 2wdg n ALA 30 Cb 0.02 0.00 0.52 0.00 0.00 0.00 0.00 19.45 19.99 2wdg n ALA 30 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wdg h LYS 31 N 0.00 0.36 0.00 0.00 1.57 -1.63 0.96 116.57 117.82 2wdg h LYS 31 Ca 0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2wdg h LYS 31 Cb 0.00 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 2wdg h LYS 31 CO 0.00 0.24 -0.05 1.49 -0.57 0.00 0.00 179.45 180.56 2wdg h GLU 32 N 0.37 0.00 0.00 3.15 4.22 -1.71 -2.58 114.58 118.03 2wdg h GLU 32 Ca 0.60 0.00 0.00 0.00 0.08 0.00 0.00 59.36 60.04 2wdg h GLU 32 Cb 1.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.81 2wdg h GLU 32 CO -0.30 0.05 -1.80 0.00 -2.18 0.00 0.00 179.01 174.79 2wdg n ALA 33 N -2.20 3.08 0.43 2.92 0.00 0.32 -3.96 120.51 121.10 2wdg n ALA 33 Ca -0.02 -0.52 0.13 0.00 0.00 0.00 0.00 53.44 53.03 2wdg n ALA 33 Cb 0.19 -0.77 0.34 0.00 0.00 0.00 0.00 19.45 19.20 2wdg n ALA 33 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wdg h LEU 34 N 0.00 0.00 0.13 0.00 3.38 -0.91 -2.81 115.31 115.10 2wdg h LEU 34 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2wdg h LEU 34 Cb 0.93 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 2wdg h LEU 34 CO 0.00 0.00 -1.51 1.05 0.09 0.00 0.00 178.44 178.07 2wdg h GLU 35 N 0.00 0.28 0.00 1.13 4.11 -1.69 0.80 114.58 119.21 2wdg h GLU 35 Ca 0.00 -0.48 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2wdg h GLU 35 Cb 0.80 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2wdg h GLU 35 CO 0.00 1.23 0.00 1.63 0.07 0.00 0.00 179.01 181.94 2wdg n LYS 36 N -3.84 0.62 -0.02 1.06 4.76 -1.22 -2.50 118.16 117.03 2wdg n LYS 36 Ca -0.25 0.02 -0.02 0.00 -2.87 0.00 0.00 58.31 55.19 2wdg n LYS 36 Cb 0.94 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.61 2wdg n LYS 36 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2wdg n THR 37 N -1.10 0.21 -1.54 -0.18 -2.24 -1.06 -5.03 114.28 103.34 2wdg n THR 37 Ca 0.16 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2wdg n THR 37 Cb 0.12 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 2wdg n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wdg n GLY 38 N 2.86 0.75 3.46 3.38 0.00 0.14 -4.96 105.19 110.82 2wdg n GLY 38 Ca -0.05 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 2wdg n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wdg s ILE 39 N -2.01 3.70 0.20 -0.61 1.01 -0.37 -5.01 121.20 118.12 2wdg s ILE 39 Ca 0.00 -0.42 -0.32 0.00 0.00 0.00 0.00 60.65 59.91 2wdg s ILE 39 Cb 0.00 -2.61 -0.15 0.00 0.01 0.00 0.00 42.46 39.71 2wdg s ILE 39 CO 0.00 0.49 1.19 -3.20 0.00 0.00 0.00 174.94 173.42 2wdg n ASN 40 N 3.63 1.60 0.16 3.58 5.15 -1.26 -4.71 115.26 123.40 2wdg n ASN 40 Ca -0.18 1.15 0.02 0.00 -0.60 0.00 0.00 54.58 54.97 2wdg n ASN 40 Cb 0.52 -1.27 0.22 0.00 -0.53 0.00 0.00 39.78 38.73 2wdg n ASN 40 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2wdg h PRO 41 N 3.33 0.00 0.00 1.20 0.11 -1.97 -3.29 132.00 131.37 2wdg h PRO 41 Ca -0.43 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.50 2wdg h PRO 41 Cb 1.33 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.41 2wdg h PRO 41 CO 0.70 0.52 -0.99 0.00 -0.21 0.00 0.00 178.00 178.01 2wdg h ALA 42 N 1.48 0.54 -2.45 -0.75 0.00 -1.95 -2.92 119.26 113.22 2wdg h ALA 42 Ca -0.01 -0.83 -0.56 0.00 0.00 0.00 0.00 54.91 53.51 2wdg h ALA 42 Cb 1.06 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.92 2wdg h ALA 42 CO 0.07 1.06 0.88 0.25 0.00 0.00 0.00 179.25 181.50 2wdg n THR 43 N -3.21 0.10 -0.56 0.00 -2.24 -1.24 -4.63 114.28 102.48 2wdg n THR 43 Ca -0.03 -0.02 -0.30 0.00 -2.27 0.00 0.00 64.05 61.43 2wdg n THR 43 Cb 0.88 -1.73 0.22 0.00 -2.10 0.00 0.00 70.33 67.60 2wdg n THR 43 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2wdg n ARG 44 N 3.50 -1.80 0.15 -0.78 5.12 -1.26 -2.42 116.66 119.18 2wdg n ARG 44 Ca 0.16 -0.49 0.10 0.00 -1.93 0.00 0.00 57.85 55.69 2wdg n ARG 44 Cb 0.32 -2.13 0.07 0.00 -1.16 0.00 0.00 32.46 29.56 2wdg n ARG 44 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2wdg h VAL 45 N -2.37 0.15 -0.02 1.55 2.07 -1.88 -3.27 116.25 112.48 2wdg h VAL 45 Ca -0.56 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 65.72 2wdg h VAL 45 Cb 1.32 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 2wdg h VAL 45 CO 0.45 0.09 0.00 2.29 0.02 0.00 0.00 177.57 180.42 2wdg n LYS 46 N -2.95 1.14 -3.77 1.57 2.85 -1.26 -4.59 118.16 111.16 2wdg n LYS 46 Ca 0.01 -0.21 -0.28 0.00 -1.05 0.00 0.00 58.31 56.78 2wdg n LYS 46 Cb 0.59 -1.38 -0.16 0.00 -0.65 0.00 0.00 35.03 33.43 2wdg n LYS 46 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2wdg s ASP 47 N -1.74 3.11 0.00 -5.58 1.11 -1.23 -5.08 116.67 107.26 2wdg s ASP 47 Ca 0.35 -0.91 0.00 0.00 0.18 0.00 0.00 52.55 52.17 2wdg s ASP 47 Cb 0.17 -0.70 0.00 0.00 1.07 0.00 0.00 42.92 43.46 2wdg s ASP 47 CO 0.28 -0.30 0.00 0.00 1.18 0.00 0.00 175.17 176.33 2wdg n LEU 48 N 4.98 0.00 -4.17 1.23 -0.00 -1.26 -4.68 117.00 113.10 2wdg n LEU 48 Ca -0.09 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.57 2wdg n LEU 48 Cb 0.46 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 43.97 2wdg n LEU 48 CO 0.14 0.00 -1.01 0.41 -0.00 0.00 0.00 177.39 176.93 2wdg n THR 49 N 0.00 0.00 0.33 1.47 -1.04 -1.26 -4.67 114.28 109.12 2wdg n THR 49 Ca 0.00 -0.27 0.15 0.00 -2.04 0.00 0.00 64.05 61.89 2wdg n THR 49 Cb 0.00 -0.30 0.55 0.00 -1.82 0.00 0.00 70.33 68.76 2wdg n THR 49 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2wdg h GLU 50 N -1.38 0.00 0.00 -2.82 4.39 -2.02 -2.14 114.58 110.61 2wdg h GLU 50 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 2wdg h GLU 50 Cb 1.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 2wdg h GLU 50 CO 0.29 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 178.14 2wdg n ALA 51 N -1.97 -0.25 -0.28 3.43 0.00 -1.26 -0.81 120.51 119.37 2wdg n ALA 51 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.59 2wdg n ALA 51 Cb 0.32 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.02 2wdg n ALA 51 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wdg n GLU 52 N -1.53 -0.06 0.01 0.00 1.02 -1.11 0.20 120.64 119.17 2wdg n GLU 52 Ca 0.00 1.22 -0.00 0.00 -0.02 0.00 0.00 57.16 58.35 2wdg n GLU 52 Cb 0.00 -1.95 -0.00 0.00 -0.02 0.00 0.00 31.44 29.47 2wdg n GLU 52 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2wdg h VAL 53 N 0.00 0.00 -0.83 2.62 2.07 -1.39 0.41 116.25 119.13 2wdg h VAL 53 Ca 0.50 -0.01 0.18 0.00 0.82 0.00 0.00 66.70 68.19 2wdg h VAL 53 Cb 1.05 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 2wdg h VAL 53 CO -0.76 0.00 