#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1h s LEU 6 N 0.00 3.36 0.55 -2.67 2.34 -1.26 -4.99 118.68 116.01 3f1h s LEU 6 Ca 0.00 -0.61 0.37 0.00 0.06 0.00 0.00 54.13 53.95 3f1h s LEU 6 Cb 0.00 -2.16 1.82 0.00 -0.56 0.00 0.00 46.19 45.30 3f1h s LEU 6 CO 0.00 -1.09 2.11 -0.09 -1.06 0.00 0.00 176.35 176.22 3f1h h ARG 7 N 0.36 0.00 -6.62 1.48 9.65 -2.09 -3.39 114.38 113.78 3f1h h ARG 7 Ca -0.35 0.00 -0.53 0.00 -1.10 0.00 0.00 59.98 58.00 3f1h h ARG 7 Cb 1.28 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.89 3f1h h ARG 7 CO 0.43 0.00 0.62 -2.14 2.80 0.00 0.00 179.97 181.68 3f1h s PRO 8 N -3.85 4.41 -1.03 0.20 0.02 -1.26 -4.08 135.00 129.41 3f1h s PRO 8 Ca -0.02 1.96 -0.13 0.00 0.02 0.00 0.00 61.00 62.83 3f1h s PRO 8 Cb 0.11 -3.24 -0.02 0.00 0.02 0.00 0.00 34.50 31.37 3f1h s PRO 8 CO 0.42 -0.24 0.79 -1.71 -0.33 0.00 0.00 177.00 175.92 3f1h n ASN 9 N 3.04 -5.90 0.03 2.53 5.15 -1.26 -4.86 115.26 113.98 3f1h n ASN 9 Ca 0.07 -0.82 0.12 0.00 -0.60 0.00 0.00 54.58 53.36 3f1h n ASN 9 Cb 0.44 -3.82 0.26 0.00 -0.53 0.00 0.00 39.78 36.12 3f1h n ASN 9 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3f1h n PRO 10 N -3.50 0.13 0.00 1.20 -0.02 -1.26 -4.88 135.00 126.68 3f1h n PRO 10 Ca -0.10 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 3f1h n PRO 10 Cb 0.59 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 3f1h n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f1h n GLY 11 N 1.42 0.00 2.89 -1.23 0.00 -1.26 -4.57 105.19 102.45 3f1h n GLY 11 Ca 0.05 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.56 3f1h n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1h n ALA 12 N 0.00 -2.25 -1.59 4.61 0.00 -1.26 -4.58 120.51 115.44 3f1h n ALA 12 Ca 0.00 0.45 -0.22 0.00 0.00 0.00 0.00 53.44 53.67 3f1h n ALA 12 Cb 0.00 -1.47 -0.10 0.00 0.00 0.00 0.00 19.45 17.88 3f1h n ALA 12 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3f1h n ASN 13 N 2.02 1.80 -4.38 0.00 2.04 -1.26 -4.30 115.26 111.18 3f1h n ASN 13 Ca 0.20 -2.55 -0.37 0.00 -0.44 0.00 0.00 54.58 51.42 3f1h n ASN 13 Cb 0.02 -1.60 -0.07 0.00 -2.53 0.00 0.00 39.78 35.60 3f1h n ASN 13 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 3f1h n LYS 14 N 8.12 -1.39 0.00 -3.83 5.02 -1.26 -4.80 118.16 120.02 3f1h n LYS 14 Ca 0.43 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 3f1h n LYS 14 Cb 0.46 -4.40 0.00 0.00 -0.02 0.00 0.00 35.03 31.07 3f1h n LYS 14 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3f1h n ARG 15 N -4.31 0.00 0.00 1.97 3.00 -1.26 -5.04 116.66 111.02 3f1h n ARG 15 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 3f1h n ARG 15 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.02 3f1h n ARG 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3f1h n ARG 16 N 0.00 0.00 -0.04 -0.14 0.00 -1.26 -5.09 116.66 110.13 3f1h n ARG 16 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.84 3f1h n ARG 16 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.45 3f1h n ARG 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3f1h n LYS 17 N 0.00 0.00 0.00 -0.14 5.02 -1.26 -4.60 118.16 117.18 3f1h n LYS 17 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3f1h n LYS 17 Cb 0.14 -0.02 0.00 0.00 -0.02 0.00 0.00 35.03 35.12 3f1h n LYS 17 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3f1h n ARG 18 N 0.14 0.00 -1.53 1.97 5.12 -1.26 -4.68 116.66 116.41 3f1h n ARG 18 Ca 0.02 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.80 3f1h n ARG 18 Cb 0.00 -1.34 -0.10 0.00 -1.16 0.00 0.00 32.46 29.87 3f1h n ARG 18 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 3f1h n VAL 19 N -0.72 0.00 -0.87 1.55 0.24 -1.26 -4.90 118.33 112.37 3f1h n VAL 19 Ca 0.00 -0.28 -0.30 0.00 -2.04 0.00 0.00 64.34 61.72 3f1h n VAL 19 Cb 0.00 -1.77 0.16 0.00 -1.47 0.00 0.00 33.84 30.77 3f1h n VAL 19 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3f1h s GLY 20 N 8.62 1.65 -0.08 7.63 0.00 -1.26 -4.99 107.32 118.88 3f1h s GLY 20 Ca 0.85 0.30 -0.20 0.00 0.00 0.00 0.00 44.72 45.67 3f1h s GLY 20 CO 0.15 0.76 0.55 1.09 0.00 0.00 0.00 173.10 175.65 3f1h s ARG 21 N -4.72 4.35 -0.37 2.90 1.70 -1.26 -5.05 118.95 116.50 3f1h s ARG 21 Ca 0.65 0.61 -0.09 0.00 -0.47 0.00 0.00 55.73 56.42 3f1h s ARG 21 Cb -0.21 -3.41 0.04 0.00 -0.57 0.00 0.00 34.95 30.79 3f1h s ARG 21 CO 0.58 0.19 0.18 0.20 -1.08 0.00 0.00 175.30 175.38 3f1h s GLY 22 N 0.47 1.91 -0.14 3.88 0.00 -1.26 -4.97 107.32 107.20 3f1h s GLY 22 Ca 0.30 -1.78 0.08 0.00 0.00 0.00 0.00 44.72 43.32 3f1h s GLY 22 CO 0.14 0.84 1.25 -1.05 0.00 0.00 0.00 173.10 174.27 3f1h n PRO 23 N 4.93 3.34 -3.30 2.90 -0.02 -1.26 -4.52 135.00 137.07 3f1h n PRO 23 Ca -0.12 -1.89 -0.47 0.00 -2.02 0.00 0.00 63.50 59.01 3f1h n PRO 23 Cb 0.45 -1.96 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 3f1h n PRO 23 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3f1h s GLY 24 N -0.46 