#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f6j s VAL 2 N 0.00 0.08 0.05 0.00 0.11 -1.26 -1.50 120.40 117.88 3f6j s VAL 2 Ca 0.00 -0.33 -0.02 0.00 -2.93 0.00 0.00 61.98 58.70 3f6j s VAL 2 Cb 0.00 -0.13 -0.03 0.00 -1.53 0.00 0.00 36.38 34.69 3f6j s VAL 2 CO 0.00 -0.15 0.02 -0.94 -3.33 0.00 0.00 175.10 170.69 3f6j s SER 3 N -0.50 0.36 -0.24 3.54 1.04 -0.15 -4.95 113.70 112.80 3f6j s SER 3 Ca -0.05 -0.81 -0.16 0.00 0.48 0.00 0.00 55.95 55.41 3f6j s SER 3 Cb -0.03 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.26 3f6j s SER 3 CO -0.00 -0.56 0.42 0.12 0.98 0.00 0.00 173.24 174.21 3f6j s PHE 4 N -3.34 3.30 -0.03 5.02 5.36 -1.26 -0.71 117.98 126.33 3f6j s PHE 4 Ca 0.01 0.56 0.00 0.00 -0.96 0.00 0.00 56.93 56.55 3f6j s PHE 4 Cb 0.04 -2.60 0.00 0.00 -0.34 0.00 0.00 43.02 40.12 3f6j s PHE 4 CO -0.08 -0.16 0.29 0.44 -1.46 0.00 0.00 175.22 174.26 3f6j n ILE 5 N 4.82 0.00 -0.81 3.12 -5.35 0.17 -4.94 119.36 116.38 3f6j n ILE 5 Ca -0.07 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.91 3f6j n ILE 5 Cb 0.51 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 3f6j n ILE 5 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3f6j n GLY 6 N 0.45 0.67 3.49 3.28 0.00 -0.38 -4.89 105.19 107.81 3f6j n GLY 6 Ca 0.00 -1.78 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 3f6j n GLY 6 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3f6j s SER 7 N -1.00 4.09 0.11 1.61 0.15 -1.26 -5.04 113.70 112.35 3f6j s SER 7 Ca 0.00 -0.21 -0.14 0.00 0.70 0.00 0.00 55.95 56.30 3f6j s SER 7 Cb 0.00 -0.85 -0.08 0.00 -1.71 0.00 0.00 66.02 63.37 3f6j s SER 7 CO 0.00 0.33 1.42 0.74 1.20 0.00 0.00 173.24 176.92 3f6j h THR 8 N 4.22 1.29 -3.33 6.45 2.02 -1.92 -3.44 112.91 118.21 3f6j h THR 8 Ca -0.47 -1.54 -0.65 0.00 0.77 0.00 0.00 66.41 64.52 3f6j h THR 8 Cb 1.15 1.59 -0.25 0.00 -1.74 0.00 0.00 68.15 68.91 3f6j h THR 8 CO 0.50 0.50 -0.72 -1.61 0.37 0.00 0.00 175.52 174.57 3f6j s GLU 9 N -4.28 3.51 -0.03 6.66 0.41 -1.26 -0.11 118.70 123.59 3f6j s GLU 9 Ca -0.12 -0.60 0.00 0.00 -0.41 0.00 0.00 54.97 53.84 3f6j s GLU 9 Cb 0.09 -2.82 0.03 0.00 -1.78 0.00 0.00 34.13 29.65 3f6j s GLU 9 CO 0.85 0.16 0.00 -0.80 -0.49 0.00 0.00 175.26 174.98 3f6j s ASN 10 N 0.55 0.39 0.01 -0.19 0.01 -0.75 -4.99 114.94 109.96 3f6j s ASN 10 Ca -0.05 -0.02 -0.16 0.00 -0.71 0.00 0.00 52.86 51.92 3f6j s ASN 10 Cb -0.15 -0.21 -0.06 0.00 0.41 0.00 0.00 41.25 41.24 3f6j s ASN 10 CO 0.03 -0.10 0.44 -1.81 -1.51 0.00 0.00 177.10 174.15 3f6j s ASP 11 N 0.99 6.86 -0.28 -1.22 1.01 -1.26 -0.88 116.67 121.89 3f6j s ASP 11 Ca -0.10 1.02 -0.07 0.00 0.71 0.00 0.00 52.55 54.11 3f6j s ASP 11 Cb -0.13 -2.27 -0.01 0.00 1.01 0.00 0.00 42.92 41.52 3f6j s ASP 11 CO -0.02 0.32 0.08 -0.69 0.21 0.00 0.00 175.17 175.07 3f6j s VAL 12 N -1.08 4.17 0.00 -1.27 1.01 0.75 -4.63 120.40 119.35 3f6j s VAL 12 Ca 0.25 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.77 3f6j s VAL 12 Cb -0.17 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.14 3f6j s VAL 12 CO 0.14 0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.04 3f6j n GLY 13 N 4.90 -0.39 3.77 4.51 0.00 -0.41 -1.53 105.19 116.04 3f6j n GLY 13 Ca -0.15 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 3f6j n GLY 13 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3f6j s PRO 14 N -3.04 4.32 0.20 1.61 0.04 -1.26 -4.61 135.00 132.27 3f6j s PRO 14 Ca 0.00 2.22 -0.31 0.00 0.04 0.00 0.00 61.00 62.96 3f6j s PRO 14 Cb 0.00 -3.04 -0.10 0.00 0.04 0.00 0.00 34.50 31.39 3f6j s PRO 14 CO 0.00 -0.22 1.53 0.45 0.04 0.00 0.00 177.00 178.80 3f6j s SER 15 N -0.49 6.59 -1.51 6.66 0.15 -1.26 -2.48 113.70 121.36 3f6j s SER 15 Ca 0.50 2.66 -0.12 0.00 0.70 0.00 0.00 55.95 59.69 3f6j s SER 15 Cb -0.40 -2.61 0.08 0.00 -1.71 0.00 0.00 66.02 61.38 3f6j s SER 15 CO 0.53 -0.79 0.92 0.18 1.20 0.00 0.00 173.24 175.28 3f6j n LEU 16 N 3.28 -2.57 -4.77 3.45 4.77 0.27 -4.96 117.00 116.46 3f6j n LEU 16 Ca 0.11 -0.80 -0.35 0.00 -0.03 0.00 0.00 56.01 54.94 3f6j n LEU 16 Cb 0.39 -2.54 0.00 0.00 -2.33 0.00 0.00 43.42 38.94 3f6j n LEU 16 CO 0.61 0.45 0.78 -0.83 -1.33 0.00 0.00 177.39 177.08 3f6j s GLY 17 N -3.48 2.63 -0.05 -0.72 0.00 -1.04 -4.81 107.32 99.86 3f6j s GLY 17 Ca 0.56 0.82 0.06 0.00 0.00 0.00 0.00 44.72 46.16 3f6j s GLY 17 CO 0.83 