0.55 0.58 0.02 0.00 0.00 177.57 177.96 2wdg h VAL 54 N -0.03 0.74 -0.05 2.57 2.07 0.01 0.36 116.25 121.92 2wdg h VAL 54 Ca -0.00 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 2wdg h VAL 54 Cb 0.02 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 2wdg h VAL 54 CO 0.00 0.08 0.03 -0.09 0.02 0.00 0.00 177.57 177.61 2wdg h ARG 55 N 0.41 0.07 -0.39 1.57 2.43 0.24 0.74 114.38 119.46 2wdg h ARG 55 Ca 0.42 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.54 2wdg h ARG 55 Cb 1.01 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 2wdg h ARG 55 CO -0.15 0.13 0.09 1.25 -1.51 0.00 0.00 179.97 179.78 2wdg h LEU 56 N 0.00 0.60 -0.70 3.80 7.12 0.17 -2.95 115.31 123.35 2wdg h LEU 56 Ca 0.02 -0.24 0.01 0.00 0.13 0.00 0.00 57.88 57.80 2wdg h LEU 56 Cb 0.07 -0.16 -0.04 0.00 -0.53 0.00 0.00 40.66 40.01 2wdg h LEU 56 CO -0.00 0.68 0.46 -0.09 -0.13 0.00 0.00 178.44 179.37 2wdg h ARG 57 N 0.49 0.92 -0.50 1.25 2.43 -0.05 -2.32 114.38 116.59 2wdg h ARG 57 Ca 0.12 -0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.34 2wdg h ARG 57 Cb 0.32 -0.21 -0.10 0.00 -0.42 0.00 0.00 29.97 29.57 2wdg h ARG 57 CO 0.00 0.61 -0.14 0.93 -1.51 0.00 0.00 179.97 179.86 2wdg h GLU 58 N 0.95 -0.02 0.00 0.20 4.39 0.67 -0.21 114.58 120.55 2wdg h GLU 58 Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 2wdg h GLU 58 Cb -0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2wdg h GLU 58 CO -0.06 -0.01 0.00 0.98 -1.16 0.00 0.00 179.01 178.76 2wdg n TYR 59 N -5.37 0.00 -0.17 4.33 9.36 -0.91 -2.93 117.16 121.47 2wdg n TYR 59 Ca 0.05 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.22 2wdg n TYR 59 Cb 0.28 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 38.95 2wdg n TYR 59 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2wdg n VAL 60 N 0.00 -0.27 0.24 2.97 0.31 -0.97 0.18 118.33 120.79 2wdg n VAL 60 Ca 0.00 1.27 0.18 0.00 -0.01 0.00 0.00 64.34 65.78 2wdg n VAL 60 Cb 0.00 -1.60 0.82 0.00 -0.91 0.00 0.00 33.84 32.15 2wdg n VAL 60 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2wdg h GLU 61 N 0.00 0.00 0.00 5.55 4.81 -1.19 -2.93 114.58 120.82 2wdg h GLU 61 Ca 0.06 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.17 2wdg h GLU 61 Cb 0.16 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2wdg h GLU 61 CO -0.37 0.00 -1.46 0.09 -0.73 0.00 0.00 179.01 176.54 2wdg n ASN 62 N -3.28 3.38 0.24 1.04 4.13 0.69 -4.69 115.26 116.78 2wdg n ASN 62 Ca 0.01 -0.03 0.14 0.00 1.68 0.00 0.00 54.58 56.39 2wdg n ASN 62 Cb 0.44 0.14 0.62 0.00 -1.54 0.00 0.00 39.78 39.43 2wdg n ASN 62 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 2wdg h THR 63 N 0.00 0.08 0.00 3.41 2.02 0.22 -3.45 112.91 115.18 2wdg h THR 63 Ca -0.18 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2wdg h THR 63 Cb 1.32 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 2wdg h THR 63 CO -0.02 0.00 0.00 -2.67 0.37 0.00 0.00 175.52 173.20 2wdg n TRP 64 N -3.01 0.00 -3.65 3.16 2.14 -1.22 -5.02 117.44 109.84 2wdg n TRP 64 Ca 0.02 0.00 -0.02 0.00 2.07 0.00 0.00 57.50 59.57 2wdg n TRP 64 Cb 0.63 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 31.07 2wdg n TRP 64 CO 0.00 0.00 0.00 0.21 2.07 0.00 0.00 177.69 179.97 2wdg s LYS 65 N 4.57 0.08 0.00 -2.67 2.20 -1.26 -4.93 119.74 117.72 2wdg