2.54 0.00 -1.23 0.00 -1.26 -4.42 107.32 102.49 3f1h s GLY 24 Ca 0.33 -3.18 0.00 0.00 0.00 0.00 0.00 44.72 41.87 3f1h s GLY 24 CO 0.09 1.29 0.00 -1.14 0.00 0.00 0.00 173.10 173.35 3f1h n SER 25 N 4.29 0.00 0.00 1.64 3.41 -1.26 -5.08 113.62 116.62 3f1h n SER 25 Ca 0.10 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 3f1h n SER 25 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 3f1h n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f1h n GLY 26 N 0.00 0.29 2.87 5.00 0.00 -1.26 -4.37 105.19 107.72 3f1h n GLY 26 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3f1h n GLY 26 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3f1h s HIS 27 N -0.81 -0.84 0.00 1.61 5.65 -1.26 -4.90 115.29 114.74 3f1h s HIS 27 Ca 0.00 0.25 0.00 0.00 0.25 0.00 0.00 55.06 55.56 3f1h s HIS 27 Cb 0.00 -0.22 0.00 0.00 -1.18 0.00 0.00 32.58 31.18 3f1h s HIS 27 CO 0.00 -0.93 0.00 0.41 -0.65 0.00 0.00 174.74 173.57 3f1h n GLY 28 N 5.34 -0.62 3.31 1.59 0.00 -1.26 -5.00 105.19 108.54 3f1h n GLY 28 Ca -0.01 0.36 -0.46 0.00 0.00 0.00 0.00 46.02 45.92 3f1h n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f1h s LYS 29 N 0.00 3.35 0.41 1.61 3.01 -1.26 -5.05 119.74 121.81 3f1h s LYS 29 Ca 0.00 -2.27 0.08 0.00 -1.01 0.00 0.00 55.97 52.77 3f1h s LYS 29 Cb 0.00 -4.34 -0.01 0.00 -1.01 0.00 0.00 37.83 32.48 3f1h s LYS 29 CO 0.00 -1.29 0.45 0.99 0.51 0.00 0.00 175.35 176.01 3f1h s THR 30 N 0.52 2.87 0.00 2.17 2.01 -1.26 -4.21 115.64 117.73 3f1h s THR 30 Ca 0.14 -1.20 0.00 0.00 0.31 0.00 0.00 61.69 60.94 3f1h s THR 30 Cb -0.16 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.33 3f1h s THR 30 CO -0.06 -0.01 0.00 0.00 -0.69 0.00 0.00 174.62 173.86 3f1h n ALA 31 N -1.66 0.00 -0.23 7.40 0.00 -1.26 0.41 120.51 125.17 3f1h n ALA 31 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.56 3f1h n ALA 31 Cb 0.60 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.38 3f1h n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f1h h THR 32 N 0.00 0.99 -2.00 0.00 1.03 -1.93 -3.49 112.91 107.51 3f1h h THR 32 Ca 0.00 -0.28 0.00 0.00 -0.01 0.00 0.00 66.41 66.12 3f1h h THR 32 Cb 0.00 0.11 0.00 0.00 -1.07 0.00 0.00 68.15 67.19 3f1h h THR 32 CO 0.00 0.15 -0.51 -1.14 -0.01 0.00 0.00 175.52 174.01 3f1h n ARG 33 N -4.50 -2.33 0.00 0.00 0.63 0.17 -4.70 116.66 105.93 3f1h n ARG 33 Ca 0.13 1.77 0.00 0.00 -0.92 0.00 0.00 57.85 58.83 3f1h n ARG 33 Cb 0.27 -2.11 0.00 0.00 0.45 0.00 0.00 32.46 31.08 3f1h n ARG 33 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3f1h n GLY 34 N -1.57 0.26 3.60 5.14 0.00 -1.26 -3.53 105.19 107.82 3f1h n GLY 34 Ca 0.00 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 3f1h n GLY 34 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3f1h s HIS 35 N 0.00 2.85 0.00 1.61 -3.43 -1.26 -4.83 115.29 110.24 3f1h s HIS 35 Ca 0.00 0.70 0.00 0.00 -0.80 0.00 0.00 55.06 54.96 3f1h s HIS 35 Cb 0.00 -4.32 0.00 0.00 -1.43 0.00 0.00 32.58 26.83 3f1h s HIS 35 CO 0.00 -1.21 0.00 1.63 -2.00 0.00 0.00 174.74 173.16 3f1h n LYS 36 N 7.68 0.00 -0.99 -0.38 5.02 -1.23 -5.06 118.16 123.20 3f1h n LYS 36 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 3f1h n LYS 36 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 3f1h n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f1h n GLY 37 N 0.00 0.44 0.00 0.72 0.00 -1.26 -4.84 105.19 100.24 3f1h n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3f1h n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1h n GLN 38 N -2.19 0.00 0.00 1.61 10.64 -1.26 -5.13 117.38 121.05 3f1h n GLN 38 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3f1h n GLN 38 Cb 0.09 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.47 3f1h n GLN 38 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 3f1h n LYS 39 N -0.52 0.00 -2.99 2.61 4.76 -1.26 -4.95 118.16 115.81 3f1h n LYS 39 Ca 0.00 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.26 3f1h n LYS 39 Cb 0.00 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.18 3f1h n LYS 39 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3f1h n SER 40 N 0.00 -3.51 -3.69 4.39 2.88 -1.26 -4.96 113.62 107.47 3f1h n SER 40 Ca 0.00 -0.12 -0.28 0.00 -1.33 0.00 0.00 58.87 57.14 3f1h n SER 40 Cb 0.00 -2.95 -0.12 0.00 -0.75 0.00 0.00 64.21 60.39 3f1h n SER 40 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3f1h s ARG 41 N -5.60 1.67 0.00 -1.46 1.81 -1.26 -4.60 118.95 109.50 3f1h s ARG 41 Ca 0.23 -2.60 0.00 0.00 -1.72 0.00 0.00 55.73 51.64 3f1h s ARG 41 Cb -0.12 -2.52 0.00 0.00 -0.45 0.00 0.00 34.95 31.86 3f1h s ARG 41 CO 0.29 -1.28 0.00 0.43 -0.68 0.00 0.00 175.30 174.06 3f1h n SER 42 N 2.67 0.00 -0.03 0.23 7.64 -1.26 -5.02 113.62 117.85 3f1h n SER 42 Ca 0.20 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 60.05 3f1h n SER 42 Cb 0.39 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.58 3f1h n SER 42 