1.17 -0.22 -0.56 0.00 0.00 0.00 173.10 174.33 3f6j s SER 18 N -1.78 3.36 -0.01 1.64 0.01 -1.26 -0.96 113.70 114.70 3f6j s SER 18 Ca 0.73 -0.40 0.02 0.00 1.31 0.00 0.00 55.95 57.60 3f6j s SER 18 Cb -0.24 -0.69 -0.00 0.00 0.21 0.00 0.00 66.02 65.30 3f6j s SER 18 CO 0.27 0.30 -0.06 -0.31 0.41 0.00 0.00 173.24 173.84 3f6j s TYR 19 N -0.45 0.60 0.36 2.43 2.02 -0.24 -4.97 117.35 117.10 3f6j s TYR 19 Ca 0.05 -0.12 0.08 0.00 -0.37 0.00 0.00 57.07 56.72 3f6j s TYR 19 Cb -0.12 -0.40 -0.05 0.00 -0.40 0.00 0.00 41.96 40.99 3f6j s TYR 19 CO 0.01 -0.03 0.08 -1.12 -1.57 0.00 0.00 175.55 172.92 3f6j s SER 20 N -0.03 4.30 0.93 2.29 0.01 -1.26 0.06 113.70 120.00 3f6j s SER 20 Ca 0.01 -1.01 -0.10 0.00 1.31 0.00 0.00 55.95 56.16 3f6j s SER 20 Cb -0.04 -0.54 0.16 0.00 0.21 0.00 0.00 66.02 65.81 3f6j s SER 20 CO -0.00 -0.34 1.14 0.00 0.41 0.00 0.00 173.24 174.44 3f6j s ARG 21 N -3.79 0.85 0.00 12.44 3.03 -1.23 -4.76 118.95 125.50 3f6j s ARG 21 Ca 0.37 1.48 0.00 0.00 2.03 0.00 0.00 55.73 59.61 3f6j s ARG 21 Cb 0.01 -1.71 0.00 0.00 -1.03 0.00 0.00 34.95 32.22 3f6j s ARG 21 CO 0.21 -2.72 0.00 -0.35 -1.13 0.00 0.00 175.30 171.30 3f6j n PRO 29 N -4.29 0.00 -3.76 3.89 -0.04 -1.26 -4.53 135.00 125.00 3f6j n PRO 29 Ca 0.11 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.21 3f6j n PRO 29 Cb 0.52 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.88 3f6j n PRO 29 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3f6j s PHE 30 N 0.00 3.27 -0.21 0.54 5.36 -0.63 -4.92 117.98 121.38 3f6j s PHE 30 Ca 0.00 0.11 -0.07 0.00 -0.96 0.00 0.00 56.93 56.02 3f6j s PHE 30 Cb 0.00 -2.21 -0.03 0.00 -0.34 0.00 0.00 43.02 40.43 3f6j s PHE 30 CO 0.00 0.05 0.06 0.08 -1.46 0.00 0.00 175.22 173.94 3f6j s VAL 31 N 0.92 4.45 0.13 3.12 1.01 -1.26 -0.61 120.40 128.16 3f6j s VAL 31 Ca 0.06 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 3f6j s VAL 31 Cb -0.13 -3.04 -0.06 0.00 0.00 0.00 0.00 36.38 33.14 3f6j s VAL 31 CO 0.03 0.40 1.06 -0.31 0.00 0.00 0.00 175.10 176.28 3f6j s TYR 32 N 1.01 3.66 -1.30 5.22 1.51 -0.68 -4.97 117.35 121.79 3f6j s TYR 32 Ca 0.04 1.64 -0.13 0.00 -1.01 0.00 0.00 57.07 57.60 3f6j s TYR 32 Cb -0.14 -3.21 0.12 0.00 -0.11 0.00 0.00 41.96 38.63 3f6j s TYR 32 CO 0.03 -0.37 1.78 -0.40 -1.11 0.00 0.00 175.55 175.49 3f6j n ASP 33 N 2.79 4.86 -0.61 2.29 3.85 -1.26 -4.50 116.55 123.97 3f6j n ASP 33 Ca 0.03 -2.98 0.12 0.00 -0.71 0.00 0.00 54.79 51.26 3f6j n ASP 33 Cb 0.47 -1.60 0.18 0.00 -1.35 0.00 0.00 41.12 38.82 3f6j n ASP 33 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3f6j n THR 34 N 4.73 0.00 0.00 2.12 -2.24 -1.26 -5.01 114.28 112.61 3f6j n THR 34 Ca 0.43 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 3f6j n THR 34 Cb 0.41 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 3f6j n THR 34 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3f6j n ARG 35 N 0.36 0.00 -0.25 -0.78 5.12 -1.26 -1.60 116.66 118.25 3f6j n ARG 35 Ca 0.13 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 56.13 3f6j n ARG 35 Cb 0.47 0.00 0.22 0.00 -1.16 0.00 0.00 32.46 32.00 3f6j n ARG 35 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3f6j n ASN 36 N 5.48 3.35 -0.31 0.55 3.02 -1.26 -4.59 115.26 121.50 3f6j n ASN 36 Ca 0.00 -1.98 -0.04 0.00 -0.03 0.00 0.00 54.58 52.53 3f6j n ASN 36 Cb 0.00 -0.33 0.08 0.00 -0.61 0.00 0.00 39.78 38.92 3f6j n ASN 36 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3f6j h LYS 37 N 3.13 1.16 -3.39 3.52 6.56 -1.66 -3.10 116.57 122.78 3f6j h LYS 37 Ca 0.00 -0.12 -0.79 0.00 -1.06 0.00 0.00 60.65 58.67 3f6j h LYS 37 Cb 0.84 -0.23 -0.25 0.00 -0.57 0.00 0.00 32.23 32.02 3f6j h LYS 37 CO 0.00 0.84 0.96 -0.89 -2.06 0.00 0.00 179.45 178.30 3f6j n ILE 38 N -4.40 4.85 -4.22 1.86 5.41 -1.26 -4.16 119.36 117.43 3f6j n ILE 38 Ca 0.08 -5.40 -0.13 0.00 1.00 0.00 0.00 62.75 58.31 3f6j n ILE 38 Cb 0.08 -2.31 -0.10 0.00 -0.71 0.00 0.00 39.64 36.60 3f6j n ILE 38 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3f6j s GLY 39 N 0.01 1.36 -0.02 7.39 0.00 -1.17 -1.66 107.32 113.23 3f6j s GLY 39 Ca 0.34 -1.67 0.01 0.00 0.00 0.00 0.00 44.72 43.40 3f6j s GLY 39 CO 0.03 -1.46 -0.04 -0.47 0.00 0.00 0.00 173.10 171.15 3f6j s TYR 40 N -3.95 0.54 -0.02 1.90 5.04 0.41 -1.29 117.35 119.99 3f6j s TYR 40 Ca 0.32 -0.11 -0.01 0.00 -2.44 0.00 0.00 57.07 54.84 3f6j s TYR 40 Cb 0.07 -0.44 0.01 0.00 0.35 0.00 0.00 41.96 41.96 3f6j s TYR 40 CO 0.08 -0.09 0.03 -1.14 -1.34 0.00 0.00 175.55 173.10 3f6j s GLN 41 N 0.40 0.00 -0.19 4.97 0.74 -1.26 -0.59 119.66 123.73 3f6j s GLN 41 Ca -0.05 0.11 -0.04 0.00 0.05 0.00 0.00 55.36 55.43 3f6j s GLN 41 Cb -0.08 -0.10 0.09 0.00 1.10 0.00 0.00 33.01 34.02 3f6j s GLN 41 CO -0.00 -0.08 0.31 1.21 -0.55 0.00 0.00 175.29 176.18 3f6j s ASN 42 N 0.49 0.45 0.52 6.67 3.84 -0.69 -5.03 114.94 121.19 3f6j s ASN 42 Ca -0.04 0.39 0.33 0.00 0.21 0.00 0.00 52.86 53.75 3f6j s ASN 42 Cb -0.06 0.85 1.42 0.00 -0.55 0.00 0.00 41.25 42.91 3f6j s ASN 42 CO -0.02 -0.27 1.99 0.00 -2.79 0.00 0.00 177.10 176.01 3f6j h ALA 43 N 8.25 1.00 -2.25 1.71 0.00 -1.92 0.52 119.26 126.56 3f6j h ALA 43 Ca -0.16 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.16 3f6j h ALA 43 Cb 1.13 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.52 3f6j h ALA 43 CO 0.20 0.00 -0.81 0.09 0.00 0.00 0.00 179.25 178.73 3f6j n ASN 44 N -2.97 1.98 -0.12 0.00 4.13 -1.26 -2.68 115.26 114.34 3f6j n ASN 44 Ca 0.00 -3.04 -0.20 0.00 1.68 0.00 0.00 54.58 53.02 3f6j n ASN 44 Cb 0.27 -0.66 -0.12 0.00 -1.54 0.00 0.00 39.78 37.73 3f6j n ASN 44 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3f6j n VAL 45 N 1.39 1.52 -5.14 2.41 0.31 -0.34 -4.03 118.33 114.45 3f6j n VAL 45 Ca 0.26 -0.55 -0.29 0.00 -0.01 0.00 0.00 64.34 63.74 3f6j n VAL 45 Cb 0.45 -1.51 -0.16 0.00 -0.91 0.00 0.00 33.84 31.71 3f6j n VAL 45 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 3f6j s TRP 46 N -2.52 2.16 -0.11 3.52 0.51 -0.58 -0.66 118.94 121.26 3f6j s TRP 46 Ca -0.34 -0.41 -0.16 0.00 -2.12 0.00 0.00 56.10 53.07 3f6j s TRP 46 Cb 0.10 -1.37 -0.05 0.00 -0.81 0.00 0.00 33.47 31.34 3f6j s TRP 46 CO 0.60 -0.01 0.39 -1.58 -0.51 0.00 0.00 176.95 175.84 3f6j s HIS 47 N -0.61 3.54 0.06 -1.98 5.65 0.11 -0.14 115.29 121.93 3f6j s HIS 47 Ca 0.09 0.80 0.03 0.00 0.25 0.00 0.00 55.06 56.24 3f6j s HIS 47 Cb -0.09 -2.42 -0.03 0.00 -1.18 0.00 0.00 32.58 28.86 3f6j s HIS 47 CO -0.00 0.29 -0.10 0.96 -0.65 0.00 0.00 174.74 175.24 3f6j s ILE 48 N 0.22 0.78 0.17 0.89 -4.36 -0.43 -0.98 121.20 117.49 3f6j s ILE 48 Ca 0.22 -1.30 -0.16 0.00 -0.26 0.00 0.00 60.65 59.15 3f6j s ILE 48 Cb -0.15 -0.94 0.03 0.00 1.25 0.00 0.00 42.46 42.65 3f6j s ILE 48 CO 0.09 -0.41 0.45 -0.44 0.24 0.00 0.00 174.94 174.87 3f6j s SER 49 N -1.88 -0.22 -1.19 4.36 0.01 -0.56 -0.78 113.70 113.43 3f6j s SER 49 Ca -0.04 -0.45 -0.13 0.00 1.31 0.00 0.00 55.95 56.64 3f6j s SER 49 Cb -0.08 0.52 -0.01 0.00 0.21 0.00 0.00 66.02 66.66 3f6j s SER 49 CO 0.01 -0.96 0.75 0.29 0.41 0.00 0.00 173.24 173.73 3f6j n LYS 50 N -0.29 -2.24 -0.79 12.44 5.02 -0.26 -2.07 118.16 129.97 3f6j n LYS 50 Ca -0.12 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 3f6j n LYS 50 Cb 0.63 -4.56 0.00 0.00 -0.02 0.00 0.00 35.03 31.08 3f6j n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f6j n GLY 51 N -1.64 0.76 3.73 0.72 0.00 -0.53 -4.58 105.19 103.64 3f6j n GLY 51 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 3f6j n GLY 51 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3f6j s PHE 52 N -2.83 2.86 -0.12 1.61 5.36 -1.02 -4.66 117.98 119.18 3f6j s PHE 52 Ca 0.00 0.54 0.00 0.00 -0.96 0.00 0.00 56.93 56.51 3f6j s PHE 52 Cb 0.00 -4.10 -0.02 0.00 -0.34 0.00 0.00 43.02 38.57 3f6j s PHE 52 CO 0.00 -3.97 -0.13 0.00 -1.46 0.00 0.00 175.22 169.66 3f6j s VAL 54 N 0.21 -0.00 0.00 0.00 0.11 0.06 -1.36 120.40 119.42 3f6j s VAL 54 Ca -0.08 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 3f6j s VAL 54 Cb -0.15 -0.65 0.00 0.00 -1.53 0.00 0.00 36.38 34.05 3f6j s VAL 54 CO 0.05 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.44 3f6j n GLY 55 N 3.07 6.67 2.93 6.54 0.00 0.07 -1.51 105.19 122.95 3f6j n GLY 55 Ca -0.15 -2.00 -0.16 0.00 0.00 0.00 0.00 46.02 43.71 3f6j n GLY 55 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f6j s LEU 56 N 0.00 1.79 -0.02 0.99 1.43 -0.62 -0.87 118.68 121.38 3f6j s LEU 56 Ca 0.00 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 3f6j s LEU 56 Cb 0.00 -0.28 -0.04 0.00 0.03 0.00 0.00 46.19 45.90 3f6j s LEU 56 CO 0.00 0.02 0.06 -1.81 0.23 0.00 0.00 176.35 174.86 3f6j s ASP 57 N 0.19 5.59 0.21 2.29 1.01 -0.37 -1.10 116.67 124.50 3f6j s ASP 57 Ca -0.02 0.15 0.11 0.00 0.71 0.00 0.00 52.55 53.50 3f6j s ASP 57 Cb -0.05 -1.60 -0.05 0.00 1.01 0.00 0.00 42.92 42.23 3f6j s ASP 57 CO -0.00 0.30 -0.23 -0.83 0.21 0.00 0.00 175.17 174.62 3f6j s GLY 58 N -1.55 1.73 -0.12 0.21 0.00 0.05 -0.59 107.32 107.05 3f6j s GLY 58 Ca 0.21 -1.69 -0.06 0.00 0.00 0.00 0.00 44.72 43.18 3f6j s GLY 58 CO 0.11 -1.73 0.28 1.25 0.00 0.00 0.00 173.10 173.01 3f6j s LYS 59 N -2.88 0.22 -0.17 2.90 2.20 -0.39 -0.74 119.74 120.89 3f6j s LYS 59 Ca 0.23 0.64 -0.06 0.00 -0.36 0.00 0.00 55.97 56.41 3f6j s LYS 59 Cb -0.07 -0.07 -0.04 0.00 -1.51 0.00 0.00 37.83 36.14 3f6j s LYS 59 CO 0.11 -0.20 0.02 0.08 -0.36 0.00 0.00 175.35 175.00 3f6j s VAL 60 N 1.61 4.44 -0.92 4.02 1.01 -1.26 -1.34 120.40 127.96 3f6j s VAL 60 Ca -0.07 -0.16 0.22 0.00 0.00 0.00 0.00 61.98 61.97 3f6j s VAL 60 Cb -0.11 -2.97 -0.20 0.00 0.00 0.00 0.00 36.38 33.10 3f6j s VAL 60 CO -0.09 0.48 0.95 0.47 0.00 0.00 0.00 175.10 176.91 3f6j n ASP 61 N 3.42 0.85 -4.78 3.32 8.00 -0.17 -4.30 116.55 122.90 3f6j n ASP 61 Ca -0.17 -0.79 -0.35 0.00 0.71 0.00 0.00 54.79 54.19 3f6j n ASP 61 Cb 0.52 0.95 -0.00 0.00 -0.02 0.00 0.00 41.12 42.58 3f6j n ASP 61 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3f6j s LEU 62 N -3.15 3.75 0.38 0.64 1.43 -1.25 -4.98 118.68 115.50 3f6j s LEU 62 Ca 0.07 2.14 -0.27 0.00 -1.03 0.00 0.00 54.13 55.04 3f6j s LEU 62 Cb 0.16 -4.58 -0.09 0.00 0.03 0.00 0.00 46.19 41.71 3f6j s LEU 62 CO 0.85 -1.18 1.31 -2.16 0.23 0.00 0.00 176.35 175.40 3f6j s PRO 63 N -3.31 4.08 -0.17 1.29 0.04 -1.26 -4.82 135.00 130.86 3f6j s PRO 63 Ca 0.72 2.19 -0.25 0.00 0.04 0.00 0.00 61.00 63.69 3f6j s PRO 63 Cb -0.23 -2.85 -0.01 0.00 0.04 0.00 0.00 34.50 31.45 3f6j s PRO 63 CO 0.27 -0.41 0.84 0.08 0.04 0.00 0.00 177.00 177.81 3f6j s VAL 64 N -1.23 4.88 -0.19 -0.36 1.01 -1.26 -0.87 120.40 122.37 3f6j s VAL 64 Ca 0.55 1.65 0.02 0.00 0.00 0.00 0.00 61.98 64.19 3f6j s VAL 64 Cb -0.39 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 31.86 3f6j s VAL 64 CO 0.50 0.02 0.54 1.33 0.00 0.00 0.00 175.10 177.50 3f6j n VAL 65 N 4.73 0.00 -2.27 2.92 0.24 0.28 -4.91 118.33 119.32 3f6j n VAL 65 Ca 0.05 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 3f6j n VAL 65 Cb 0.49 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 3f6j n VAL 65 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3f6j n GLY 66 N 0.11 -1.24 3.26 7.63 0.00 -1.11 -4.97 105.19 108.87 3f6j n GLY 66 Ca 0.01 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 3f6j n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f6j s SER 67 N -2.96 -0.31 -0.03 1.61 1.04 -1.26 -0.75 113.70 111.04 3f6j s SER 67 Ca 0.00 0.47 -0.01 0.00 0.48 0.00 0.00 55.95 56.88 3f6j s SER 67 Cb 0.00 0.56 0.03 0.00 0.10 0.00 0.00 66.02 66.71 3f6j s SER 67 CO 0.00 -0.28 0.05 -0.22 0.98 0.00 0.00 173.24 173.77 3f6j s LEU 68 N -0.50 0.45 -1.35 2.42 2.96 0.02 -4.87 118.68 117.81 3f6j s LEU 68 Ca -0.06 0.07 -0.12 0.00 -0.22 0.00 0.00 54.13 53.80 3f6j s LEU 68 Cb -0.04 -0.12 0.10 0.00 0.50 0.00 0.00 46.19 46.63 3f6j s LEU 68 CO 0.02 -0.21 0.55 0.47 -1.32 0.00 0.00 176.35 175.86 3f6j n ASP 69 N 4.93 -3.40 0.00 3.68 8.00 -1.26 -1.39 116.55 127.11 3f6j n ASP 69 Ca -0.11 -0.54 0.00 0.00 0.71 0.00 0.00 54.79 54.85 3f6j n ASP 69 Cb 0.50 -2.82 0.00 0.00 -0.02 0.00 0.00 41.12 38.78 3f6j n ASP 69 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3f6j n GLY 70 N -1.19 0.72 3.47 0.44 0.00 -1.26 -5.06 105.19 102.32 3f6j n GLY 70 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 3f6j n GLY 70 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3f6j s GLN 71 N -0.59 1.69 0.35 1.61 -2.07 -0.49 -4.90 119.66 115.25 3f6j s GLN 71 Ca 0.00 -1.52 -0.28 0.00 -1.82 0.00 0.00 55.36 51.74 3f6j s GLN 71 Cb 0.00 -1.90 -0.09 0.00 -1.09 0.00 0.00 33.01 29.92 3f6j s GLN 71 CO 0.00 0.39 1.20 -1.12 -1.32 0.00 0.00 175.29 174.44 3f6j s SER 72 N -2.91 6.79 -0.23 12.60 0.01 -0.95 -0.80 113.70 128.21 3f6j s SER 72 Ca 0.24 2.46 -0.15 0.00 1.31 0.00 0.00 55.95 59.81 3f6j s SER 72 Cb -0.07 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 3f6j s SER 72 CO 0.12 -0.49 0.35 -0.63 0.41 0.00 0.00 173.24 173.00 3f6j s ILE 73 N -1.25 5.21 -0.13 1.44 1.01 0.07 -4.53 121.20 123.02 3f6j s ILE 