s LYS 65 Ca 0.00 0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.71 2wdg s LYS 65 Cb 0.00 0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 2wdg s LYS 65 CO 0.00 -0.01 0.00 1.28 -0.36 0.00 0.00 175.35 176.26 2wdg n LEU 66 N 1.99 0.00 -2.57 5.43 4.77 -0.98 -4.89 117.00 120.75 2wdg n LEU 66 Ca -0.12 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.56 2wdg n LEU 66 Cb 0.57 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.58 2wdg n LEU 66 CO 0.02 0.00 1.15 1.21 -1.33 0.00 0.00 177.39 178.45 2wdg n GLU 67 N -0.51 0.00 0.00 3.23 4.07 -0.52 0.44 120.64 127.34 2wdg n GLU 67 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2wdg n GLU 67 Cb 0.00 -0.88 0.00 0.00 -0.06 0.00 0.00 31.44 30.50 2wdg n GLU 67 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wdg n GLY 68 N 4.16 2.02 2.90 8.31 0.00 -1.26 -4.64 105.19 116.68 2wdg n GLY 68 Ca 0.35 -0.51 -0.01 0.00 0.00 0.00 0.00 46.02 45.86 2wdg n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wdg s GLU 69 N 0.00 0.60 0.00 1.61 2.56 -1.06 -0.03 118.70 122.38 2wdg s GLU 69 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.97 54.60 2wdg s GLU 69 Cb 0.00 0.03 0.00 0.00 2.00 0.00 0.00 34.13 36.16 2wdg s GLU 69 CO 0.00 -0.81 0.00 -0.11 -0.56 0.00 0.00 175.26 173.78 2wdg n LEU 70 N 3.60 -0.00 -0.40 2.70 0.00 0.17 -4.51 117.00 118.57 2wdg n LEU 70 Ca 0.11 0.00 0.35 0.00 0.00 0.00 0.00 56.01 56.47 2wdg n LEU 70 Cb 0.60 0.00 0.60 0.00 0.00 0.00 0.00 43.42 44.62 2wdg n LEU 70 CO -0.05 -0.50 1.09 -1.14 0.00 0.00 0.00 177.39 176.78 2wdg n ARG 71 N -2.50 -0.04 0.05 1.96 0.63 -1.14 0.31 116.66 115.92 2wdg n ARG 71 Ca 0.00 1.19 0.14 0.00 -0.92 0.00 0.00 57.85 58.26 2wdg n ARG 71 Cb 0.00 -2.29 0.52 0.00 0.45 0.00 0.00 32.46 31.15 2wdg n ARG 71 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdg n ALA 72 N -2.47 2.32 0.04 5.13 0.00 0.96 -1.69 120.51 124.80 2wdg n ALA 72 Ca 0.37 -0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.62 2wdg n ALA 72 Cb 1.38 -1.47 -0.14 0.00 0.00 0.00 0.00 19.45 19.22 2wdg n ALA 72 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2wdg h GLU 73 N 0.00 0.12 0.00 0.00 4.81 0.45 -2.99 114.58 116.98 2wdg h GLU 73 Ca 0.00 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 2wdg h GLU 73 Cb 0.60 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2wdg h GLU 73 CO 0.00 0.95 0.00 0.28 -0.73 0.00 0.00 179.01 179.51 2wdg h VAL 74 N 0.03 0.00 0.00 0.32 2.07 -1.26 -2.80 116.25 114.62 2wdg h VAL 74 Ca -0.19 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.59 2wdg h VAL 74 Cb 1.95 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 33.44 2wdg h VAL 74 CO 0.13 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.72 2wdg n ALA 75 N -2.01 0.00 0.27 1.67 0.00 -0.68 -2.56 120.51 117.20 2wdg n ALA 75 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.60 2wdg n ALA 75 Cb 0.44 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.57 2wdg n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdg h ALA 76 N -2.00 1.24 0.35 0.00 0.00 -1.68 -2.37 119.26 114.81 2wdg h ALA 76 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2wdg h ALA 76 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wdg h ALA 76 CO 0.00 -0.24 -0.21 -0.97 0.00 0.00 0.00 179.25 177.83 2wdg h