#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f4f s LEU 3 N 0.00 3.87 0.35 -4.62 2.96 -1.26 -4.89 118.68 115.08 2f4f s LEU 3 Ca 0.00 2.68 0.03 0.00 -0.22 0.00 0.00 54.13 56.63 2f4f s LEU 3 Cb 0.00 -4.28 -0.05 0.00 0.50 0.00 0.00 46.19 42.36 2f4f s LEU 3 CO 0.00 -1.48 0.08 -0.54 -1.32 0.00 0.00 176.35 173.10 2f4f s LYS 4 N -2.89 1.72 0.03 1.98 1.02 0.36 -4.95 119.74 117.02 2f4f s LYS 4 Ca 0.71 -1.99 -0.11 0.00 0.02 0.00 0.00 55.97 54.60 2f4f s LYS 4 Cb -0.38 -0.74 0.01 0.00 -0.52 0.00 0.00 37.83 36.19 2f4f s LYS 4 CO 0.45 -0.29 0.23 -1.54 -0.92 0.00 0.00 175.35 173.28 2f4f s SER 5 N -3.51 -0.02 0.00 2.83 1.04 -1.26 0.75 113.70 113.53 2f4f s SER 5 Ca 0.32 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2f4f s SER 5 Cb 0.07 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2f4f s SER 5 CO 0.15 -0.55 0.00 0.35 0.98 0.00 0.00 173.24 174.17 2f4f n THR 6 N 0.78 0.00 0.00 2.02 -2.24 0.22 -4.99 114.28 110.07 2f4f n THR 6 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2f4f n THR 6 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 2f4f n THR 6 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2f4f n ARG 7 N 0.00 0.00 -2.44 -0.78 0.63 -1.26 -3.84 116.66 108.97 2f4f n ARG 7 Ca 0.00 0.90 -0.13 0.00 -0.92 0.00 0.00 57.85 57.70 2f4f n ARG 7 Cb 0.00 -1.49 0.03 0.00 0.45 0.00 0.00 32.46 31.46 2f4f n ARG 7 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 2f4f n HIS 8 N -2.78 2.04 -3.80 -0.14 1.44 -1.26 -5.06 115.22 105.67 2f4f n HIS 8 Ca 0.00 -2.26 -0.13 0.00 -2.01 0.00 0.00 57.72 53.33 2f4f n HIS 8 Cb 0.00 -0.28 -0.10 0.00 0.12 0.00 0.00 29.99 29.73 2f4f n HIS 8 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 2f4f s THR 9 N -4.22 0.03 -0.16 0.61 -4.23 -1.25 -5.13 115.64 101.29 2f4f s THR 9 Ca 0.39 -0.25 -0.03 0.00 -1.18 0.00 0.00 61.69 60.62 2f4f s THR 9 Cb 0.37 -0.44 -0.02 0.00 1.34 0.00 0.00 72.50 73.76 2f4f s THR 9 CO -0.01 -0.14 -0.07 -0.54 -0.54 0.00 0.00 174.62 173.33 2f4f s LYS 10 N -0.51 3.51 0.03 3.99 -0.14 -1.26 -0.61 119.74 124.75 2f4f s LYS 10 Ca -0.06 -0.60 -0.06 0.00 -1.36 0.00 0.00 55.97 53.89 2f4f s LYS 10 Cb -0.04 -2.85 -0.01 0.00 -1.68 0.00 0.00 37.83 33.25 2f4f s LYS 10 CO 0.01 0.12 0.11 1.52 -0.76 0.00 0.00 175.35 176.35 2f4f s TYR 11 N 0.65 0.16 -0.30 3.18 -0.85 0.23 -4.96 117.35 115.47 2f4f s TYR 11 Ca -0.04 -0.43 -0.03 0.00 -0.52 0.00 0.00 57.07 56.05 2f4f s TYR 11 Cb -0.15 -0.12 0.11 0.00 0.38 0.00 0.00 41.96 42.19 2f4f s TYR 11 CO 0.02 -0.36 0.18 -1.17 -1.52 0.00 0.00 175.55 172.70 2f4f s LEU 12 N -2.03 0.44 -0.39 -3.49 1.98 -1.26 -0.48 118.68 113.43 2f4f s LEU 12 Ca -0.06 -1.33 0.03 0.00 -2.89 0.00 0.00 54.13 49.87 2f4f s LEU 12 Cb -0.02 -0.17 0.11 0.00 0.66 0.00 0.00 46.19 46.77 2f4f s LEU 12 CO -0.04 -0.41 0.14 0.00 -1.89 0.00 0.00 176.35 174.16 2f4f s ASN 14 N 0.67 4.67 0.01 0.00 0.01 -1.26 -0.51 114.94 118.54 2f4f s ASN 14 Ca 0.13 -0.07 0.02 0.00 -0.71 0.00 0.00 52.86 52.23 2f4f s ASN 14 Cb -0.21 -1.41 -0.01 0.00 0.41 0.00 0.00 41.25 40.02 2f4f s ASN 14 CO -0.08 0.29 -0.06 -0.31 -1.51 0.00 0.00 177.10 175.43 2f4f s TYR 15 N -0.35 0.50 -0.23 2.20 1.51 -0.03 -1.13 117.35 119.81 2f4f s TYR 15 Ca 0.05 -0.24 -0.09 0.00 -1.01 0.00 0.00 57.07 55.77 2f4f s TYR 15 Cb -0.12 -0.31 -0.04 0.00 -0.11 0.00 0.00 41.96 41.37 2f4f s TYR 15 CO 0.02 -0.04 0.13 -1.01 -1.11 0.00 0.00 175.55 173.54 2f4f s HIS 16 N -0.61 3.26 -0.11 2.71 3.76 -0.02 -1.23 115.29 123.05 2f4f s HIS 16 Ca -0.03 0.08 0.02 0.00 -0.15 0.00 0.00 55.06 54.99 2f4f s HIS 16 Cb -0.05 -2.24 -0.00 0.00 1.11 0.00 0.00 32.58 31.40 2f4f s HIS 16 CO -0.00 -0.01 -0.20 -0.06 -0.85 0.00 0.00 174.74 173.62 2f4f s PHE 17 N 1.08 2.66 -0.03 1.40 0.40 0.22 -1.75 117.98 121.96 2f4f s PHE 17 Ca 0.06 -0.93 0.01 0.00 -0.60 0.00 0.00 56.93 55.48 2f4f s PHE 17 Cb -0.14 -1.77 0.01 0.00 0.51 0.00 0.00 43.02 41.64 2f4f s PHE 17 CO 0.04 -0.36 -0.06 0.08 0.70 0.00 0.00 175.22 175.62 2f4f s VAL 18 N 0.39 0.58 0.17 -0.44 1.01 -0.41 -0.12 120.40 121.57 2f4f s VAL 18 Ca -0.15 -0.