73 Ca 0.51 0.57 -0.06 0.00 0.00 0.00 0.00 60.65 61.67 3f6j s ILE 73 Cb -0.34 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 3f6j s ILE 73 CO 0.45 0.23 0.08 -0.31 0.00 0.00 0.00 174.94 175.39 3f6j s TYR 74 N 1.57 3.39 -0.05 3.97 2.02 -0.12 -0.56 117.35 127.57 3f6j s TYR 74 Ca 0.16 0.32 -0.13 0.00 -0.37 0.00 0.00 57.07 57.05 3f6j s TYR 74 Cb -0.15 -1.94 -0.05 0.00 -0.40 0.00 0.00 41.96 39.42 3f6j s TYR 74 CO 0.08 0.51 0.33 0.20 -1.57 0.00 0.00 175.55 175.10 3f6j s GLY 75 N -0.60 2.37 -0.16 0.71 0.00 -0.05 -0.02 107.32 109.57 3f6j s GLY 75 Ca 0.11 -0.34 -0.05 0.00 0.00 0.00 0.00 44.72 44.44 3f6j s GLY 75 CO 0.02 0.09 -0.19 1.04 0.00 0.00 0.00 173.10 174.06 3f6j n LEU 76 N 2.16 1.88 -4.17 0.66 4.77 -0.05 -4.40 117.00 117.85 3f6j n LEU 76 Ca -0.15 0.09 -0.17 0.00 -0.03 0.00 0.00 56.01 55.76 3f6j n LEU 76 Cb 0.53 -0.52 -0.06 0.00 -2.33 0.00 0.00 43.42 41.05 3f6j n LEU 76 CO 0.36 0.51 0.05 0.42 -1.33 0.00 0.00 177.39 177.40 3f6j s THR 77 N -2.31 0.00 0.41 -5.08 -4.23 -0.83 -5.00 115.64 98.60 3f6j s THR 77 Ca -0.23 -1.76 0.09 0.00 -1.18 0.00 0.00 61.69 58.62 3f6j s THR 77 Cb 0.08 -2.60 0.22 0.00 1.34 0.00 0.00 72.50 71.53 3f6j s THR 77 CO 0.32 0.00 2.00 -0.08 -0.54 0.00 0.00 174.62 176.32 3f6j h GLU 78 N 2.11 0.35 0.00 3.99 4.81 -1.98 -3.15 114.58 120.71 3f6j h GLU 78 Ca -0.27 -0.05 -0.25 0.00 -0.13 0.00 0.00 59.36 58.66 3f6j h GLU 78 Cb 1.24 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.50 3f6j h GLU 78 CO 0.38 0.33 -1.90 0.39 -0.73 0.00 0.00 179.01 177.48 3f6j n GLU 79 N -4.39 0.65 -5.05 1.92 4.71 -1.26 -4.32 120.64 112.90 3f6j n GLU 79 Ca 0.01 0.11 -0.30 0.00 -0.01 0.00 0.00 57.16 56.97 3f6j n GLU 79 Cb 0.16 -1.67 -0.17 0.00 -1.01 0.00 0.00 31.44 28.75 3f6j n GLU 79 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3f6j s VAL 80 N -2.75 1.84 0.14 2.62 1.01 -1.19 0.56 120.40 122.63 3f6j s VAL 80 Ca -0.06 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.03 3f6j s VAL 80 Cb 0.08 -1.61 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 3f6j s VAL 80 CO 0.83 0.51 0.01 0.61 0.00 0.00 0.00 175.10 177.07 3f6j n GLY 81 N 3.61 3.97 2.89 4.51 0.00 0.52 -0.87 105.19 119.82 3f6j n GLY 81 Ca -0.20 -2.16 -0.12 0.00 0.00 0.00 0.00 46.02 43.54 3f6j n GLY 81 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f6j s LEU 82 N 0.00 2.00 -0.06 0.99 1.43 0.98 -0.53 118.68 123.49 3f6j s LEU 82 Ca 0.02 -0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 52.95 3f6j s LEU 82 Cb 0.00 0.04 -0.05 0.00 0.03 0.00 0.00 46.19 46.21 3f6j s LEU 82 CO 0.01 -0.05 0.29 -0.76 0.23 0.00 0.00 176.35 176.08 3f6j s LEU 83 N -0.21 4.42 -0.02 1.79 1.43 -0.30 -0.94 118.68 124.85 3f6j s LEU 83 Ca -0.02 0.73 0.03 0.00 -1.03 0.00 0.00 54.13 53.84 3f6j s LEU 83 Cb -0.01 -2.36 -0.00 0.00 0.03 0.00 0.00 46.19 43.84 3f6j s LEU 83 CO -0.00 0.34 -0.11 -0.63 0.23 0.00 0.00 176.35 176.18 3f6j s ILE 84 N -0.93 0.88 -0.02 -0.59 1.01 -1.26 -0.96 121.20 119.33 3f6j s ILE 84 Ca 0.20 -0.44 0.06 0.00 0.00 0.00 0.00 60.65 60.46 3f6j s ILE 84 Cb -0.15 -0.76 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 3f6j s ILE 84 CO 0.09 0.26 -0.20 0.26 0.00 0.00 0.00 174.94 175.35 3f6j s TRP 85 N -0.03 1.78 0.05 3.97 0.51 0.54 -0.66 118.94 125.10 3f6j s TRP 85 Ca 0.00 -0.36 0.05 0.00 -2.12 0.00 0.00 56.10 53.67 3f6j s TRP 85 Cb -0.07 -1.15 -0.02 0.00 -0.81 0.00 0.00 33.47 31.42 3f6j s TRP 85 CO 0.00 -0.05 -0.13 -1.64 -0.51 0.00 0.00 176.95 174.62 3f6j s MET 86 N -0.40 0.83 0.00 4.98 -1.94 -0.59 -1.07 119.30 121.11 3f6j s MET 86 Ca 0.06 -0.80 0.00 0.00 -1.71 0.00 0.00 55.69 53.24 3f6j s MET 86 Cb -0.08 -0.81 0.00 0.00 2.01 0.00 0.00 34.83 35.95 3f6j s MET 86 CO -0.00 0.19 0.00 0.41 -0.01 0.00 0.00 175.02 175.61 3f6j n GLY 87 N 1.68 -1.01 3.35 -0.03 0.00 -0.73 -0.34 105.19 108.11 3f6j n GLY 87 Ca -0.19 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 3f6j n GLY 87 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3f6j n ASP 88 N 0.28 -2.23 -0.23 1.61 2.03 -1.26 -0.90 116.55 115.85 3f6j n ASP 88 Ca 0.00 -0.21 -0.12 0.00 0.52 0.00 0.00 54.79 54.98 3f6j n ASP 88 Cb 0.00 -1.09 -0.08 0.00 -0.72 0.00 0.00 41.12 39.23 3f6j n ASP 88 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3f6j h THR 89 N -2.50 0.02 -3.35 5.18 2.02 -1.75 -3.11 112.91 