ASN 77 N 0.00 -0.52 -0.08 0.00 -0.73 -1.34 -0.57 115.58 112.34 2wdg h ASN 77 Ca 0.00 0.03 0.02 0.00 1.87 0.00 0.00 56.30 58.22 2wdg h ASN 77 Cb 0.55 0.15 -0.00 0.00 0.27 0.00 0.00 38.32 39.29 2wdg h ASN 77 CO 0.00 -0.32 0.08 0.40 -0.37 0.00 0.00 177.43 177.22 2wdg h ILE 78 N -0.52 0.56 0.62 2.57 2.04 -1.15 -1.92 117.51 119.71 2wdg h ILE 78 Ca -0.05 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 2wdg h ILE 78 Cb 0.41 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 2wdg h ILE 78 CO 0.05 0.00 -0.43 0.11 0.00 0.00 0.00 178.15 177.89 2wdg h LYS 79 N 0.00 -0.96 -0.55 2.37 1.57 -1.09 -2.84 116.57 115.06 2wdg h LYS 79 Ca 0.04 0.07 0.18 0.00 -1.87 0.00 0.00 60.65 59.07 2wdg h LYS 79 Cb 0.20 0.22 -0.10 0.00 0.08 0.00 0.00 32.23 32.62 2wdg h LYS 79 CO -0.00 -0.64 0.13 -2.13 -0.57 0.00 0.00 179.45 176.23 2wdg n ARG 80 N -5.55 -0.04 0.00 3.15 0.63 -0.29 0.19 116.66 114.75 2wdg n ARG 80 Ca -0.13 0.81 0.00 0.00 -0.92 0.00 0.00 57.85 57.61 2wdg n ARG 80 Cb 0.44 -1.34 0.00 0.00 0.45 0.00 0.00 32.46 32.00 2wdg n ARG 80 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2wdg n LEU 81 N -4.51 0.01 -1.61 6.15 4.77 -1.07 -1.53 117.00 119.20 2wdg n LEU 81 Ca 0.16 -0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.17 2wdg n LEU 81 Cb 0.54 -0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.92 2wdg n LEU 81 CO -0.02 0.00 0.77 1.15 -1.33 0.00 0.00 177.39 177.96 2wdg n MET 82 N -0.47 3.77 0.00 3.23 0.00 0.49 -4.18 117.12 119.96 2wdg n MET 82 Ca 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 57.70 55.30 2wdg n MET 82 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 33.22 31.15 2wdg n MET 82 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2wdg n ASP 83 N 0.34 0.00 0.09 3.17 3.85 -0.58 -4.61 116.55 118.81 2wdg n ASP 83 Ca 0.24 0.00 0.09 0.00 -0.71 0.00 0.00 54.79 54.41 2wdg n ASP 83 Cb 1.03 0.00 0.42 0.00 -1.35 0.00 0.00 41.12 41.21 2wdg n ASP 83 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 2wdg n ILE 84 N 0.00 1.05 0.00 2.12 2.08 -1.26 -4.80 119.36 118.54 2wdg n ILE 84 Ca 0.00 0.38 0.00 0.00 0.56 0.00 0.00 62.75 63.69 2wdg n ILE 84 Cb 0.00 -1.29 0.00 0.00 -0.75 0.00 0.00 39.64 37.60 2wdg n ILE 84 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2wdg n GLY 85 N -0.46 0.62 3.58 7.39 0.00 -1.26 -5.09 105.19 109.97 2wdg n GLY 85 Ca 0.01 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 2wdg n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdg h TYR 87 N 1.31 -0.43 -0.10 0.00 3.20 -1.94 0.60 116.97 119.61 2wdg h TYR 87 Ca -0.44 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.49 2wdg h TYR 87 Cb 1.35 0.23 -0.00 0.00 1.54 0.00 0.00 36.73 39.85 2wdg h TYR 87 CO 0.42 -0.24 0.26 -0.09 -1.64 0.00 0.00 178.16 176.86 2wdg h ARG 88 N -0.15 0.00 0.10 1.82 2.43 -1.91 0.11 114.38 116.77 2wdg h ARG 88 Ca 0.14 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2wdg h ARG 88 Cb 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2wdg h ARG 88 CO -0.35 0.00 -0.05 0.78 -1.51 0.00 0.00 179.97 178.84 2wdg h GLY 89 N 0.00 -0.14 -0.94 2.80 0.00 -0.07 -3.36 103.07 101.35 2wdg h GLY 89 Ca 0.05 0.05 -0.39 0.00 0.00 0.00 0.00 47.33 47.04 2wdg h GLY 89 CO -0.00 -0.05 -0.05 1.08 0.00 0.00 0.00 176.54 177.52 2wdg s LEU 90 N -9.01 -0.69 