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3f1h n GLY 43 N 0.19 -0.58 3.67 0.23 0.00 -1.26 -5.11 105.19 102.33 3f1h n GLY 43 Ca 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 3f1h n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3f1h s GLY 44 N -3.58 -0.31 0.30 -0.02 0.00 -1.26 -5.18 107.32 97.27 3f1h s GLY 44 Ca -0.10 0.44 0.01 0.00 0.00 0.00 0.00 44.72 45.08 3f1h s GLY 44 CO 0.14 0.11 0.48 -2.27 0.00 0.00 0.00 173.10 171.56 3f1h s LEU 45 N -2.80 4.13 0.00 0.66 0.20 -1.26 -4.94 118.68 114.66 3f1h s LEU 45 Ca 0.10 0.35 0.00 0.00 0.69 0.00 0.00 54.13 55.27 3f1h s LEU 45 Cb -0.01 -3.18 0.00 0.00 -0.43 0.00 0.00 46.19 42.57 3f1h s LEU 45 CO -0.01 -0.20 0.00 1.17 -0.29 0.00 0.00 176.35 177.02 3f1h n LYS 46 N -1.50 0.00 0.00 1.98 3.00 -1.26 -4.78 118.16 115.60 3f1h n LYS 46 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 3f1h n LYS 46 Cb 0.56 -0.42 0.00 0.00 0.00 0.00 0.00 35.03 35.17 3f1h n LYS 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3f1h n ASP 47 N 0.00 0.00 -0.08 3.14 4.64 -1.26 -5.04 116.55 117.95 3f1h n ASP 47 Ca 0.00 0.00 -0.20 0.00 -1.38 0.00 0.00 54.79 53.21 3f1h n ASP 47 Cb 0.00 0.00 -0.12 0.00 -1.04 0.00 0.00 41.12 39.96 3f1h n ASP 47 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3f1h h PRO 48 N 0.00 0.04 0.00 -0.67 0.11 -1.86 -3.50 132.00 126.12 3f1h h PRO 48 Ca 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3f1h h PRO 48 Cb 0.00 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.14 3f1h h PRO 48 CO 0.00 1.03 0.00 0.54 -0.21 0.00 0.00 178.00 179.36 3f1h n ARG 49 N -4.38 0.00 0.00 1.05 1.74 -1.26 -1.73 116.66 112.08 3f1h n ARG 49 Ca -0.26 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.82 3f1h n ARG 49 Cb 0.67 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.11 3f1h n ARG 49 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3f1h n ARG 50 N 0.00 0.00 -1.35 5.56 0.00 -1.26 -4.91 116.66 114.70 3f1h n ARG 50 Ca 0.00 0.10 -0.53 0.00 -0.00 0.00 0.00 57.85 57.42 3f1h n ARG 50 Cb 0.00 -0.54 -0.07 0.00 -0.00 0.00 0.00 32.46 31.84 3f1h n ARG 50 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3f1h n PHE 51 N -0.95 0.85 0.00 2.89 3.72 -0.71 -4.88 117.46 118.37 3f1h n PHE 51 Ca 0.00 0.93 0.00 0.00 -0.05 0.00 0.00 57.45 58.33 3f1h n PHE 51 Cb 0.00 -1.83 0.00 0.00 -0.94 0.00 0.00 39.48 36.71 3f1h n PHE 51 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3f1h n GLU 52 N 1.95 -0.30 0.00 -1.08 -0.58 -1.26 -4.34 120.64 115.04 3f1h n GLU 52 Ca 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 3f1h n GLU 52 Cb 0.03 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.90 3f1h n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3f1h n GLY 53 N -1.91 2.62 1.17 0.62 0.00 -1.26 -4.35 105.19 102.09 3f1h n GLY 53 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3f1h n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1h n GLY 54 N 0.00 0.65 1.83 -0.02 0.00 -1.26 -5.02 105.19 101.36 3f1h n GLY 54 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3f1h n GLY 54 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3f1h n ARG 55 N -1.17 0.00 -0.02 1.61 1.85 -1.26 -5.03 116.66 112.64 3f1h n ARG 55 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3f1h n ARG 55 Cb 0.48 -0.09 0.00 0.00 -1.05 0.00 0.00 32.46 31.80 3f1h n ARG 55 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3f1h n SER 56 N -3.26 0.00 0.00 2.89 7.64 -1.26 -5.11 113.62 114.52 3f1h n SER 56 Ca 0.00 -0.38 0.00 0.00 1.01 0.00 0.00 58.87 59.50 3f1h n SER 56 Cb 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 3f1h n SER 56 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3f1h n THR 57 N 0.00 0.00 -0.78 0.44 -2.24 -1.26 -2.06 114.28 108.37 3f1h n THR 57 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3f1h n THR 57 Cb 0.19 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 3f1h n THR 57 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3f1h n THR 58 N 0.00 0.00 0.00 4.28 -1.04 -1.26 -4.86 114.28 111.40 3f1h n THR 58 Ca 0.00 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 3f1h n THR 58 Cb 0.00 1.77 0.00 0.00 -1.82 0.00 0.00 70.33 70.28 3f1h n THR 58 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3f1h n LEU 59 N -0.00 0.00 0.09 -4.42 0.00 -0.88 -0.26 117.00 111.53 3f1h n LEU 59 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 56.01 55.93 3f1h n LEU 59 Cb 0.20 0.00 0.01 0.00 0.00 0.00 0.00 43.42 43.63 3f1h n LEU 59 CO 0.00 0.00 0.28 0.24 0.00 0.00 0.00 177.39 177.91 3f1h h MET 60 N 0.40 0.18 -7.02 1.96 2.86 -1.89 -3.46 114.93 107.96 3f1h h MET 60 Ca 0.00 -0.19 -0.39 0.00 -2.06 0.00 0.00 59.70 57.06 3f1h h MET 60 Cb 0.00 0.05 0.22 0.00 0.06 0.00 0.00 31.60 31.93 3f1h h MET 60 CO 0.00 0.92 -0.12 -0.98 1.06 0.00 0.00 176.91 177.79 3f1h s ARG 61 N -3.24 -2.82 0.06 1.72 1.04 0.64 -5.05 118.95 111.29 3f1h s ARG 61 Ca -0.03 0.26 -0.11 0.00 -1.04 0.00 0.00 55.73 54.82 3f1h s ARG 61 Cb 0.10 -1.38 0.01 0.00 -2.04 0.00 0.00 34.95 31.64 3f1h s ARG 61 CO 0.82 -4.84 0.24 -0.48 -0.04 0.00 0.00 175.30 171.00 3f1h s LEU 62 N -7.85 1.18 -0.84 -1.89 -0.00 -1.26 -5.11 118.68 102.91 3f1h s LEU 62 Ca 0.68 -0.41 -0.23 0.00 -0.00 0.00 0.00 54.13 54.18 3f1h s LEU 62 Cb -0.15 1.15 0.07 0.00 -0.00 0.00 0.00 46.19 47.26 3f1h s LEU 62 CO 0.59 -0.65 1.21 -2.16 -0.00 0.00 0.00 176.35 175.35 3f1h s PRO 63 N -3.06 3.37 0.00 1.48 0.04 -1.26 -4.75 135.00 130.82 3f1h s PRO 63 Ca -0.01 -0.97 0.29 0.00 0.04 0.00 0.00 61.00 60.35 3f1h s PRO 63 Cb 0.01 -4.68 1.46 0.00 0.04 0.00 0.00 34.50 31.33 3f1h s PRO 63 CO -0.07 -2.00 2.02 1.17 0.04 0.00 0.00 177.00 178.16 3f1h n LYS 64 N 8.20 0.38 -0.43 4.56 4.81 -1.26 -4.22 118.16 130.20 3f1h n LYS 64 Ca 0.14 0.01 -0.07 0.00 -0.87 0.00 0.00 58.31 57.52 3f1h n LYS 64 Cb 0.49 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 33.98 3f1h n LYS 64 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3f1h n ARG 65 N -1.31 0.95 -0.60 1.64 3.00 -1.26 -4.85 116.66 114.24 3f1h n ARG 65 Ca 0.13 -0.58 -0.30 0.00 -0.01 0.00 0.00 57.85 57.09 3f1h n ARG 65 Cb 0.25 -1.85 0.20 0.00 0.00 0.00 0.00 32.46 31.06 3f1h n ARG 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3f1h n GLY 66 N 3.05 -1.49 3.15 -0.13 0.00 -1.26 -2.95 105.19 105.55 3f1h n GLY 66 Ca 0.20 -0.92 -0.17 0.00 0.00 0.00 0.00 46.02 45.13 3f1h n GLY 66 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3f1h n MET 67 N -4.02 -6.15 -0.00 1.61 0.00 -1.26 -4.90 117.12 102.39 3f1h n MET 67 Ca 0.06 0.70 -0.07 0.00 0.00 0.00 0.00 57.70 58.40 3f1h n MET 67 Cb 0.54 -5.33 0.11 0.00 0.00 0.00 0.00 33.22 28.55 3f1h n MET 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 175.97 175.41 3f1h h GLN 68 N -1.95 0.54 0.00 2.12 3.07 -1.94 -3.48 115.11 113.47 3f1h h GLN 68 Ca -0.48 -0.27 0.00 0.00 0.09 0.00 0.00 58.65 57.98 3f1h h GLN 68 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.86 3f1h h GLN 68 CO 0.44 0.85 0.00 0.41 0.09 0.00 0.00 178.83 180.63 3f1h n GLY 69 N -0.04 4.38 1.35 0.06 0.00 -1.26 -5.14 105.19 104.54 3f1h n GLY 69 Ca -0.02 -0.82 -0.07 0.00 0.00 0.00 0.00 46.02 45.12 3f1h n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3f1h n GLN 70 N -1.59 0.69 0.12 1.61 -0.06 -1.26 -5.03 117.38 111.86 3f1h n GLN 70 Ca 0.00 -1.03 -0.06 0.00 -2.00 0.00 0.00 57.00 53.91 3f1h n GLN 70 Cb 0.00 -0.14 -0.03 0.00 -4.06 0.00 0.00 30.24 26.02 3f1h n GLN 70 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3f1h h VAL 71 N -0.14 0.00 -0.02 1.69 2.07 -2.02 -3.19 116.25 114.65 3f1h h VAL 71 Ca -0.10 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 66.84 3f1h h VAL 71 Cb 0.43 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 3f1h h VAL 71 CO 0.13 0.00 0.07 -0.65 0.02 0.00 0.00 177.57 177.14 3f1h h PRO 72 N -0.96 0.00 0.00 1.57 0.11 -2.08 -3.46 132.00 127.18 3f1h h PRO 72 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3f1h h PRO 72 Cb 0.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.40 3f1h h PRO 72 CO 0.06 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.26 3f1h n GLY 73 N -1.18 0.31 3.30 -0.55 0.00 -1.21 -4.98 105.19 100.89 3f1h n GLY 73 Ca -0.02 -1.75 -0.44 0.00 0.00 0.00 0.00 46.02 43.80 3f1h n GLY 73 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3f1h n GLU 74 N 0.05 0.00 -3.67 1.61 4.07 -1.26 -4.62 120.64 116.82 3f1h n GLU 74 Ca 0.00 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.72 3f1h n GLU 74 Cb 0.00 -0.99 -0.10 0.00 -0.06 0.00 0.00 31.44 30.29 3f1h n GLU 74 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 3f1h s ILE 75 N -1.30 3.74 0.28 6.31 -5.25 -1.26 -5.08 121.20 118.64 3f1h s ILE 75 Ca 0.61 -1.87 -0.30 0.00 -0.99 0.00 0.00 60.65 58.10 3f1h s ILE 75 Cb -0.78 -3.48 -0.13 0.00 2.95 0.00 0.00 42.46 41.02 3f1h s ILE 75 CO 0.58 -0.69 1.44 1.17 -1.79 0.00 0.00 174.94 175.65 3f1h n LYS 76 N 4.75 2.26 -3.58 0.37 4.81 -1.26 -4.98 118.16 120.52 3f1h n LYS 76 Ca -0.06 0.80 -0.11 0.00 -0.87 0.00 0.00 58.31 58.08 3f1h n LYS 76 Cb 0.41 -2.48 -0.06 0.00 0.02 0.00 0.00 35.03 32.93 3f1h n LYS 76 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 3f1h s ARG 77 N -0.80 0.62 0.09 1.64 1.70 -1.26 -5.14 118.95 115.80 3f1h s ARG 77 Ca 0.64 0.25 -0.36 0.00 -0.47 0.00 0.00 55.73 55.78 3f1h s ARG 77 Cb -0.58 0.30 -0.18 0.00 -0.57 0.00 0.00 34.95 33.91 3f1h s ARG 77 CO 0.52 -0.17 1.10 -0.35 -1.08 0.00 0.00 175.30 175.32 3f1h n PRO 78 N 1.03 0.57 -4.07 3.89 -0.04 -1.26 -4.96 135.00 130.16 3f1h n PRO 78 Ca -0.11 0.21 -0.34 0.00 -0.04 0.00 0.00 63.50 63.21 3f1h n PRO 78 Cb 0.57 -1.68 -0.15 0.00 -0.04 0.00 0.00 33.50 32.20 3f1h n PRO 78 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3f1h s ARG 79 N -0.09 3.27 -0.22 0.54 0.52 -1.26 -5.10 118.95 116.61 3f1h s ARG 79 Ca 0.82 -0.69 -0.17 0.00 -0.52 0.00 0.00 55.73 