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 2f4f s VAL 18 Cb -0.17 -0.57 0.03 0.00 0.00 0.00 0.00 36.38 35.67 2f4f s VAL 18 CO 0.07 0.21 0.46 -1.66 0.00 0.00 0.00 175.10 174.18 2f4f s TRP 19 N 0.60 -0.11 0.24 5.22 -2.14 -1.01 -0.53 118.94 121.21 2f4f s TRP 19 Ca -0.08 -0.22 0.09 0.00 2.66 0.00 0.00 56.10 58.55 2f4f s TRP 19 Cb -0.12 0.31 -0.05 0.00 -3.10 0.00 0.00 33.47 30.51 2f4f s TRP 19 CO 0.00 -0.82 -0.14 0.96 -2.66 0.00 0.00 176.95 174.29 2f4f s ILE 20 N -3.85 1.95 0.71 0.66 -4.36 -1.26 -0.98 121.20 114.06 2f4f s ILE 20 Ca 0.07 -2.25 -0.11 0.00 -0.26 0.00 0.00 60.65 58.10 2f4f s ILE 20 Cb 0.00 -2.21 0.02 0.00 1.25 0.00 0.00 42.46 41.52 2f4f s ILE 20 CO -0.06 -0.48 1.07 -2.16 0.24 0.00 0.00 174.94 173.56 2f4f s PRO 21 N -3.62 2.83 -0.21 0.37 0.04 -1.26 -3.25 135.00 129.90 2f4f s PRO 21 Ca 0.26 0.68 -0.25 0.00 0.04 0.00 0.00 61.00 61.73 2f4f s PRO 21 Cb -0.01 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 2f4f s PRO 21 CO 0.10 -1.10 0.83 0.21 0.04 0.00 0.00 177.00 177.08 2f4f s LYS 22 N -5.20 4.23 0.00 4.56 2.20 -0.12 -4.51 119.74 120.91 2f4f s LYS 22 Ca 0.58 0.97 0.00 0.00 -0.36 0.00 0.00 55.97 57.16 2f4f s LYS 22 Cb -0.13 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.58 2f4f s LYS 22 CO 0.54 -0.43 0.00 0.72 -0.36 0.00 0.00 175.35 175.81 2f4f n HIS 23 N 5.67 0.00 -3.07 4.03 8.25 -1.26 -4.78 115.22 124.07 2f4f n HIS 23 Ca 0.05 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.07 2f4f n HIS 23 Cb 0.48 -0.33 -0.05 0.00 1.12 0.00 0.00 29.99 31.21 2f4f n HIS 23 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2f4f s ARG 24 N 0.00 3.10 -0.01 -0.41 0.52 -1.26 -4.86 118.95 116.03 2f4f s ARG 24 Ca 0.00 -1.04 0.20 0.00 -0.52 0.00 0.00 55.73 54.36 2f4f s ARG 24 Cb 0.00 -4.20 0.57 0.00 0.52 0.00 0.00 34.95 31.85 2f4f s ARG 24 CO 0.00 -1.49 1.48 -2.13 0.02 0.00 0.00 175.30 173.18 2f4f n ARG 25 N 6.59 2.56 -1.53 3.54 0.63 -1.26 -4.24 116.66 122.95 2f4f n ARG 25 Ca -0.07 -2.34 0.02 0.00 -0.92 0.00 0.00 57.85 54.55 2f4f n ARG 25 Cb 0.44 -1.52 0.01 0.00 0.45 0.00 0.00 32.46 31.84 2f4f n ARG 25 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2f4f n ASN 26 N 1.36 0.74 -0.07 6.15 3.02 -1.26 -4.39 115.26 120.81 2f4f n ASN 26 Ca 0.22 -2.00 -0.07 0.00 -0.03 0.00 0.00 54.58 52.69 2f4f n ASN 26 Cb 0.56 -0.22 -0.11 0.00 -0.61 0.00 0.00 39.78 39.40 2f4f n ASN 26 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2f4f n THR 27 N 0.34 0.96 -1.76 3.41 -1.04 -1.26 -4.67 114.28 110.26 2f4f n THR 27 Ca 0.01 -0.59 -0.42 0.00 -2.04 0.00 0.00 64.05 61.02 2f4f n THR 27 Cb 1.06 -0.65 -0.00 0.00 -1.82 0.00 0.00 70.33 68.93 2f4f n THR 27 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2f4f n LEU 28 N -2.53 7.07 -4.18 -4.42 4.77 -1.26 -4.57 117.00 111.88 2f4f n LEU 28 Ca -0.23 -4.23 -0.12 0.00 -0.03 0.00 0.00 56.01 51.40 2f4f n LEU 28 Cb 0.95 -1.62 -0.09 0.00 -2.33 0.00 0.00 43.42 40.32 2f4f n LEU 28 CO 0.29 1.26 -0.17 0.68 -1.33 0.00 0.00 177.39 178.12 2f4f s VAL 29 N 2.71 0.00 0.00 4.08 -7.23 -1.26 -3.57 120.40 115.13 2f4f s VAL 29 Ca 0.49 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 2f4f s VAL 29 Cb 0.14 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.62 2f4f s VAL 29 CO -0.08 0.00 0.00 0.59 -0.31 0.00 0.00 175.10 175.30 2f4f n ASN 30 N -0.39 0.00 -0.18 4.85 4.13 -1.26 -1.76 115.26 120.65 2f4f n ASN 30 Ca 0.02 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.33 2f4f n ASN 30 Cb 0.65 0.00 0.33 0.00 -1.54 0.00 0.00 39.78 39.23 2f4f n ASN 30 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2f4f h GLU 31 N 0.00 0.77 -0.41 3.52 3.07 -1.99 -1.70 114.58 117.85 2f4f h GLU 31 Ca 0.00 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.71 2f4f h GLU 31 Cb 0.00 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.72 2f4f h GLU 31 CO 0.00 0.51 -0.14 0.82 -1.40 0.00 0.00 179.01 178.80 2f4f h ILE 32 N 0.80 1.28 -0.53 3.13 2.04 -1.63 -1.18 117.51 121.42 2f4f h ILE 32 Ca 0.30 -1.26 -0.06 0.00 1.00 0.00 0.00 64.86 64.84 2f4f h ILE 32 Cb 0.17 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 2f4f h ILE 32 CO -0.09 0.43 0.11 0.00 0.00 0.00 0.00 178.15 178.59 2f4f h ALA 33 N 0.84 0.70 0.04 1.87 0.00 -0.97 -1.16 119.26 120.58 2f4f h ALA 33 Ca 0.10 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2f4f h ALA 33 Cb 0.69 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2f4f h ALA 33 CO 0.05 0.42 -0.07 0.93 0.00 0.00 0.00 179.25 180.57 2f4f h GLU 34 N 0.75 -0.14 -0.52 0.00 5.08 -1.18 -1.76 114.58 116.80 2f4f h GLU 34 Ca 0.16 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 2f4f h GLU 34 Cb 0.37 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2f4f h GLU 34 CO 0.01 -0.10 0.08 -0.92 -1.00 0.00 0.00 179.01 177.08 2f4f h TYR 35 N -0.15 0.87 -0.76 4.33 3.20 -1.14 -1.93 116.97 121.39 2f4f h TYR 35 Ca 