0.00 3.11 1.43 0.36 0.65 118.68 114.53 2wdg s LEU 90 Ca -0.14 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 2wdg s LEU 90 Cb 0.01 -2.20 0.00 0.00 0.03 0.00 0.00 46.19 44.02 2wdg s LEU 90 CO 0.56 -5.10 0.00 0.54 0.23 0.00 0.00 176.35 172.58 2wdg n ARG 91 N -5.44 0.00 -0.10 1.70 5.12 -1.26 -3.60 116.66 113.09 2wdg n ARG 91 Ca 0.14 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.92 2wdg n ARG 91 Cb 0.60 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.86 2wdg n ARG 91 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2wdg h HIS 92 N 0.00 0.97 -0.70 -1.55 3.86 -1.54 0.84 115.15 117.02 2wdg h HIS 92 Ca 0.00 -0.31 0.06 0.00 -1.16 0.00 0.00 60.37 58.96 2wdg h HIS 92 Cb 0.00 -0.20 -0.06 0.00 1.06 0.00 0.00 27.41 28.22 2wdg h HIS 92 CO 0.00 1.09 0.40 -0.09 0.86 0.00 0.00 177.93 180.20 2wdg h ARG 93 N 0.56 0.72 -2.15 2.45 9.65 0.15 -3.18 114.38 122.59 2wdg h ARG 93 Ca 0.04 -0.04 -0.55 0.00 -1.10 0.00 0.00 59.98 58.33 2wdg h ARG 93 Cb 0.96 -0.16 -0.41 0.00 -1.39 0.00 0.00 29.97 28.97 2wdg h ARG 93 CO 0.09 0.48 -0.88 0.54 2.80 0.00 0.00 179.97 183.00 2wdg n ARG 94 N -4.75 2.13 -0.83 0.20 3.00 -1.12 -5.04 116.66 110.25 2wdg n ARG 94 Ca 0.09 -4.17 0.00 0.00 -0.01 0.00 0.00 57.85 53.76 2wdg n ARG 94 Cb 0.17 -1.96 0.00 0.00 0.00 0.00 0.00 32.46 30.67 2wdg n ARG 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wdg n GLY 95 N 0.22 0.00 0.00 -0.13 0.00 0.12 -4.61 105.19 100.78 2wdg n GLY 95 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2wdg n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wdg n LEU 96 N 1.44 0.00 -4.76 0.99 4.77 0.25 -4.89 117.00 114.80 2wdg n LEU 96 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.60 2wdg n LEU 96 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 2wdg n LEU 96 CO 0.00 0.00 0.12 -2.16 -1.33 0.00 0.00 177.39 174.02 2wdg s PRO 97 N -2.00 4.18 -1.02 3.23 0.04 -1.26 -3.78 135.00 134.39 2wdg s PRO 97 Ca 0.00 0.39 -0.05 0.00 0.04 0.00 0.00 61.00 61.38 2wdg s PRO 97 Cb 0.00 -3.36 0.27 0.00 0.04 0.00 0.00 34.50 31.45 2wdg s PRO 97 CO 0.00 0.36 1.10 0.28 0.04 0.00 0.00 177.00 178.78 2wdg n VAL 98 N 2.99 4.22 -2.55 -0.36 0.31 -1.26 -2.98 118.33 118.70 2wdg n VAL 98 Ca -0.10 -5.45 -0.10 0.00 -0.01 0.00 0.00 64.34 58.69 2wdg n VAL 98 Cb 0.52 -2.37 0.04 0.00 -0.91 0.00 0.00 33.84 31.11 2wdg n VAL 98 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wdg n ARG 99 N 2.11 2.36 -2.17 5.55 1.74 -1.26 -4.92 116.66 120.08 2wdg n ARG 99 Ca 0.24 -3.74 -0.00 0.00 -0.77 0.00 0.00 57.85 53.58 2wdg n ARG 99 Cb 0.37 -1.82 -0.00 0.00 -1.02 0.00 0.00 32.46 29.99 2wdg n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdg n GLY 100 N -0.59 -0.29 3.39 -0.13 0.00 -1.16 -5.06 105.19 101.34 2wdg n GLY 100 Ca 0.20 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 2wdg n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wdg n GLN 101 N 2.07 0.93 -1.89 1.61 6.02 -1.26 -5.09 117.38 119.77 2wdg n GLN 101 Ca -0.00 -2.24 -0.31 0.00 -0.01 0.00 0.00 57.00 54.44 2wdg n GLN 101 Cb 0.00 2.56 -0.04 0.00 1.02 0.00 0.00 30.24 33.79 2wdg n GLN 101 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2wdg s ARG 102 N -2.29 2.36 0.06 -1.09 1.81 -1.26 -4.77 118.95 113.77 2wdg s ARG 102 Ca 0.19 0.46 0.26 0.00 -1.72 0.00 0.00 