55.17 3f1h s ARG 79 Cb -1.05 -2.84 -0.03 0.00 0.52 0.00 0.00 34.95 31.55 3f1h s ARG 79 CO 0.53 -0.15 0.45 0.71 0.02 0.00 0.00 175.30 176.86 3f1h s TYR 80 N 1.29 3.33 -0.18 -0.53 2.02 -1.26 -3.24 117.35 118.78 3f1h s TYR 80 Ca 0.03 0.64 -0.09 0.00 -0.37 0.00 0.00 57.07 57.28 3f1h s TYR 80 Cb -0.14 -2.61 -0.05 0.00 -0.40 0.00 0.00 41.96 38.76 3f1h s TYR 80 CO -0.05 -0.12 0.12 -1.14 -1.57 0.00 0.00 175.55 172.79 3f1h s GLN 81 N 1.72 4.02 -0.06 -0.62 0.74 0.22 -5.00 119.66 120.69 3f1h s GLN 81 Ca 0.20 -0.23 -0.28 0.00 0.05 0.00 0.00 55.36 55.11 3f1h s GLN 81 Cb -0.15 -3.34 -0.03 0.00 1.10 0.00 0.00 33.01 30.59 3f1h s GLN 81 CO 0.09 0.38 0.89 0.20 -0.55 0.00 0.00 175.29 176.30 3f1h s GLY 82 N 0.12 2.63 -0.24 2.59 0.00 -1.26 -1.63 107.32 109.54 3f1h s GLY 82 Ca 0.08 0.34 -0.05 0.00 0.00 0.00 0.00 44.72 45.09 3f1h s GLY 82 CO -0.01 1.60 0.01 0.54 0.00 0.00 0.00 173.10 175.24 3f1h s VAL 83 N 1.28 3.73 0.09 1.40 0.11 -0.66 -4.92 120.40 121.43 3f1h s VAL 83 Ca 0.46 -0.41 -0.31 0.00 -2.93 0.00 0.00 61.98 58.79 3f1h s VAL 83 Cb -0.19 -2.74 -0.07 0.00 -1.53 0.00 0.00 36.38 31.85 3f1h s VAL 83 CO 0.22 0.36 1.34 0.21 -3.33 0.00 0.00 175.10 173.90 3f1h s ASN 84 N 1.52 6.90 0.61 3.54 3.84 -1.26 -2.46 114.94 127.63 3f1h s ASN 84 Ca 0.06 2.22 0.41 0.00 0.21 0.00 0.00 52.86 55.75 3f1h s ASN 84 Cb -0.15 -2.58 2.15 0.00 -0.55 0.00 0.00 41.25 40.12 3f1h s ASN 84 CO -0.01 -0.61 2.24 0.17 -2.79 0.00 0.00 177.10 176.10 3f1h h LEU 85 N 6.95 0.00 -1.09 3.21 8.10 -1.23 -0.29 115.31 130.97 3f1h h LEU 85 Ca -0.42 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.50 3f1h h LEU 85 Cb 1.21 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.41 3f1h h LEU 85 CO 0.85 0.00 -0.14 0.07 -4.11 0.00 0.00 178.44 175.12 3f1h h LYS 86 N 0.00 0.48 0.11 0.17 2.10 -1.82 0.53 116.57 118.14 3f1h h LYS 86 Ca 0.00 -0.14 -0.29 0.00 -2.00 0.00 0.00 60.65 58.22 3f1h h LYS 86 Cb 0.07 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.34 3f1h h LYS 86 CO 0.00 0.62 -1.39 -0.44 -2.00 0.00 0.00 179.45 176.23 3f1h h ASP 87 N 0.45 0.35 -0.35 7.07 3.32 -1.40 -3.22 116.42 122.65 3f1h h ASP 87 Ca 0.08 -0.44 -0.00 0.00 0.02 0.00 0.00 57.03 56.68 3f1h h ASP 87 Cb 0.51 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3f1h h ASP 87 CO 0.03 1.36 0.20 0.25 -1.72 0.00 0.00 179.24 179.36 3f1h h LEU 88 N 0.06 0.43 -1.89 1.55 5.85 -1.16 -2.91 115.31 117.24 3f1h h LEU 88 Ca -0.19 -0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.58 3f1h h LEU 88 Cb 1.98 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.88 3f1h h LEU 88 CO 0.17 0.37 0.35 0.00 -0.34 0.00 0.00 178.44 178.99 3f1h h ALA 89 N 1.07 2.31 -1.78 1.25 0.00 0.02 -3.21 119.26 118.91 3f1h h ALA 89 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3f1h h ALA 89 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3f1h h ALA 89 CO -0.02 -0.44 0.00 -2.13 0.00 0.00 0.00 179.25 176.66 3f1h n ARG 90 N -4.43 0.00 -2.12 0.00 0.63 -1.10 -4.55 116.66 105.10 3f1h n ARG 90 Ca 0.09 0.38 -0.28 0.00 -0.92 0.00 0.00 57.85 57.11 3f1h n ARG 90 Cb 0.49 -0.71 0.14 0.00 0.45 0.00 0.00 32.46 32.83 3f1h n ARG 90 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 3f1h s PHE 91 N -1.24 1.88 0.00 -0.14 -0.71 -1.21 -5.10 117.98 111.46 3f1h s PHE 91 Ca 0.00 0.23 0.00 0.00 -1.04 0.00 0.00 56.93 56.12 3f1h s PHE 91 Cb 0.00 -3.69 0.00 0.00 -1.21 0.00 0.00 43.02 38.12 3f1h s PHE 91 CO 0.00 -2.20 0.00 -1.91 -1.34 0.00 0.00 175.22 169.77 3f1h n GLU 92 N -3.40 0.25 0.00 1.99 2.13 -1.26 -5.00 120.64 115.35 3f1h n GLU 92 Ca 0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.96 3f1h n GLU 92 Cb 0.60 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.31 3f1h n GLU 92 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3f1h n GLY 93 N 0.45 0.98 3.37 8.31 0.00 -1.26 -4.80 105.19 112.24 3f1h n GLY 93 Ca 0.00 -0.65 0.02 0.00 0.00 0.00 0.00 46.02 45.39 3f1h n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3f1h s GLU 94 N 0.00 0.50 0.04 1.61 2.12 -1.26 -4.23 118.70 117.48 3f1h s GLU 94 Ca 0.00 1.08 -0.15 0.00 0.36 0.00 0.00 54.97 56.26 3f1h s GLU 94 Cb 0.00 0.63 -0.06 0.00 0.26 0.00 0.00 34.13 34.96 3f1h s GLU 94 CO 0.00 -0.35 0.46 0.14 -0.54 0.00 0.00 175.26 174.96 3f1h s VAL 95 N 2.83 4.95 0.08 3.70 -7.23 -1.09 -5.02 120.40 118.63 3f1h s VAL 95 Ca 0.06 0.88 -0.01 0.00 -1.81 0.00 0.00 61.98 61.10 3f1h s VAL 95 Cb -0.12 -3.75 -0.04 0.00 0.56 0.00 0.00 36.38 33.03 3f1h s VAL 95 CO -0.19 0.51 -0.01 0.42 -0.31 0.00 0.00 175.10 175.53 3f1h s THR 96 N -1.16 0.25 0.32 5.32 -4.23 -1.26 -2.02 115.64 112.85 3f1h s THR 96 Ca 0.27 -1.86 0.08 0.00 -1.18 0.00 0.00 61.69 59.01 3f1h s THR 96 Cb -0.17 -1.71 0.32 0.00 1.34 0.00 0.00 72.50 72.28 3f1h s THR 96 CO 0.16 -0.81 1.65 -0.65 -0.54 0.00 0.00 174.62 174.43 3f1h h PRO 97 N 3.03 0.25 0.30 3.99 0.11 -1.97 -1.29 132.00 136.42 3f1h h PRO 97 Ca -0.35 