0.02 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 2f4f h TYR 35 Cb 0.16 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 2f4f h TYR 35 CO -0.12 0.76 0.42 1.15 -1.64 0.00 0.00 178.16 178.72 2f4f h THR 36 N 0.79 1.23 -0.35 1.81 2.02 -0.92 0.11 112.91 117.60 2f4f h THR 36 Ca 0.17 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.74 2f4f h THR 36 Cb 0.36 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2f4f h THR 36 CO 0.01 0.25 0.05 0.50 0.37 0.00 0.00 175.52 176.70 2f4f h LYS 37 N 1.05 0.58 -0.58 6.66 3.64 -1.00 -1.25 116.57 125.67 2f4f h LYS 37 Ca 0.27 -0.16 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2f4f h LYS 37 Cb 0.03 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 2f4f h LYS 37 CO -0.04 0.66 0.39 0.93 -2.27 0.00 0.00 179.45 179.12 2f4f h GLU 38 N 0.42 0.77 -0.57 1.90 5.08 -0.89 -1.58 114.58 119.71 2f4f h GLU 38 Ca 0.11 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2f4f h GLU 38 Cb 0.36 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2f4f h GLU 38 CO 0.01 0.51 0.03 0.28 -1.00 0.00 0.00 179.01 178.84 2f4f h VAL 39 N 0.79 1.26 -0.25 3.13 2.07 -0.67 -1.33 116.25 121.25 2f4f h VAL 39 Ca 0.21 -1.09 -0.09 0.00 0.82 0.00 0.00 66.70 66.55 2f4f h VAL 39 Cb -0.09 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2f4f h VAL 39 CO -0.05 0.39 -0.25 -0.07 0.02 0.00 0.00 177.57 177.62 2f4f h LEU 40 N 0.89 0.48 -0.59 2.57 3.38 -1.01 -0.96 115.31 120.07 2f4f h LEU 40 Ca 0.17 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 2f4f h LEU 40 Cb 0.51 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2f4f h LEU 40 CO 0.02 0.73 -0.33 0.11 0.09 0.00 0.00 178.44 179.06 2f4f h LYS 41 N 0.43 0.76 -0.54 1.13 1.57 -1.08 -1.84 116.57 117.00 2f4f h LYS 41 Ca 0.06 -0.36 -0.10 0.00 -1.87 0.00 0.00 60.65 58.38 2f4f h LYS 41 Cb 0.66 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 2f4f h LYS 41 CO 0.05 0.98 -0.07 0.77 -0.57 0.00 0.00 179.45 180.61 2f4f h SER 42 N 0.64 0.98 -0.59 0.86 0.02 -0.84 -2.11 113.55 112.50 2f4f h SER 42 Ca 0.07 -0.30 -0.11 0.00 -0.84 0.00 0.00 61.79 60.61 2f4f h SER 42 Cb 0.87 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 2f4f h SER 42 CO 0.08 1.07 -0.04 0.40 -1.14 0.00 0.00 176.83 177.20 2f4f h ILE 43 N 0.89 1.27 -0.37 3.27 2.04 -1.07 -0.86 117.51 122.68 2f4f h ILE 43 Ca 0.15 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 2f4f h ILE 43 Cb 0.62 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 2f4f h ILE 43 CO 0.04 0.43 0.20 0.00 0.00 0.00 0.00 178.15 178.83 2f4f h ALA 44 N 0.97 0.47 -0.91 1.87 0.00 -1.17 -1.47 119.26 119.03 2f4f h ALA 44 Ca 0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2f4f h ALA 44 Cb 0.61 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2f4f h ALA 44 CO 0.04 0.00 0.50 1.49 0.00 0.00 0.00 179.25 181.28 2f4f h GLU 45 N 0.47 1.26 -0.60 0.00 4.22 -1.18 0.41 114.58 119.16 2f4f h GLU 45 Ca 0.13 -0.15 0.04 0.00 0.08 0.00 0.00 59.36 59.46 2f4f h GLU 45 Cb 0.06 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 2f4f h GLU 45 CO -0.02 0.92 0.34 1.49 -2.18 0.00 0.00 179.01 179.56 2f4f h GLU 46 N 1.27 0.63 -0.00 1.92 4.81 -0.67 -2.49 114.58 120.06 2f4f h GLU 46 Ca 0.32 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2f4f h GLU 46 Cb 0.02 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.26 2f4f h GLU 46 CO -0.05 0.42 -0.10 1.28 -0.73 0.00 0.00 179.01 179.82 2f4f n LEU 47 N -4.79 0.18 0.00 1.64 4.77 -0.60 -4.92 117.00 113.29 2f4f n LEU 47 Ca 0.06 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 2f4f n LEU 47 Cb 0.12 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 2f4f n LEU 47 CO 0.31 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2f4f n GLY 48 N 1.41 0.51 3.91 -0.72 0.00 -0.57 -4.82 105.19 104.91 2f4f n GLY 48 Ca 0.10 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 2f4f n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f4f s GLU 50 N -2.80 2.82 -0.01 0.00 2.12 0.95 -4.21 118.70 117.57 2f4f s GLU 50 Ca 0.39 -1.03 -0.30 0.00 0.36 0.00 0.00 54.97 54.39 2f4f s GLU 50 Cb -0.12 -3.27 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 2f4f s GLU 50 CO 0.26 -0.51 1.38 0.42 -0.54 0.00 0.00 175.26 176.27 2f4f s ILE 51 N 1.40 3.78 -0.11 -3.70 1.01 -1.26 -0.40 121.20 121.91 2f4f s ILE 51 Ca -0.00 1.15 -0.11 0.00 0.00 0.00 0.00 60.65 61.69 2f4f s ILE 51 Cb -0.18 -3.74 -0.27 0.00 0.01 0.00 0.00 42.46 38.28 2f4f s