55.73 54.92 2wdg s ARG 102 Cb -0.03 -4.68 0.73 0.00 -0.45 0.00 0.00 34.95 30.51 2wdg s ARG 102 CO 0.14 -3.28 1.60 0.25 -0.68 0.00 0.00 175.30 173.33 2wdg n THR 103 N 7.78 0.17 0.00 0.02 -2.24 -1.26 -4.23 114.28 114.52 2wdg n THR 103 Ca 0.33 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 2wdg n THR 103 Cb 0.50 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 2wdg n THR 103 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2wdg n ARG 104 N -1.75 0.00 -1.57 -0.78 0.63 -1.26 -4.78 116.66 107.15 2wdg n ARG 104 Ca 0.05 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.69 2wdg n ARG 104 Cb 0.37 -0.14 0.10 0.00 0.45 0.00 0.00 32.46 33.25 2wdg n ARG 104 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2wdg s THR 105 N 0.00 2.80 0.00 5.15 -4.23 -1.26 -4.85 115.64 113.25 2wdg s THR 105 Ca 0.00 0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.77 2wdg s THR 105 Cb 0.00 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.82 2wdg s THR 105 CO 0.00 -0.34 0.00 0.59 -0.54 0.00 0.00 174.62 174.33 2wdg n ASN 106 N -3.50 -2.64 -0.91 3.99 4.13 -1.26 -4.84 115.26 110.23 2wdg n ASN 106 Ca 0.07 0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.29 2wdg n ASN 106 Cb 0.57 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.82 2wdg n ASN 106 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wdg n ALA 107 N 1.33 -0.20 0.07 5.41 0.00 -1.26 -4.79 120.51 121.07 2wdg n ALA 107 Ca 0.00 0.06 -0.16 0.00 0.00 0.00 0.00 53.44 53.34 2wdg n ALA 107 Cb 0.00 -1.26 -0.08 0.00 0.00 0.00 0.00 19.45 18.11 2wdg n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdg h ARG 108 N -0.38 0.48 0.00 0.00 -0.00 -1.92 -3.32 114.38 109.24 2wdg h ARG 108 Ca -0.10 -0.57 0.00 0.00 -0.50 0.00 0.00 59.98 58.82 2wdg h ARG 108 Cb 1.06 0.17 0.00 0.00 0.00 0.00 0.00 29.97 31.21 2wdg h ARG 108 CO 0.10 1.21 0.30 1.15 0.00 0.00 0.00 179.97 182.73 2wdg h THR 109 N 0.24 0.00 -0.10 2.04 2.02 -1.99 0.14 112.91 115.27 2wdg h THR 109 Ca -0.12 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2wdg h THR 109 Cb 1.71 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 2wdg h THR 109 CO 0.19 0.00 0.00 0.54 0.37 0.00 0.00 175.52 176.62 2wdg n ARG 110 N -2.48 2.86 -3.94 6.66 1.74 -1.25 -4.96 116.66 115.29 2wdg n ARG 110 Ca -0.01 -1.75 -0.29 0.00 -0.77 0.00 0.00 57.85 55.03 2wdg n ARG 110 Cb 0.34 -1.12 -0.16 0.00 -1.02 0.00 0.00 32.46 30.49 2wdg n ARG 110 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2wdg s LYS 111 N -1.16 1.74 -0.31 5.56 1.02 0.50 -4.43 119.74 122.65 2wdg s LYS 111 Ca 0.09 -0.55 -0.01 0.00 0.02 0.00 0.00 55.97 55.52 2wdg s LYS 111 Cb 0.06 -2.04 0.06 0.00 -0.52 0.00 0.00 37.83 35.39 2wdg s LYS 111 CO 0.05 -0.37 0.02 0.20 -0.92 0.00 0.00 175.35 174.33 2wdg s GLY 112 N 1.57 1.79 0.40 -3.33 0.00 -1.26 -4.81 107.32 101.68 2wdg s GLY 112 Ca 0.02 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 42.85 2wdg s GLY 112 CO -0.08 0.74 0.00 -1.55 0.00 0.00 0.00 173.10 172.21 2wdg n PRO 113 N 4.59 -2.65 -4.38 2.90 -0.04 -1.26 -4.71 135.00 129.45 2wdg n PRO 113 Ca -0.11 1.95 -0.33 0.00 -0.04 0.00 0.00 63.50 64.97 2wdg n PRO 113 Cb 0.43 -3.17 -0.16 0.00 -0.04 0.00 0.00 33.50 30.56 2wdg n PRO 113 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2wdg s ARG 114 N -2.94 