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 3f1h h PRO 97 Cb 1.16 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3f1h h PRO 97 CO 0.64 0.17 -0.14 1.49 -0.21 0.00 0.00 178.00 179.94 3f1h h GLU 98 N 0.26 -0.39 -0.86 1.05 4.57 -1.96 -2.64 114.58 114.61 3f1h h GLU 98 Ca 0.65 0.03 0.12 0.00 -1.18 0.00 0.00 59.36 58.98 3f1h h GLU 98 Cb 1.40 0.09 -0.08 0.00 -0.16 0.00 0.00 28.75 30.00 3f1h h GLU 98 CO -0.64 -0.08 0.48 -0.07 -1.18 0.00 0.00 179.01 177.52 3f1h h LEU 99 N -0.72 0.65 0.07 1.64 4.07 -1.74 0.68 115.31 119.96 3f1h h LEU 99 Ca -0.04 0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.99 3f1h h LEU 99 Cb 0.49 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 3f1h h LEU 99 CO 0.07 0.32 -0.07 -0.07 -1.08 0.00 0.00 178.44 177.62 3f1h h LEU 100 N 0.74 -0.17 -0.62 1.67 -0.00 -1.21 -2.47 115.31 113.25 3f1h h LEU 100 Ca 0.44 0.02 -0.15 0.00 -0.00 0.00 0.00 57.88 58.19 3f1h h LEU 100 Cb 0.52 0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 41.23 3f1h h LEU 100 CO -0.30 -0.11 -0.50 1.62 -0.00 0.00 0.00 178.44 179.15 3f1h h VAL 101 N -0.15 1.32 0.00 1.22 3.04 -0.92 -2.81 116.25 117.95 3f1h h VAL 101 Ca 0.00 -1.74 0.00 0.00 -1.01 0.00 0.00 66.70 63.96 3f1h h VAL 101 Cb 0.14 1.73 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 3f1h h VAL 101 CO -0.02 0.54 0.00 -1.14 -1.01 0.00 0.00 177.57 175.94 3f1h n ARG 102 N -3.97 0.03 0.00 4.17 0.63 0.23 -3.04 116.66 114.71 3f1h n ARG 102 Ca -0.02 0.27 0.00 0.00 -0.92 0.00 0.00 57.85 57.18 3f1h n ARG 102 Cb 0.57 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.98 3f1h n ARG 102 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3f1h n ALA 103 N -1.29 0.44 0.00 5.13 0.00 -1.06 -5.03 120.51 118.71 3f1h n ALA 103 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3f1h n ALA 103 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3f1h n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f1h n GLY 104 N 0.05 2.60 3.86 0.00 0.00 -1.15 -5.10 105.19 105.45 3f1h n GLY 104 Ca 0.00 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 3f1h n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f1h s LEU 105 N 0.00 3.61 0.00 0.99 1.02 -1.07 -4.80 118.68 118.42 3f1h s LEU 105 Ca 0.00 -0.49 0.00 0.00 0.02 0.00 0.00 54.13 53.66 3f1h s LEU 105 Cb 0.00 -2.24 0.00 0.00 0.02 0.00 0.00 46.19 43.97 3f1h s LEU 105 CO 0.00 -0.37 0.00 0.18 0.02 0.00 0.00 176.35 176.18 3f1h n LEU 106 N -1.40 0.00 -2.88 1.79 7.99 -1.26 -2.03 117.00 119.21 3f1h n LEU 106 Ca -0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 55.86 3f1h n LEU 106 Cb 0.60 0.00 0.07 0.00 -0.11 0.00 0.00 43.42 43.98 3f1h n LEU 106 CO 0.42 0.00 0.08 1.17 -1.51 0.00 0.00 177.39 177.55 3f1h n LYS 107 N 0.00 -4.89 -0.80 3.23 3.00 -1.26 -3.41 118.16 114.02 3f1h n LYS 107 Ca 0.00 0.66 0.00 0.00 -0.00 0.00 0.00 58.31 58.97 3f1h n LYS 107 Cb 0.00 -5.09 0.00 0.00 0.00 0.00 0.00 35.03 29.94 3f1h n LYS 107 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3f1h n LYS 108 N -3.38 -0.58 0.23 1.64 5.02 -1.26 -4.71 118.16 115.11 3f1h n LYS 108 Ca -0.21 0.15 0.09 0.00 -2.02 0.00 0.00 58.31 56.32 3f1h n LYS 108 Cb 0.63 -4.10 0.50 0.00 -0.02 0.00 0.00 35.03 32.03 3f1h n LYS 108 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3f1h h GLY 109 N 0.00 0.00 0.00 0.72 0.00 -1.93 -3.44 103.07 98.42 3f1h h GLY 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3f1h h GLY 109 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 176.54 179.52 3f1h n TYR 110 N -2.35 0.00 -3.31 5.60 9.36 -1.26 -4.57 117.16 120.63 3f1h n TYR 110 Ca -0.01 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.78 3f1h n TYR 110 Cb 0.37 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 38.99 3f1h n TYR 110 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3f1h s ARG 111 N 0.00 3.08 -0.05 2.98 1.81 -1.20 -5.03 118.95 120.55 3f1h s ARG 111 Ca 0.00 -0.84 -0.22 0.00 -1.72 0.00 0.00 55.73 52.95 3f1h s ARG 111 Cb 0.00 -4.00 -0.04 0.00 -0.45 0.00 0.00 34.95 30.46 3f1h s ARG 111 CO 0.00 -0.92 0.64 -1.17 -0.68 0.00 0.00 175.30 173.17 3f1h s LEU 112 N 2.15 4.35 -0.36 2.53 0.20 -1.26 -0.61 118.68 125.68 3f1h s LEU 112 Ca 0.12 1.15 0.01 0.00 0.69 0.00 0.00 54.13 56.09 3f1h s LEU 112 Cb -0.18 -2.99 0.15 0.00 -0.43 0.00 0.00 46.19 42.74 3f1h s LEU 112 CO 0.13 -0.02 0.25 -0.75 -0.29 0.00 0.00 176.35 175.66 3f1h s LYS 113 N 0.42 0.59 0.34 1.98 2.20 -0.64 -0.19 119.74 124.43 3f1h s LYS 113 Ca 0.34 -1.30 -0.29 0.00 -0.36 0.00 0.00 55.97 54.36 3f1h s LYS 113 Cb -0.18 -1.19 -0.12 0.00 -1.51 0.00 0.00 37.83 34.83 3f1h s LYS 113 CO 0.17 -1.22 1.42 0.44 -0.36 0.00 0.00 175.35 175.79 3f1h n ILE 114 N 3.98 1.74 -3.14 5.43 -6.64 -1.20 -1.65 119.36 117.89 3f1h n ILE 114 Ca 0.13 -0.44 0.00 0.00 -1.77 0.00 0.00 62.75 60.68 3f1h n ILE 114 Cb 0.39 -1.76 0.00 0.00 -1.44 0.00 0.00 39.64 36.83 3f1h n ILE 114 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3f1h