ILE 51 CO 0.00 -0.00 0.47 0.40 0.00 0.00 0.00 174.94 175.81 2f4f h ILE 52 N 4.93 0.82 -2.04 2.92 2.04 -0.76 -3.48 117.51 121.95 2f4f h ILE 52 Ca -0.37 -2.38 -0.02 0.00 1.00 0.00 0.00 64.86 63.08 2f4f h ILE 52 Cb 1.18 2.59 -0.21 0.00 -0.74 0.00 0.00 36.82 39.64 2f4f h ILE 52 CO 0.90 0.80 0.07 0.00 0.00 0.00 0.00 178.15 179.92 2f4f s ALA 53 N -2.53 -1.78 -0.06 1.87 0.00 -0.80 -5.02 121.76 113.45 2f4f s ALA 53 Ca -0.21 2.14 0.01 0.00 0.00 0.00 0.00 51.96 53.90 2f4f s ALA 53 Cb 0.06 -1.25 0.02 0.00 0.00 0.00 0.00 23.12 21.95 2f4f s ALA 53 CO 0.77 -0.35 -0.08 -1.17 0.00 0.00 0.00 175.76 174.94 2f4f s LEU 54 N 0.85 1.42 -0.16 0.00 2.96 -1.26 -0.65 118.68 121.85 2f4f s LEU 54 Ca -0.04 -0.22 0.00 0.00 -0.22 0.00 0.00 54.13 53.66 2f4f s LEU 54 Cb -0.05 -0.65 0.02 0.00 0.50 0.00 0.00 46.19 46.01 2f4f s LEU 54 CO -0.07 -0.03 -0.15 -1.61 -1.32 0.00 0.00 176.35 173.17 2f4f s GLU 55 N 0.92 2.43 -0.40 1.98 2.02 -0.15 -5.00 118.70 120.51 2f4f s GLU 55 Ca -0.10 -0.62 -0.03 0.00 0.02 0.00 0.00 54.97 54.24 2f4f s GLU 55 Cb -0.15 -2.20 0.10 0.00 0.10 0.00 0.00 34.13 31.98 2f4f s GLU 55 CO 0.01 -0.24 0.18 0.08 0.02 0.00 0.00 175.26 175.31 2f4f s VAL 56 N 1.45 3.26 0.31 2.63 1.01 -1.26 -0.92 120.40 126.88 2f4f s VAL 56 Ca 0.05 -1.98 0.08 0.00 0.00 0.00 0.00 61.98 60.13 2f4f s VAL 56 Cb -0.13 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2f4f s VAL 56 CO -0.11 -0.63 0.17 -0.04 0.00 0.00 0.00 175.10 174.49 2f4f s MET 57 N 1.15 2.55 0.51 2.72 -1.94 0.39 -5.01 119.30 119.67 2f4f s MET 57 Ca 0.07 -1.37 0.21 0.00 -1.71 0.00 0.00 55.69 52.89 2f4f s MET 57 Cb -0.22 -2.32 1.29 0.00 2.01 0.00 0.00 34.83 35.58 2f4f s MET 57 CO -0.04 0.20 2.02 -1.35 -0.01 0.00 0.00 175.02 175.85 2f4f h PRO 58 N 1.52 0.09 -0.02 2.03 0.11 -1.88 -2.71 132.00 131.14 2f4f h PRO 58 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2f4f h PRO 58 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2f4f h PRO 58 CO 0.61 0.06 -0.05 -0.40 -0.21 0.00 0.00 178.00 178.01 2f4f n ASP 59 N -4.43 2.16 -3.60 -2.05 5.75 -1.26 -4.22 116.55 108.89 2f4f n ASP 59 Ca 0.07 -1.58 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 2f4f n ASP 59 Cb 0.45 0.08 -0.01 0.00 -1.03 0.00 0.00 41.12 40.61 2f4f n ASP 59 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 2f4f s HIS 60 N -1.36 -0.05 -0.10 2.11 -3.43 -1.02 -4.46 115.29 106.98 2f4f s HIS 60 Ca 0.17 -0.01 0.02 0.00 -0.80 0.00 0.00 55.06 54.44 2f4f s HIS 60 Cb 0.13 0.52 -0.01 0.00 -1.43 0.00 0.00 32.58 31.79 2f4f s HIS 60 CO 0.22 -0.17 -0.19 0.42 -2.00 0.00 0.00 174.74 173.02 2f4f s ILE 61 N -2.29 2.57 -0.29 -5.38 -1.09 -0.15 -0.47 121.20 114.10 2f4f s ILE 61 Ca 0.13 -0.84 0.02 0.00 -2.23 0.00 0.00 60.65 57.73 2f4f s ILE 61 Cb 0.03 -2.03 0.08 0.00 -1.58 0.00 0.00 42.46 38.96 2f4f s ILE 61 CO -0.04 0.55 -0.01 -2.28 -1.23 0.00 0.00 174.94 171.92 2f4f s HIS 62 N 0.21 2.97 -0.28 3.97 5.65 -0.09 -2.40 115.29 125.32 2f4f s HIS 62 Ca -0.12 -2.30 -0.07 0.00 0.25 0.00 0.00 55.06 52.82 2f4f s HIS 62 Cb -0.16 -2.13 -0.00 0.00 -1.18 0.00 0.00 32.58 29.11 2f4f s HIS 62 CO 0.06 -0.87 0.07 -1.17 -0.65 0.00 0.00 174.74 172.18 2f4f s LEU 63 N 1.19 3.65 -0.29 8.88 2.96 0.83 -0.97 118.68 134.92 2f4f s LEU 63 Ca 0.01 -0.53 -0.04 0.00 -0.22 0.00 0.00 54.13 53.35 2f4f s LEU 63 Cb -0.19 -1.88 0.03 0.00 0.50 0.00 0.00 46.19 44.65 2f4f s LEU 63 CO -0.09 -0.13 0.02 0.12 -1.32 0.00 0.00 176.35 174.95 2f4f s PHE 64 N 1.53 3.18 0.03 5.38 5.36 0.18 0.71 117.98 134.35 2f4f s PHE 64 Ca 0.04 -1.50 0.01 0.00 -0.96 0.00 0.00 56.93 54.52 2f4f s PHE 64 Cb -0.16 -2.16 -0.02 0.00 -0.34 0.00 0.00 43.02 40.34 2f4f s PHE 64 CO 0.02 -0.72 -0.05 0.54 -1.46 0.00 0.00 175.22 173.55 2f4f s VAL 65 N 1.36 0.35 -0.24 3.12 0.11 -0.36 0.02 120.40 124.74 2f4f s VAL 65 Ca -0.01 -0.91 -0.09 0.00 -2.93 0.00 0.00 61.98 58.04 2f4f s VAL 65 Cb -0.18 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 2f4f s VAL 65 CO -0.00 -0.37 0.13 0.21 -3.33 0.00 0.00 175.10 171.74 2f4f s ASN 66 N -1.36 5.78 0.16 3.54 3.84 0.46 -0.85 114.94 126.52 2f4f s ASN 66 Ca -0.11 -0.00 0.05 0.00 0.21 0.00 0.00 52.86 53.01 2f4f s ASN 66 Cb -0.09 -2.05 -0.04 0.00 -0.55 0.00 0.00 41.25 38.52 2f4f s ASN 66 CO -0.00 0.02 -0.12 0.00 -2.79 0.00 0.00 177.10 174.21 2f4f s PRO 68 N -3.51 3.61 0.00 0.00 0.02 -1.26 -4.33 135.00 129.52 2f4f s PRO 68 Ca 0.16 2.18 0.10 0.00 0.02 0.00 0.00 61.00 63.46 2f4f s PRO 68 Cb 0.00 -2.52 0.46 0.00 0.02 