109.42 3f6j h THR 89 Ca -0.58 0.00 -0.53 0.00 0.77 0.00 0.00 66.41 66.07 3f6j h THR 89 Cb 1.34 0.02 0.05 0.00 -1.74 0.00 0.00 68.15 67.82 3f6j h THR 89 CO 0.43 0.00 0.73 -0.54 0.37 0.00 0.00 175.52 176.52 3f6j s LYS 90 N -5.66 4.30 0.42 6.66 -0.14 -1.26 -4.34 119.74 119.72 3f6j s LYS 90 Ca -0.14 2.23 0.10 0.00 -1.36 0.00 0.00 55.97 56.80 3f6j s LYS 90 Cb 0.10 -3.14 0.93 0.00 -1.68 0.00 0.00 37.83 34.04 3f6j s LYS 90 CO 0.63 -0.38 2.02 1.88 -0.76 0.00 0.00 175.35 178.73 3f6j h TYR 91 N 5.25 0.50 0.00 3.18 -1.99 -1.98 -0.61 116.97 121.33 3f6j h TYR 91 Ca -0.45 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.29 3f6j h TYR 91 Cb 1.22 -0.17 0.00 0.00 2.00 0.00 0.00 36.73 39.78 3f6j h TYR 91 CO 0.61 0.28 0.00 0.66 -0.00 0.00 0.00 178.16 179.71 3f6j h SER 92 N 0.51 0.00 0.03 3.88 4.64 -1.93 -1.42 113.55 119.26 3f6j h SER 92 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3f6j h SER 92 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3f6j h SER 92 CO -0.06 0.00 -0.01 0.54 -0.87 0.00 0.00 176.83 176.43 3f6j n ARG 93 N -2.33 1.23 -1.84 4.77 5.12 -0.23 -4.95 116.66 118.43 3f6j n ARG 93 Ca 0.00 -0.41 -0.39 0.00 -1.93 0.00 0.00 57.85 55.13 3f6j n ARG 93 Cb 0.15 -1.49 0.02 0.00 -1.16 0.00 0.00 32.46 29.99 3f6j n ARG 93 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3f6j s GLY 94 N -2.05 2.90 -0.17 -0.13 0.00 -0.54 -4.45 107.32 102.88 3f6j s GLY 94 Ca 0.42 1.35 -0.05 0.00 0.00 0.00 0.00 44.72 46.45 3f6j s GLY 94 CO 0.37 1.91 -0.01 -1.59 0.00 0.00 0.00 173.10 173.78 3f6j s THR 95 N -1.27 4.13 0.17 0.90 2.01 0.54 -4.87 115.64 117.25 3f6j s THR 95 Ca 0.66 -0.27 -0.31 0.00 0.31 0.00 0.00 61.69 62.07 3f6j s THR 95 Cb -0.41 -2.83 -0.10 0.00 0.01 0.00 0.00 72.50 69.17 3f6j s THR 95 CO 0.50 0.47 1.55 0.00 -0.69 0.00 0.00 174.62 176.46 3f6j s ALA 96 N 0.46 3.76 0.01 7.40 0.00 -1.26 -1.54 121.76 130.59 3f6j s ALA 96 Ca -0.02 1.36 -0.19 0.00 0.00 0.00 0.00 51.96 53.12 3f6j s ALA 96 Cb -0.14 -3.62 -0.06 0.00 0.00 0.00 0.00 23.12 19.31 3f6j s ALA 96 CO 0.02 -0.77 0.54 -1.64 0.00 0.00 0.00 175.76 173.90 3f6j s MET 97 N 1.02 4.21 0.02 0.00 -1.94 0.16 -4.93 119.30 117.83 3f6j s MET 97 Ca 0.69 0.64 0.03 0.00 -1.71 0.00 0.00 55.69 55.34 3f6j s MET 97 Cb -0.43 -3.30 -0.01 0.00 2.01 0.00 0.00 34.83 33.09 3f6j s MET 97 CO 0.32 0.49 -0.09 -1.12 -0.01 0.00 0.00 175.02 174.61 3f6j s SER 98 N -0.56 1.07 0.39 3.03 0.01 -1.26 -2.25 113.70 114.13 3f6j s SER 98 Ca 0.28 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.22 3f6j s SER 98 Cb -0.18 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 65.98 3f6j s SER 98 CO 0.16 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.43 3f6j n GLY 99 N 2.29 -1.57 0.03 3.44 0.00 -1.26 -4.62 105.19 103.50 3f6j n GLY 99 Ca -0.17 -1.25 0.02 0.00 0.00 0.00 0.00 46.02 44.63 3f6j n GLY 99 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3f6j n ASN 100 N -0.60 1.94 -4.97 1.61 5.03 -1.26 -4.46 115.26 112.56 3f6j n ASN 100 Ca 0.00 -2.20 -0.21 0.00 0.87 0.00 0.00 54.58 53.04 3f6j n ASN 100 Cb 0.00 -0.10 -0.00 0.00 -1.02 0.00 0.00 39.78 38.65 3f6j n ASN 100 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3f6j s SER 101 N -1.39 6.02 0.27 6.41 0.01 -1.26 -4.66 113.70 119.09 3f6j s SER 101 Ca 0.07 0.10 -0.30 0.00 1.31 0.00 0.00 55.95 57.13 3f6j s SER 101 Cb 0.07 -1.53 -0.11 0.00 0.21 0.00 0.00 66.02 64.65 3f6j s SER 101 CO 0.01 -0.45 1.60 0.26 0.41 0.00 0.00 173.24 175.06 3f6j s TRP 102 N -2.30 2.82 -0.03 2.43 0.52 -1.26 -4.55 118.94 116.58 3f6j s TRP 102 Ca 0.44 0.72 0.03 0.00 0.02 0.00 0.00 56.10 57.31 3f6j s TRP 102 Cb -0.10 -4.05 0.00 0.00 -1.15 0.00 0.00 33.47 28.18 3f6j s TRP 102 CO 0.34 -3.62 -0.11 -2.00 0.02 0.00 0.00 176.95 171.58 3f6j s GLU 103 N -0.11 1.20 -0.13 4.98 2.12 0.08 -4.95 118.70 121.90 3f6j s GLU 103 Ca 0.65 -0.38 -0.29 0.00 0.36 0.00 0.00 54.97 55.31 3f6j s GLU 103 Cb -0.47 -1.09 -0.05 0.00 0.26 0.00 0.00 34.13 32.78 3f6j s GLU 103 CO 0.44 0.14 1.80 1.21 -0.54 0.00 0.00 175.26 178.31 3f6j s ASN 104 N 0.18 6.31 0.00 -1.70 3.84 -1.26 -0.77 114.94 121.54 3f6j s ASN 104 Ca -0.04 2.04 0.06 0.00 0.21 0.00 0.00 52.86 55.13 3f6j s ASN 104 Cb -0.10 -2.53 -0.02 0.00 -0.55 0.00 0.00 41.25 38.05 3f6j s ASN 104 CO 0.01 -1.25 0.41 1.33 -2.79 0.00 0.00 177.10 174.81 3f6j