n LEU 115 N 1.01 0.00 0.00 7.28 -0.00 -1.03 -2.88 117.00 121.39 3f1h n LEU 115 Ca 0.05 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 56.06 3f1h n LEU 115 Cb 0.37 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.78 3f1h n LEU 115 CO 0.63 0.00 -0.01 0.61 -0.00 0.00 0.00 177.39 178.62 3f1h n GLY 116 N 0.00 -1.98 3.95 1.47 0.00 -1.26 -0.83 105.19 106.54 3f1h n GLY 116 Ca 0.00 -1.38 -0.23 0.00 0.00 0.00 0.00 46.02 44.40 3f1h n GLY 116 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3f1h s GLU 117 N -0.25 3.43 0.00 1.61 4.04 -1.26 -4.52 118.70 121.75 3f1h s GLU 117 Ca 0.00 -0.41 0.00 0.00 0.04 0.00 0.00 54.97 54.60 3f1h s GLU 117 Cb 0.00 -2.68 0.00 0.00 0.02 0.00 0.00 34.13 31.47 3f1h s GLU 117 CO 0.00 0.13 0.00 0.41 -1.84 0.00 0.00 175.26 173.96 3f1h n GLY 118 N -1.77 0.32 2.69 -3.83 0.00 -1.26 -3.71 105.19 97.62 3f1h n GLY 118 Ca -0.04 -1.26 -0.19 0.00 0.00 0.00 0.00 46.02 44.53 3f1h n GLY 118 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f1h s GLU 119 N -2.00 -0.07 0.12 1.61 0.41 -1.26 -4.98 118.70 112.52 3f1h s GLU 119 Ca 0.00 0.35 -0.31 0.00 -0.41 0.00 0.00 54.97 54.61 3f1h s GLU 119 Cb 0.00 -0.47 -0.08 0.00 -1.78 0.00 0.00 34.13 31.81 3f1h s GLU 119 CO 0.00 -0.31 1.33 0.00 -0.49 0.00 0.00 175.26 175.80 3f1h s ALA 120 N 2.00 3.54 0.30 5.21 0.00 -1.26 -4.78 121.76 126.77 3f1h s ALA 120 Ca 0.03 1.06 -0.28 0.00 0.00 0.00 0.00 51.96 52.77 3f1h s ALA 120 Cb -0.12 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.40 3f1h s ALA 120 CO -0.03 -0.56 1.02 0.15 0.00 0.00 0.00 175.76 176.34 3f1h s LYS 121 N 0.86 4.60 0.00 0.00 3.01 -1.26 -4.92 119.74 122.03 3f1h s LYS 121 Ca 0.62 1.59 0.00 0.00 -1.01 0.00 0.00 55.97 57.17 3f1h s LYS 121 Cb -0.35 -3.03 0.00 0.00 -1.01 0.00 0.00 37.83 33.43 3f1h s LYS 121 CO 0.31 0.24 0.03 -0.35 0.51 0.00 0.00 175.35 176.09 3f1h n PRO 122 N 0.94 0.03 -2.16 -1.68 -0.04 -1.25 -4.62 135.00 126.22 3f1h n PRO 122 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 3f1h n PRO 122 Cb 0.47 -1.00 0.03 0.00 -0.04 0.00 0.00 33.50 32.95 3f1h n PRO 122 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 3f1h s LEU 123 N -0.69 3.18 0.45 1.53 2.34 -1.26 -4.33 118.68 119.90 3f1h s LEU 123 Ca 0.00 1.03 -0.22 0.00 0.06 0.00 0.00 54.13 54.99 3f1h s LEU 123 Cb 0.00 -3.91 -0.08 0.00 -0.56 0.00 0.00 46.19 41.64 3f1h s LEU 123 CO 0.00 -1.04 1.07 -0.75 -1.06 0.00 0.00 176.35 174.56 3f1h s LYS 124 N -5.11 3.92 -0.31 1.48 2.20 -1.26 -3.64 119.74 117.01 3f1h s LYS 124 Ca 0.55 1.50 -0.00 0.00 -0.36 0.00 0.00 55.97 57.66 3f1h s LYS 124 Cb -0.11 -2.32 0.14 0.00 -1.51 0.00 0.00 37.83 34.03 3f1h s LYS 124 CO 0.49 -0.36 0.29 0.54 -0.36 0.00 0.00 175.35 175.95 3f1h s VAL 125 N -1.76 -0.30 0.07 4.02 0.11 -1.09 -2.68 120.40 118.77 3f1h s VAL 125 Ca 0.63 -0.73 -0.30 0.00 -2.93 0.00 0.00 61.98 58.65 3f1h s VAL 125 Cb -0.21 -0.93 -0.05 0.00 -1.53 0.00 0.00 36.38 33.66 3f1h s VAL 125 CO 0.26 -0.57 1.01 -0.69 -3.33 0.00 0.00 175.10 171.78 3f1h s VAL 126 N 2.01 4.49 0.25 2.04 1.01 -0.86 -3.50 120.40 125.84 3f1h s VAL 126 Ca 0.12 1.94 -0.03 0.00 0.00 0.00 0.00 61.98 64.00 3f1h s VAL 126 Cb -0.15 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 32.00 3f1h s VAL 126 CO -0.24 0.23 0.37 0.00 0.00 0.00 0.00 175.10 175.46 3f1h n ALA 127 N 3.26 -0.41 -0.01 5.51 0.00 -1.21 -4.22 120.51 123.42 3f1h n ALA 127 Ca 0.04 -1.07 0.11 0.00 0.00 0.00 0.00 53.44 52.53 3f1h n ALA 127 Cb 0.49 0.86 -0.17 0.00 0.00 0.00 0.00 19.45 20.63 3f1h n ALA 127 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3f1h n HIS 128 N -0.39 0.00 -3.64 0.00 8.25 0.74 -0.03 115.22 120.14 3f1h n HIS 128 Ca -0.01 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.40 3f1h n HIS 128 Cb 0.40 -0.49 -0.07 0.00 1.12 0.00 0.00 29.99 30.95 3f1h n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3f1h s ALA 129 N -3.49 -2.13 -0.08 -1.41 0.00 -1.05 -4.54 121.76 109.07 3f1h s ALA 129 Ca -0.08 1.76 0.00 0.00 0.00 0.00 0.00 51.96 53.64 3f1h s ALA 129 Cb 0.14 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 3f1h s ALA 129 CO 0.89 -0.16 -0.05 -0.06 0.00 0.00 0.00 175.76 176.39 3f1h s PHE 130 N 0.12 2.99 0.51 0.00 0.08 -1.26 -3.24 117.98 117.18 3f1h s PHE 130 Ca 0.06 0.05 -0.22 0.00 0.12 0.00 0.00 56.93 56.93 3f1h s PHE 130 Cb -0.05 -1.74 -0.06 0.00 -0.57 0.00 0.00 43.02 40.60 3f1h s PHE 130 CO -0.12 0.35 1.24 0.45 -0.10 0.00 0.00 175.22 177.04 3f1h s SER 131 N -0.78 5.70 0.19 1.36 0.15 -1.14 -4.79 113.70 114.39 3f1h s SER 131 Ca 0.12 2.49 -0.17 0.00 0.70 0.00 0.00 55.95 59.10 3f1h s SER 131 Cb -0.11 -2.61 0.16 0.00 -1.71 0.00 0.00 66.02 61.75 3f1h s SER 131 CO 0.02 -1.26 1.63 0.11 1.20 0.00 0.00 173.24 174.94 3f1h h LYS 132 N 1.67 -0.06 -0.48 5.44 6.56 -1.99 0.46 116.57 128.16 3f1h h LYS 132 Ca -0.50 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.08 3f1h h LYS 132 Cb 1.27 