0.00 0.00 34.50 32.47 2f4f s PRO 68 CO 0.02 -0.80 1.22 -0.35 -0.33 0.00 0.00 177.00 176.77 2f4f n PRO 69 N -0.41 0.10 0.20 5.54 -0.04 -1.26 -2.81 135.00 136.31 2f4f n PRO 69 Ca 0.07 0.23 0.14 0.00 -0.04 0.00 0.00 63.50 63.90 2f4f n PRO 69 Cb 0.44 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.89 2f4f n PRO 69 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 2f4f h ARG 70 N 0.00 0.00 -5.60 0.54 0.11 -2.02 -3.45 114.38 103.97 2f4f h ARG 70 Ca 0.00 0.00 -0.64 0.00 0.10 0.00 0.00 59.98 59.44 2f4f h ARG 70 Cb 0.11 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.11 2f4f h ARG 70 CO 0.00 0.00 -0.44 0.71 0.10 0.00 0.00 179.97 180.34 2f4f s TYR 71 N -3.38 3.57 0.20 4.08 2.02 -1.12 -5.09 117.35 117.62 2f4f s TYR 71 Ca 0.05 0.55 -0.23 0.00 -0.37 0.00 0.00 57.07 57.07 2f4f s TYR 71 Cb 0.09 -2.05 -0.08 0.00 -0.40 0.00 0.00 41.96 39.51 2f4f s TYR 71 CO 0.53 0.60 0.76 0.00 -1.57 0.00 0.00 175.55 175.88 2f4f s ALA 72 N -0.65 3.42 0.34 3.71 0.00 -1.26 -4.95 121.76 122.37 2f4f s ALA 72 Ca 0.15 0.28 0.09 0.00 0.00 0.00 0.00 51.96 52.48 2f4f s ALA 72 Cb -0.12 -2.91 0.83 0.00 0.00 0.00 0.00 23.12 20.93 2f4f s ALA 72 CO 0.04 0.30 1.81 -1.35 0.00 0.00 0.00 175.76 176.56 2f4f h PRO 73 N 3.85 0.65 -0.23 0.00 0.11 -1.99 -0.34 132.00 134.06 2f4f h PRO 73 Ca -0.47 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 2f4f h PRO 73 Cb 1.20 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2f4f h PRO 73 CO 0.65 0.43 -0.36 0.77 -0.21 0.00 0.00 178.00 179.29 2f4f h SER 74 N 0.67 0.52 -0.32 -2.05 0.02 -1.99 -0.46 113.55 109.93 2f4f h SER 74 Ca 0.53 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 61.23 2f4f h SER 74 Cb 0.94 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 2f4f h SER 74 CO -0.29 0.83 0.03 0.22 -1.14 0.00 0.00 176.83 176.48 2f4f h TYR 75 N 0.42 0.59 -0.03 3.45 3.20 -1.49 -1.35 116.97 121.76 2f4f h TYR 75 Ca 0.04 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 2f4f h TYR 75 Cb 0.82 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 2f4f h TYR 75 CO 0.03 0.64 0.01 -0.07 -1.64 0.00 0.00 178.16 177.14 2f4f h LEU 76 N 0.37 0.03 -0.25 2.82 3.38 -1.06 0.75 115.31 121.36 2f4f h LEU 76 Ca 0.10 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.01 2f4f h LEU 76 Cb 0.39 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2f4f h LEU 76 CO 0.01 0.11 0.07 0.00 0.09 0.00 0.00 178.44 178.72 2f4f h ALA 77 N 0.92 0.27 0.00 1.53 0.00 -1.04 0.40 119.26 121.34 2f4f h ALA 77 Ca 0.01 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2f4f h ALA 77 Cb 0.08 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2f4f h ALA 77 CO -0.00 -0.34 -0.34 -0.91 0.00 0.00 0.00 179.25 177.65 2f4f h ASN 78 N 0.18 0.00 0.05 0.00 2.35 -1.16 -1.29 115.58 115.71 2f4f h ASN 78 Ca 0.11 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.75 2f4f h ASN 78 Cb 0.09 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.47 2f4f h ASN 78 CO -0.12 0.34 -0.45 0.22 -1.65 0.00 0.00 177.43 175.77 2f4f h TYR 79 N 0.00 0.36 -0.44 1.19 3.20 -0.45 0.10 116.97 120.93 2f4f h TYR 79 Ca -0.00 -0.23 0.01 0.00 3.14 0.00 0.00 58.73 61.65 2f4f h TYR 79 Cb 0.86 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 2f4f h TYR 79 CO 0.00 1.11 0.28 0.74 -1.64 0.00 0.00 178.16 178.65 2f4f h PHE 80 N -0.50 0.52 -0.06 -3.82 0.04 -0.91 -0.08 116.94 112.13 2f4f h PHE 80 Ca -0.07 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.68 2f4f h PHE 80 Cb 1.28 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 39.25 2f4f h PHE 80 CO 0.20 0.32 -0.11 0.87 -0.60 0.00 0.00 178.31 178.99 2f4f h LYS 81 N 0.56 0.19 0.26 1.51 1.57 -1.31 -2.50 116.57 116.85 2f4f h LYS 81 Ca 0.17 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2f4f h LYS 81 Cb -0.03 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2f4f h LYS 81 CO -0.05 0.68 -0.12 0.78 -0.57 0.00 0.00 179.45 180.17 2f4f h GLY 82 N -0.29 -0.36 1.48 3.86 0.00 -0.71 -1.63 103.07 105.41 2f4f h GLY 82 Ca 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 47.33 47.33 2f4f h GLY 82 CO 0.02 -0.13 -0.41 1.70 0.00 0.00 0.00 176.54 177.73 2f4f h LYS 83 N -0.35 0.58 -0.56 4.80 3.64 -1.13 -2.64 116.57 120.90 2f4f h LYS 83 Ca -0.04 -0.29 -0.10 0.00 -1.27 0.00 0.00 60.65 58.95 2f4f h LYS 83 Cb 0.27 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2f4f h LYS 83 CO 0.06 0.88 -0.03 0.66 -2.27 0.00 0.00 179.45 178.75 2f4f h SER 84 N 0.47 0.98 -0.22 