n VAL 105 N 6.23 0.00 -3.39 -5.21 0.24 -0.26 -4.92 118.33 111.02 3f6j n VAL 105 Ca 0.20 -0.41 -0.04 0.00 -2.04 0.00 0.00 64.34 62.05 3f6j n VAL 105 Cb 0.44 1.05 -0.06 0.00 -1.47 0.00 0.00 33.84 33.80 3f6j n VAL 105 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3f6j s PHE 106 N -1.20 -1.10 0.53 6.34 5.36 -1.01 -4.26 117.98 122.64 3f6j s PHE 106 Ca 0.04 1.40 0.20 0.00 -0.96 0.00 0.00 56.93 57.61 3f6j s PHE 106 Cb 0.05 0.33 1.34 0.00 -0.34 0.00 0.00 43.02 44.40 3f6j s PHE 106 CO 0.19 -0.71 2.10 0.66 -1.46 0.00 0.00 175.22 176.00 3f6j h SER 107 N 8.11 0.00 -5.00 6.13 4.64 -1.91 -1.65 113.55 123.87 3f6j h SER 107 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3f6j h SER 107 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3f6j h SER 107 CO 0.22 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.79 3f6j n GLY 108 N -1.56 2.34 3.55 -0.77 0.00 -1.26 -4.58 105.19 102.90 3f6j n GLY 108 Ca 0.01 -2.10 -0.10 0.00 0.00 0.00 0.00 46.02 43.83 3f6j n GLY 108 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3f6j s TRP 109 N -2.09 0.49 -0.14 1.61 1.48 -0.57 -4.93 118.94 114.79 3f6j s TRP 109 Ca 0.00 -0.84 0.01 0.00 -1.06 0.00 0.00 56.10 54.22 3f6j s TRP 109 Cb 0.00 0.11 0.02 0.00 -1.16 0.00 0.00 33.47 32.44 3f6j s TRP 109 CO 0.00 -0.99 -0.18 0.00 -4.06 0.00 0.00 176.95 171.73 3f6j s VAL 111 N 1.13 3.00 0.41 0.00 0.11 -0.66 -4.95 120.40 119.43 3f6j s VAL 111 Ca -0.02 0.50 -0.24 0.00 -2.93 0.00 0.00 61.98 59.30 3f6j s VAL 111 Cb -0.14 -3.05 -0.12 0.00 -1.53 0.00 0.00 36.38 31.54 3f6j s VAL 111 CO -0.06 -0.25 0.80 0.61 -3.33 0.00 0.00 175.10 172.86 3f6j n GLY 112 N -0.17 -0.81 0.36 6.54 0.00 -1.26 -2.78 105.19 107.07 3f6j n GLY 112 Ca 0.11 0.12 0.18 0.00 0.00 0.00 0.00 46.02 46.44 3f6j n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f6j h ALA 113 N 1.22 2.30 -0.08 4.61 0.00 -1.92 -1.34 119.26 124.05 3f6j h ALA 113 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3f6j h ALA 113 Cb 1.37 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3f6j h ALA 113 CO 0.55 -0.53 0.00 0.09 0.00 0.00 0.00 179.25 179.36 3f6j n ASN 114 N -4.24 2.01 -3.58 0.00 3.02 -1.26 -4.06 115.26 107.15 3f6j n ASN 114 Ca 0.07 -1.76 -0.22 0.00 -0.03 0.00 0.00 54.58 52.63 3f6j n ASN 114 Cb 0.51 -0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.56 3f6j n ASN 114 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3f6j n THR 115 N -0.07 0.00 -4.17 3.41 -2.24 -1.04 -4.88 114.28 105.29 3f6j n THR 115 Ca 0.03 -2.08 -0.13 0.00 -2.27 0.00 0.00 64.05 59.59 3f6j n THR 115 Cb 0.24 0.75 -0.11 0.00 -2.10 0.00 0.00 70.33 69.11 3f6j n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f6j s ALA 116 N -2.97 1.04 0.00 6.98 0.00 -1.26 -1.10 121.76 124.45 3f6j s ALA 116 Ca 0.18 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3f6j s ALA 116 Cb 0.01 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.19 3f6j s ALA 116 CO 0.13 -0.08 0.00 0.45 0.00 0.00 0.00 175.76 176.25 3f6j n SER 117 N 0.48 0.00 -4.19 0.00 2.88 0.04 -4.98 113.62 107.86 3f6j n SER 117 Ca -0.16 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.27 3f6j n SER 117 Cb 0.58 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.94 3f6j n SER 117 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3f6j s THR 118 N -2.52 0.49 -0.14 2.46 -4.23 -1.26 -1.31 115.64 109.13 3f6j s THR 118 Ca 0.00 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 3f6j s THR 118 Cb 0.00 -1.94 -0.01 0.00 1.34 0.00 0.00 72.50 71.90 3f6j s THR 118 CO 0.00 -0.62 -0.15 -1.58 -0.54 0.00 0.00 174.62 171.73 3f6j s GLN 119 N -3.93 3.25 0.10 3.99 2.00 0.81 -4.88 119.66 120.99 3f6j s GLN 119 Ca 0.19 -0.74 0.01 0.00 -2.00 0.00 0.00 55.36 52.82 3f6j s GLN 119 Cb 0.06 -2.60 0.01 0.00 0.80 0.00 0.00 33.01 31.28 3f6j s GLN 119 CO -0.00 0.08 0.06 0.41 -0.50 0.00 0.00 175.29 175.34 3f6j n GLY 120 N 3.88 3.27 3.79 2.59 0.00 -1.09 -1.20 105.19 116.43 3f6j n GLY 120 Ca -0.19 -2.21 -0.08 0.00 0.00 0.00 0.00 46.02 43.55 3f6j n GLY 120 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3f6j s LEU 121 N 0.00 -0.15 -0.04 0.99 0.05 0.17 -4.07 118.68 115.63 3f6j s LEU 121 Ca 0.04 -0.65 -0.07 0.00 0.05 0.00 0.00 54.13 53.50 3f6j s LEU 121 Cb -0.00 2.53 0.01 0.00 -2.05 0.00 0.00 46.19 46.68 3f6j s LEU 121 CO 