3.12 0.00 0.54 0.52 -1.26 -4.96 118.95 113.97 2wdg s ARG 114 Ca 0.00 -0.78 0.22 0.00 -0.52 0.00 0.00 55.73 54.64 2wdg s ARG 114 Cb 0.00 -2.60 1.18 0.00 0.52 0.00 0.00 34.95 34.05 2wdg s ARG 114 CO 0.00 -0.08 1.69 1.63 0.02 0.00 0.00 175.30 178.57 2wdg n LYS 115 N 4.30 0.46 0.00 3.54 4.01 -1.26 -4.89 118.16 124.32 2wdg n LYS 115 Ca -0.20 0.05 0.00 0.00 -0.51 0.00 0.00 58.31 57.65 2wdg n LYS 115 Cb 0.51 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.53 2wdg n LYS 115 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2wdg n THR 116 N -1.17 0.00 -0.51 -0.18 -1.04 -1.26 -4.93 114.28 105.18 2wdg n THR 116 Ca 0.13 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.20 2wdg n THR 116 Cb 0.13 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.61 2wdg n THR 116 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2wdg n VAL 117 N 0.00 -0.28 -4.08 12.58 0.31 -1.26 -5.09 118.33 120.51 2wdg n VAL 117 Ca 0.00 0.31 -0.10 0.00 -0.01 0.00 0.00 64.34 64.54 2wdg n VAL 117 Cb 0.00 -0.48 -0.08 0.00 -0.91 0.00 0.00 33.84 32.37 2wdg n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdg s ALA 118 N -3.28 0.45 0.30 3.52 0.00 -1.26 -5.15 121.76 116.34 2wdg s ALA 118 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.71 2wdg s ALA 118 Cb 0.00 1.13 0.01 0.00 0.00 0.00 0.00 23.12 24.26 2wdg s ALA 118 CO 0.00 -0.68 0.05 0.41 0.00 0.00 0.00 175.76 175.54 2wdg n GLY 119 N -0.28 1.08 3.52 0.00 0.00 -1.26 -5.08 105.19 103.18 2wdg n GLY 119 Ca -0.02 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 2wdg n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdg s LYS 120 N -2.41 3.33 0.89 1.61 -0.14 -1.26 -5.05 119.74 116.71 2wdg s LYS 120 Ca 0.03 -0.30 -0.13 0.00 -1.36 0.00 0.00 55.97 54.20 2wdg s LYS 120 Cb -0.00 -3.94 0.20 0.00 -1.68 0.00 0.00 37.83 32.41 2wdg s LYS 120 CO 0.02 -1.00 1.22 1.63 -0.76 0.00 0.00 175.35 176.46 2wdg n LYS 121 N 6.30 -1.06 -2.57 1.68 5.02 -1.26 -5.12 118.16 121.15 2wdg n LYS 121 Ca -0.01 -2.05 -0.06 0.00 -2.02 0.00 0.00 58.31 54.17 2wdg n LYS 121 Cb 0.48 -1.20 -0.02 0.00 -0.02 0.00 0.00 35.03 34.27 2wdg n LYS 121 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wdg n LYS 122 N -3.54 1.17 -3.73 1.97 5.02 -1.26 -5.14 118.16 112.66 2wdg n LYS 122 Ca 0.16 -0.80 -0.38 0.00 -2.02 0.00 0.00 58.31 55.26 2wdg n LYS 122 Cb 0.55 0.35 -0.12 0.00 -0.02 0.00 0.00 35.03 35.79 2wdg n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wdg s ALA 123 N -2.23 3.09 -1.51 7.82 0.00 -1.26 -4.99 121.76 122.68 2wdg s ALA 123 Ca 0.03 -1.81 0.01 0.00 0.00 0.00 0.00 51.96 50.19 2wdg s ALA 123 Cb 0.00 -2.34 0.03 0.00 0.00 0.00 0.00 23.12 20.82 2wdg s ALA 123 CO 0.02 -1.39 0.80 -0.35 0.00 0.00 0.00 175.76 174.85 2wdg n PRO 124 N 4.83 1.13 -0.31 0.00 -0.04 -1.26 -4.92 135.00 134.42 2wdg n PRO 124 Ca -0.12 -0.14 -0.28 0.00 -0.04 0.00 0.00 63.50 62.92 2wdg n PRO 124 Cb 0.44 -1.27 0.26 0.00 -0.04 0.00 0.00 33.50 32.90 2wdg n PRO 124 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wdg n ARG 125 N -0.19 -4.12 0.00 0.54 5.12 -1.26 -5.39 116.66 111.35 2wdg n ARG 125 Ca 0.01 -1.22 0.00 0.00 -1.93 0.00 0.00 57.85 54.71 2wdg n ARG 125 Cb 0.16 -1.87 0.00 0.00 -1.16 0.00 0.00 32.46 29.59 2wdg n ARG 125 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87