4.20 4.64 -1.42 -2.39 113.55 119.81 2f4f h SER 84 Ca 0.04 -0.28 0.02 0.00 -0.47 0.00 0.00 61.79 61.09 2f4f h SER 84 Cb 0.91 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 2f4f h SER 84 CO 0.08 1.05 0.10 0.00 -0.87 0.00 0.00 176.83 177.19 2f4f h ALA 85 N 1.04 0.26 -0.09 5.18 0.00 -1.18 0.18 119.26 124.66 2f4f h ALA 85 Ca 0.16 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2f4f h ALA 85 Cb 0.57 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2f4f h ALA 85 CO 0.03 -0.31 -0.07 -0.09 0.00 0.00 0.00 179.25 178.81 2f4f h ARG 86 N 0.22 -0.08 -0.58 0.00 2.43 -1.33 -0.27 114.38 114.76 2f4f h ARG 86 Ca 0.09 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 2f4f h ARG 86 Cb 0.03 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 2f4f h ARG 86 CO -0.07 -0.05 0.21 -0.07 -1.51 0.00 0.00 179.97 178.48 2f4f h LEU 87 N -0.08 0.82 -0.30 3.80 3.38 -1.18 -2.29 115.31 119.45 2f4f h LEU 87 Ca 0.06 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 2f4f h LEU 87 Cb 0.17 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2f4f h LEU 87 CO -0.14 0.79 0.01 0.40 0.09 0.00 0.00 178.44 179.59 2f4f h ILE 88 N 0.81 1.25 0.00 1.22 2.04 -0.41 -2.08 117.51 120.35 2f4f h ILE 88 Ca 0.19 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 65.10 2f4f h ILE 88 Cb 0.24 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 2f4f h ILE 88 CO -0.01 0.29 -0.21 -0.07 0.00 0.00 0.00 178.15 178.15 2f4f h LEU 89 N 0.33 0.00 -0.26 1.44 4.07 -1.02 0.75 115.31 120.62 2f4f h LEU 89 Ca 0.09 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.88 2f4f h LEU 89 Cb 0.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.15 2f4f h LEU 89 CO 0.01 0.21 -0.49 0.50 -1.08 0.00 0.00 178.44 177.59 2f4f h LYS 90 N 0.00 0.79 0.01 1.13 3.64 -1.15 -3.12 116.57 117.87 2f4f h LYS 90 Ca -0.00 -0.50 -0.21 0.00 -1.27 0.00 0.00 60.65 58.66 2f4f h LYS 90 Cb 0.39 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 2f4f h LYS 90 CO 0.03 1.13 -1.01 -0.22 -2.27 0.00 0.00 179.45 177.11 2f4f h LYS 91 N 0.54 0.02 -3.02 1.90 3.64 -0.94 -3.38 116.57 115.33 2f4f h LYS 91 Ca 0.01 -0.04 -0.62 0.00 -1.27 0.00 0.00 60.65 58.73 2f4f h LYS 91 Cb 1.10 0.02 -0.41 0.00 -0.41 0.00 0.00 32.23 32.52 2f4f h LYS 91 CO 0.11 1.01 -0.64 -0.06 -2.27 0.00 0.00 179.45 177.60 2f4f s PHE 92 N -2.74 3.13 0.65 1.91 0.40 0.22 -4.96 117.98 116.58 2f4f s PHE 92 Ca 0.00 -3.15 0.31 0.00 -0.60 0.00 0.00 56.93 53.50 2f4f s PHE 92 Cb 0.10 -2.44 1.68 0.00 0.51 0.00 0.00 43.02 42.86 2f4f s PHE 92 CO 0.82 -0.61 1.97 -1.00 0.70 0.00 0.00 175.22 177.10 2f4f h PRO 93 N 5.61 0.00 0.00 0.24 0.13 -1.74 -1.08 132.00 135.16 2f4f h PRO 93 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2f4f h PRO 93 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2f4f h PRO 93 CO 0.66 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 2f4f n GLN 94 N -3.09 0.10 -0.19 0.86 0.00 -1.26 -1.57 117.38 112.23 2f4f n GLN 94 Ca -0.00 0.40 0.11 0.00 0.00 0.00 0.00 57.00 57.51 2f4f n GLN 94 Cb 0.39 -1.72 0.26 0.00 0.00 0.00 0.00 30.24 29.18 2f4f n GLN 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2f4f n LEU 95 N -1.91 2.99 0.00 2.61 4.77 -0.41 -4.47 117.00 120.59 2f4f n LEU 95 Ca 0.02 -1.33 0.05 0.00 -0.03 0.00 0.00 56.01 54.72 2f4f n LEU 95 Cb 0.16 -0.25 0.30 0.00 -2.33 0.00 0.00 43.42 41.30 2f4f n LEU 95 CO 0.14 0.67 0.52 -3.20 -1.33 0.00 0.00 177.39 174.19 2f4f n ASN 96 N 1.17 0.00 -4.48 -1.43 2.85 -0.61 -4.62 115.26 108.15 2f4f n ASN 96 Ca 0.19 -0.42 -0.43 0.00 -0.11 0.00 0.00 54.58 53.81 2f4f n ASN 96 Cb 0.52 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.49 2f4f n ASN 96 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2f4f s LYS 97 N -2.00 3.20 1.13 1.20 1.02 -1.26 -4.92 119.74 118.10 2f4f s LYS 97 Ca 0.15 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.50 2f4f s LYS 97 Cb 0.07 -4.08 0.00 0.00 -0.52 0.00 0.00 37.83 33.30 2f4f s LYS 97 CO 0.12 -1.33 0.00 0.41 -0.92 0.00 0.00 175.35 173.63 2f4f n GLY 98 N 5.15 -1.78 3.76 -3.33 0.00 -1.26 -4.84 105.19 102.89 2f4f n GLY 98 Ca -0.03 -1.30 -0.39 0.00 0.00 0.00 0.00 46.02 44.29 2f4f n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f4f s LYS 99 N -0.25 4.79 0.09 1.61 -0.14 -1.26 -4.98 119.74 119.60 2f4f s LYS 99 Ca 0.00 1.47 -0.15 0.00 -1.36 0.00 0.00 55.97 55.93 2f4f s LYS 99 Cb 0.00 -3.17 -0.10 0.00 -1.68 0.00 0.00 37.83 32.87 2f4f s LYS 99 CO 0.00 0.45 1.39 1.25 -0.76 