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.93 3f1h h LYS 132 CO 0.58 -0.04 0.24 0.66 -2.06 0.00 0.00 179.45 178.84 3f1h h SER 133 N -0.06 0.62 -0.47 0.86 4.64 -1.95 -2.69 113.55 114.49 3f1h h SER 133 Ca 0.25 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.43 3f1h h SER 133 Cb 0.45 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 3f1h h SER 133 CO -0.58 0.56 0.18 0.00 -0.87 0.00 0.00 176.83 176.12 3f1h h ALA 134 N 1.09 0.61 -0.74 5.18 0.00 -1.49 -2.80 119.26 121.11 3f1h h ALA 134 Ca 0.17 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 55.09 3f1h h ALA 134 Cb 0.09 -0.18 -0.13 0.00 0.00 0.00 0.00 17.79 17.57 3f1h h ALA 134 CO -0.02 0.23 0.01 1.25 0.00 0.00 0.00 179.25 180.71 3f1h h LEU 135 N 0.62 -0.34 -0.03 0.00 7.12 0.20 -2.55 115.31 120.32 3f1h h LEU 135 Ca 0.16 0.19 -0.07 0.00 0.13 0.00 0.00 57.88 58.29 3f1h h LEU 135 Cb 0.21 0.34 0.00 0.00 -0.53 0.00 0.00 40.66 40.68 3f1h h LEU 135 CO -0.01 -0.17 -0.24 -0.33 -0.13 0.00 0.00 178.44 177.55 3f1h h GLU 136 N 0.10 0.23 -0.99 1.25 4.39 -1.36 0.45 114.58 118.65 3f1h h GLU 136 Ca 0.40 -0.20 0.18 0.00 0.34 0.00 0.00 59.36 60.09 3f1h h GLU 136 Cb 0.71 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.30 3f1h h GLU 136 CO -0.65 0.87 0.59 0.87 -1.16 0.00 0.00 179.01 179.53 3f1h h LYS 137 N -0.35 0.74 0.00 2.33 1.57 -1.22 0.20 116.57 119.84 3f1h h LYS 137 Ca -0.02 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.49 3f1h h LYS 137 Cb 0.93 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.03 3f1h h LYS 137 CO 0.05 0.49 -1.25 1.37 -0.57 0.00 0.00 179.45 179.54 3f1h h LEU 138 N 0.76 0.00 -0.55 2.94 8.10 -1.45 -3.26 115.31 121.86 3f1h h LEU 138 Ca 0.56 0.00 0.06 0.00 0.11 0.00 0.00 57.88 58.61 3f1h h LEU 138 Cb 0.85 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 41.02 3f1h h LEU 138 CO -0.38 0.91 0.26 0.50 -4.11 0.00 0.00 178.44 175.63 3f1h h LYS 139 N 0.00 0.49 -2.21 0.17 3.64 0.97 0.11 116.57 119.74 3f1h h LYS 139 Ca -0.13 -0.03 -0.45 0.00 -1.27 0.00 0.00 60.65 58.77 3f1h h LYS 139 Cb 1.80 -0.11 -0.11 0.00 -0.41 0.00 0.00 32.23 33.40 3f1h h LYS 139 CO 0.10 0.32 0.83 0.00 -2.27 0.00 0.00 179.45 178.43 3f1h n ALA 140 N -2.36 6.61 0.00 5.00 0.00 -0.20 -3.78 120.51 125.79 3f1h n ALA 140 Ca 0.06 -2.86 0.00 0.00 0.00 0.00 0.00 53.44 50.63 3f1h n ALA 140 Cb 0.16 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.18 3f1h n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f1h n ALA 141 N 1.83 0.00 -3.00 0.00 0.00 -0.91 -4.99 120.51 113.44 3f1h n ALA 141 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3f1h n ALA 141 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 3f1h n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f1h n GLY 142 N 0.00 1.89 3.76 0.00 0.00 0.33 -3.95 105.19 107.22 3f1h n GLY 142 Ca 0.00 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 3f1h n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3f1h s GLY 143 N -0.83 2.00 -0.25 -0.02 0.00 -1.24 -4.52 107.32 102.47 3f1h s GLY 143 Ca 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 44.72 43.71 3f1h s GLY 143 CO 0.00 -0.93 0.30 -1.83 0.00 0.00 0.00 173.10 170.64 3f1h s GLU 144 N -2.17 0.29 0.20 2.90 -1.05 -1.26 -2.65 118.70 114.96 3f1h s GLU 144 Ca 0.27 0.20 0.03 0.00 -0.15 0.00 0.00 54.97 55.31 3f1h s GLU 144 Cb -0.12 -0.77 -0.03 0.00 -0.44 0.00 0.00 34.13 32.77 3f1h s GLU 144 CO 0.19 -0.79 0.34 -1.25 0.95 0.00 0.00 175.26 174.70 3f1h s PRO 145 N 2.42 3.45 0.73 -4.83 0.05 -1.23 -5.00 135.00 130.60 3f1h s PRO 145 Ca 0.10 -0.61 -0.04 0.00 0.05 0.00 0.00 61.00 60.49 3f1h s PRO 145 Cb -0.15 -2.91 0.15 0.00 0.05 0.00 0.00 34.50 31.64 3f1h s PRO 145 CO -0.21 0.46 1.00 1.55 0.05 0.00 0.00 177.00 179.85 3f1h n VAL 146 N -0.91 0.00 -0.78 -0.36 3.14 -1.26 -3.36 118.33 114.79 3f1h n VAL 146 Ca -0.07 -1.31 -0.29 0.00 -2.96 0.00 0.00 64.34 59.71 3f1h n VAL 146 Cb 0.55 -1.09 0.22 0.00 -1.06 0.00 0.00 33.84 32.46 3f1h n VAL 146 CO 0.00 0.00 0.00 -1.48 -6.46 0.00 0.00 176.83 168.89 3f1h s LEU 147 N 0.00 1.30 0.01 6.55 0.05 0.96 -4.38 118.68 123.17 3f1h s LEU 147 Ca 0.63 1.47 -0.04 0.00 0.05 0.00 0.00 54.13 56.25 3f1h s LEU 147 Cb -0.03 -3.53 -0.02 0.00 -2.05 0.00 0.00 46.19 40.56 3f1h s LEU 147 CO 0.43 -3.71 1.05 0.17 -0.55 0.00 0.00 176.35 173.74 3f1h h LEU 148 N -2.29 -0.13 0.00 1.48 -0.00 -1.97 -3.49 115.31 108.91 3f1h h LEU 148 Ca -0.57 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.31 3f1h h LEU 148 Cb 1.32 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 42.02 3f1h h LEU 148 CO 0.52 -0.07 0.00 1.21 -0.00 0.00 0.00 178.44 180.10 3f1h n GLU 149 N -2.49 0.00 0.00 0.17 4.07 -1.26 -5.23 120.64 115.91 3f1h n GLU 149 Ca -0.01 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.21 3f1h n GLU 149 Cb 0.05 0.00 0.10 0.00 -0.06 0.00 0.00 31.44 31.53 3f1h n GLU 149 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07