0.00 0.00 175.35 177.68 2f4f h LEU 100 N 3.93 0.75 -9.91 3.17 5.85 -1.88 -3.41 115.31 113.81 2f4f h LEU 100 Ca -0.45 -0.51 -0.53 0.00 0.84 0.00 0.00 57.88 57.23 2f4f h LEU 100 Cb 1.20 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 2f4f h LEU 100 CO 0.67 1.11 -0.50 0.26 -0.34 0.00 0.00 178.44 179.65 2f4f s TRP 101 N -4.22 2.75 0.82 1.25 0.23 -1.26 -0.95 118.94 117.56 2f4f s TRP 101 Ca -0.12 -0.39 -0.07 0.00 -2.03 0.00 0.00 56.10 53.49 2f4f s TRP 101 Cb 0.08 -1.76 0.16 0.00 0.03 0.00 0.00 33.47 31.98 2f4f s TRP 101 CO 0.84 0.24 1.13 0.95 0.96 0.00 0.00 176.95 181.07 2f4f s THR 102 N -2.41 2.06 -2.32 2.01 -4.23 -1.20 -4.62 115.64 104.93 2f4f s THR 102 Ca 0.40 -0.37 0.28 0.00 -1.18 0.00 0.00 61.69 60.83 2f4f s THR 102 Cb -0.03 -2.70 0.57 0.00 1.34 0.00 0.00 72.50 71.69 2f4f s THR 102 CO 0.24 0.00 1.81 -1.14 -0.54 0.00 0.00 174.62 174.99 2f4f n ARG 103 N -3.22 1.44 -3.65 3.99 3.00 -1.26 -4.91 116.66 112.06 2f4f n ARG 103 Ca 0.15 -0.74 -0.24 0.00 -0.00 0.00 0.00 57.85 57.02 2f4f n ARG 103 Cb 0.60 -1.48 -0.02 0.00 0.00 0.00 0.00 32.46 31.56 2f4f n ARG 103 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2f4f s SER 104 N -2.07 6.33 0.09 6.15 0.01 -1.26 -5.11 113.70 117.84 2f4f s SER 104 Ca 0.38 0.32 -0.25 0.00 1.31 0.00 0.00 55.95 57.70 2f4f s SER 104 Cb 0.21 -1.97 0.08 0.00 0.21 0.00 0.00 66.02 64.54 2f4f s SER 104 CO 0.36 -0.16 0.68 -0.72 0.41 0.00 0.00 173.24 173.82 2f4f s TYR 105 N -2.09 -0.51 -0.04 2.43 -0.85 -1.26 -4.68 117.35 110.35 2f4f s TYR 105 Ca 0.38 0.43 0.06 0.00 -0.52 0.00 0.00 57.07 57.41 2f4f s TYR 105 Cb -0.10 0.53 -0.02 0.00 0.38 0.00 0.00 41.96 42.75 2f4f s TYR 105 CO 0.32 -0.74 -0.20 0.12 -1.52 0.00 0.00 175.55 173.53 2f4f s PHE 106 N -3.18 2.53 -0.06 -3.49 2.19 0.31 -4.98 117.98 111.31 2f4f s PHE 106 Ca 0.00 -0.29 -0.04 0.00 0.33 0.00 0.00 56.93 56.93 2f4f s PHE 106 Cb -0.01 -1.57 0.03 0.00 -1.31 0.00 0.00 43.02 40.16 2f4f s PHE 106 CO -0.09 0.08 0.15 0.54 1.83 0.00 0.00 175.22 177.73 2f4f s VAL 107 N -0.67 -0.02 -0.05 3.12 0.11 -1.26 -1.29 120.40 120.34 2f4f s VAL 107 Ca 0.11 0.08 -0.02 0.00 -2.93 0.00 0.00 61.98 59.22 2f4f s VAL 107 Cb -0.10 -0.23 0.03 0.00 -1.53 0.00 0.00 36.38 34.55 2f4f s VAL 107 CO -0.00 0.03 0.11 0.00 -3.33 0.00 0.00 175.10 171.91 2f4f s ALA 108 N 0.60 -0.17 0.62 1.54 0.00 -0.72 -4.96 121.76 118.68 2f4f s ALA 108 Ca -0.04 0.53 -0.16 0.00 0.00 0.00 0.00 51.96 52.28 2f4f s ALA 108 Cb -0.06 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 2f4f s ALA 108 CO -0.03 -0.13 1.10 0.95 0.00 0.00 0.00 175.76 177.65 2f4f s THR 109 N 1.01 3.34 0.01 0.00 -4.23 -1.26 -0.84 115.64 113.67 2f4f s THR 109 Ca -0.08 0.66 0.01 0.00 -1.18 0.00 0.00 61.69 61.11 2f4f s THR 109 Cb -0.11 -3.19 -0.01 0.00 1.34 0.00 0.00 72.50 70.53 2f4f s THR 109 CO -0.04 -0.35 -0.05 0.00 -0.54 0.00 0.00 174.62 173.64 2f4f s ALA 110 N -2.25 0.35 0.00 3.99 0.00 -0.29 -4.86 121.76 118.70 2f4f s ALA 110 Ca 0.67 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.23 2f4f s ALA 110 Cb -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.91 2f4f s ALA 110 CO 0.38 0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.56 2f4f n GLY 111 N 2.33 4.12 2.24 0.00 0.00 -1.26 -4.09 105.19 108.52 2f4f n GLY 111 Ca -0.17 -0.96 -0.19 0.00 0.00 0.00 0.00 46.02 44.70 2f4f n GLY 111 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2f4f n ASN 112 N 0.00 0.39 -4.77 1.61 4.13 -1.26 -5.13 115.26 110.23 2f4f n ASN 112 Ca 0.00 -2.99 -0.41 0.00 1.68 0.00 0.00 54.58 52.86 2f4f n ASN 112 Cb 0.00 -0.41 -0.00 0.00 -1.54 0.00 0.00 39.78 37.83 2f4f n ASN 112 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2f4f s VAL 113 N -1.90 2.12 0.42 2.41 0.11 -1.26 -4.99 120.40 117.31 2f4f s VAL 113 Ca 0.38 0.12 -0.11 0.00 -2.93 0.00 0.00 61.98 59.43 2f4f s VAL 113 Cb 0.30 -3.07 -0.06 0.00 -1.53 0.00 0.00 36.38 32.01 2f4f s VAL 113 CO -0.09 0.03 0.79 -0.94 -3.33 0.00 0.00 175.10 171.56 2f4f s SER 114 N -0.10 6.52 0.44 3.54 1.04 -1.26 -4.97 113.70 118.91 2f4f s SER 114 Ca 0.54 1.17 0.14 0.00 0.48 0.00 0.00 55.95 58.28 2f4f s SER 114 Cb -0.46 -2.34 0.98 0.00 0.10 0.00 0.00 66.02 64.30 2f4f s SER 114 CO 0.60 -0.42 1.98 0.77 0.98 0.00 0.00 173.24 177.15 2f4f h SER 115 N 1.19 0.00 -0.73 7.02 4.64 -2.00 -2.55 113.55 121.13 2f4f h SER 115 Ca -0.47 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.80 2f4f h SER 115 Cb 1.19 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 2f4f h SER 115 CO 0.63 0.19 0.28 -0.33 -0.87 0.00 0.00 176.83 176.74 2f4f h GLU 116 N 0.00 1.12 -0.33 4.77 3.07 -1.98 0.21 114.58 121.44 2f4f h GLU 116 Ca -0.00 -0.21 -0.04 0.00 -0.50 0.00 0.00 59.36 58.62 2f4f h GLU 116 Cb 0.34 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 2f4f h GLU 116 CO 0.02 0.92 0.06 0.28 -1.40 0.00 0.00 179.01 178.89 2f4f h VAL 117 N 1.09 1.23 -0.42 3.13 2.07 -1.86 -0.63 116.25 120.86 2f4f h VAL 117 Ca 0.25 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 2f4f h VAL 117 Cb 0.23 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2f4f h VAL 117 CO -0.02 0.27 0.08 0.40 0.02 0.00 0.00 177.57 178.32 2f4f h ILE 118 N 0.38 1.24 -0.86 4.57 2.04 -1.32 -1.70 117.51 121.85 2f4f h ILE 118 Ca 0.10 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.11 2f4f h ILE 118 Cb 0.34 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 2f4f h ILE 118 CO 0.01 0.30 0.56 0.50 0.00 0.00 0.00 178.15 179.51 2f4f h LYS 119 N 0.54 1.14 -0.70 2.37 3.64 -0.48 -1.60 116.57 121.49 2f4f h LYS 119 Ca 0.13 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 2f4f h LYS 119 Cb 0.36 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 2f4f h LYS 119 CO 0.01 0.77 0.18 -0.22 -2.27 0.00 0.00 179.45 177.92 2f4f h LYS 120 N 1.17 1.11 -0.51 1.90 3.64 -0.93 -1.41 116.57 121.55 2f4f h LYS 120 Ca 0.31 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2f4f h LYS 120 Cb -0.11 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.54 2f4f h LYS 120 CO -0.07 0.98 0.28 -0.92 -2.27 0.00 0.00 179.45 177.46 2f4f h TYR 121 N 1.05 0.69 -0.31 1.91 3.20 -0.74 0.31 116.97 123.08 2f4f h TYR 121 Ca 0.22 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 2f4f h TYR 121 Cb 0.36 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 2f4f h TYR 121 CO 0.03 0.51 0.14 0.82 -1.64 0.00 0.00 178.16 178.02 2f4f h ILE 122 N 0.67 1.17 -0.32 1.81 2.04 -1.05 -1.67 117.51 120.16 2f4f h ILE 122 Ca 0.18 -0.49 -0.10 0.00 1.00 0.00 0.00 64.86 65.45 2f4f h ILE 122 Cb 0.04 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2f4f h ILE 122 CO -0.03 0.17 -0.22 -0.33 0.00 0.00 0.00 178.15 177.75 2f4f h GLU 123 N 0.36 0.61 -0.47 2.37 5.08 -1.09 -2.53 114.58 118.92 2f4f h GLU 123 Ca 0.11 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 2f4f h GLU 123 Cb 0.15 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2f4f h GLU 123 CO -0.01 0.79 -0.12 0.93 -1.00 0.00 0.00 179.01 179.59 2f4f h GLU 124 N 0.54 0.87 -0.56 2.33 4.39 -0.78 -0.84 114.58 120.53 2f4f h GLU 124 Ca 0.08 -0.31 -0.11 0.00 0.34 0.00 0.00 59.36 59.36 2f4f h GLU 124 Cb 0.67 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 2f4f h GLU 124 CO 0.05 0.94 -0.08 1.96 -1.16 0.00 0.00 179.01 180.72 2f4f h GLN 125 N 0.78 1.03 -0.09 2.33 1.08 -1.11 -1.12 115.11 118.01 2f4f h GLN 125 Ca 0.12 -0.37 -0.12 0.00 -1.45 0.00 0.00 58.65 56.83 2f4f h GLN 125 Cb 0.64 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 2f4f h GLN 125 CO 0.04 1.06 -0.50 -1.49 -0.95 0.00 0.00 178.83 176.99 2f4f h TRP 126 N 0.92 0.28 -0.44 2.96 4.06 -1.31 0.19 115.95 122.62 2f4f h TRP 126 Ca 0.15 -0.09 -0.11 0.00 2.06 0.00 0.00 58.89 60.90 2f4f h TRP 126 Cb 0.65 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.74 2f4f h TRP 126 CO 0.04 0.69 -0.17 -0.09 -3.56 0.00 0.00 178.44 175.35 2f4f h ARG 127 N 0.19 0.84 0.07 0.49 2.43 -0.87 0.35 114.38 117.88 2f4f h ARG 127 Ca 0.01 -0.32 -0.21 0.00 -0.81 0.00 0.00 59.98 58.65 2f4f h ARG 127 Cb 0.95 -0.05 0.02 0.00 -0.42 0.00 0.00 29.97 30.47 2f4f h ARG 127 CO 0.08 0.95 -0.86 0.87 -1.51 0.00 0.00 179.97 179.49 2f4f h LYS 128 N 0.74 0.45 -0.14 0.20 1.57 -0.97 -3.37 116.57 115.07 2f4f h LYS 128 Ca 0.11 -0.59 -0.11 0.00 -1.87 0.00 0.00 60.65 58.20 2f4f h LYS 128 Cb 0.69 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2f4f h LYS 128 CO 0.05 1.23 -0.34 0.93 -0.57 0.00 0.00 179.45 180.75 2f4f h GLU 129 N -0.05 0.47 0.00 3.15 4.39 -0.62 -3.51 114.58 118.42 2f4f h GLU 129 Ca -0.13 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.25 2f4f h GLU 129 Cb 1.59 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.29 2f4f h GLU 129 CO 0.17 0.94 0.00 0.41 -1.16 0.00 0.00 179.01 179.36 2f4f n GLY 130 N 0.50 0.45 0.00 -3.84 0.00 0.11 -5.07 105.19 97.34 2f4f n GLY 130 Ca -0.07 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.14 2f4f n GLY 130 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48