0.03 -1.29 0.18 -0.94 -0.55 0.00 0.00 176.35 173.77 3f6j s SER 122 N -2.93 -0.11 -0.04 1.48 1.04 -0.08 -1.71 113.70 111.35 3f6j s SER 122 Ca 0.13 0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.73 3f6j s SER 122 Cb -0.05 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.39 3f6j s SER 122 CO 0.07 -0.20 -0.13 -0.69 0.98 0.00 0.00 173.24 173.27 3f6j s VAL 123 N -0.55 1.09 -0.04 5.02 1.01 0.24 -1.77 120.40 125.40 3f6j s VAL 123 Ca -0.06 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 3f6j s VAL 123 Cb -0.04 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.40 3f6j s VAL 123 CO 0.01 0.33 0.08 -0.60 0.00 0.00 0.00 175.10 174.92 3f6j s ARG 124 N 0.23 0.07 0.11 2.72 3.52 -0.23 -0.44 118.95 124.92 3f6j s ARG 124 Ca -0.05 0.18 0.04 0.00 -0.13 0.00 0.00 55.73 55.77 3f6j s ARG 124 Cb -0.11 -0.06 -0.04 0.00 -1.56 0.00 0.00 34.95 33.18 3f6j s ARG 124 CO 0.02 -0.08 -0.11 0.14 -0.81 0.00 0.00 175.30 174.46 3f6j s VAL 125 N 0.50 1.03 -0.07 7.11 -7.23 -0.66 -0.34 120.40 120.74 3f6j s VAL 125 Ca -0.04 -1.70 0.01 0.00 -1.81 0.00 0.00 61.98 58.45 3f6j s VAL 125 Cb -0.05 -1.44 0.02 0.00 0.56 0.00 0.00 36.38 35.47 3f6j s VAL 125 CO -0.02 -0.55 -0.07 0.42 -0.31 0.00 0.00 175.10 174.56 3f6j s THR 126 N -2.48 0.82 0.52 5.32 -4.23 -0.13 -4.51 115.64 110.95 3f6j s THR 126 Ca 0.07 -0.26 -0.21 0.00 -1.18 0.00 0.00 61.69 60.11 3f6j s THR 126 Cb -0.03 -0.82 -0.06 0.00 1.34 0.00 0.00 72.50 72.94 3f6j s THR 126 CO 0.01 0.30 1.19 -2.84 -0.54 0.00 0.00 174.62 172.74 3f6j s PRO 127 N 1.07 3.42 -0.07 3.99 0.02 -1.26 -1.15 135.00 141.01 3f6j s PRO 127 Ca -0.08 1.81 0.01 0.00 0.02 0.00 0.00 61.00 62.76 3f6j s PRO 127 Cb -0.14 -2.19 0.02 0.00 0.02 0.00 0.00 34.50 32.20 3f6j s PRO 127 CO -0.01 -0.84 -0.08 0.08 -0.33 0.00 0.00 177.00 175.82 3f6j s VAL 128 N -1.58 0.91 -0.22 3.83 1.01 0.31 -1.69 120.40 122.96 3f6j s VAL 128 Ca 0.70 -0.31 -0.29 0.00 0.00 0.00 0.00 61.98 62.08 3f6j s VAL 128 Cb -0.29 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.21 3f6j s VAL 128 CO 0.34 0.32 1.05 -0.63 0.00 0.00 0.00 175.10 176.17 3f6j s ILE 129 N 1.04 4.67 -0.16 2.22 -1.09 0.22 -0.35 121.20 127.75 3f6j s ILE 129 Ca -0.08 2.02 0.04 0.00 -2.23 0.00 0.00 60.65 60.39 3f6j s ILE 129 Cb -0.14 -4.30 -0.23 0.00 -1.58 0.00 0.00 42.46 36.21 3f6j s ILE 129 CO -0.00 -0.17 0.20 0.18 -1.23 0.00 0.00 174.94 173.91 3f6j n LEU 130 N 6.29 1.95 -3.68 2.97 4.77 0.19 -1.61 117.00 127.88 3f6j n LEU 130 Ca 0.12 0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 56.08 3f6j n LEU 130 Cb 0.46 -0.54 -0.09 0.00 -2.33 0.00 0.00 43.42 40.93 3f6j n LEU 130 CO 0.52 0.73 0.24 -0.54 -1.33 0.00 0.00 177.39 177.01 3f6j s LYS 131 N -2.54 0.65 0.03 3.23 1.02 -1.17 -4.81 119.74 116.15 3f6j s LYS 131 Ca -0.21 0.78 -0.10 0.00 0.02 0.00 0.00 55.97 56.47 3f6j s LYS 131 Cb 0.07 0.31 -0.05 0.00 -0.52 0.00 0.00 37.83 37.64 3f6j s LYS 131 CO 0.74 -0.08 0.35 1.03 -0.92 0.00 0.00 175.35 176.47 3f6j s ARG 132 N 0.33 3.72 0.00 1.68 0.52 -1.26 -4.51 118.95 119.43 3f6j s ARG 132 Ca -0.00 0.14 0.00 0.00 -0.52 0.00 0.00 55.73 55.34 3f6j s ARG 132 Cb -0.04 -3.08 0.00 0.00 0.52 0.00 0.00 34.95 32.35 3f6j s ARG 132 CO 0.00 0.63 0.00 0.27 0.02 0.00 0.00 175.30 176.22 3f6j n ASN 133 N 1.23 0.00 -2.83 0.23 6.94 -1.26 -5.12 115.26 114.45 3f6j n ASN 133 Ca -0.11 0.00 -0.11 0.00 -0.02 0.00 0.00 54.58 54.34 3f6j n ASN 133 Cb 0.53 -0.33 0.03 0.00 -2.36 0.00 0.00 39.78 37.65 3f6j n ASN 133 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3f6j n ALA 136 N -2.17 2.25 -3.66 -2.53 0.00 -1.26 -5.25 120.51 107.89 3f6j n ALA 136 Ca 0.00 -2.77 -0.11 0.00 0.00 0.00 0.00 53.44 50.56 3f6j n ALA 136 Cb 0.00 -0.97 -0.11 0.00 0.00 0.00 0.00 19.45 18.37 3f6j n ALA 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3f6j s ARG 137 N -2.08 0.23 -0.12 0.00 3.52 -1.26 -1.50 118.95 117.75 3f6j s ARG 137 Ca 0.30 0.88 0.01 0.00 -0.13 0.00 0.00 55.73 56.78 3f6j s ARG 137 Cb 0.40 0.13 0.02 0.00 -1.56 0.00 0.00 34.95 33.94 3f6j s ARG 137 CO -0.02 -0.27 -0.13 0.71 -0.81 0.00 0.00 175.30 174.78 3f6j s TYR 138 N 2.48 1.89 -0.01 5.12 2.02 -0.18 -4.97 117.35 123.70 3f6j s TYR 138 Ca -0.00 -0.94 0.02 0.00 -0.37 0.00 0.00 57.07 55.78 3f6j s TYR 138 Cb -0.12 -1.41 -0.03 0.00 -0.40 0.00 0.00 41.96 40.00 3f6j s TYR 138 CO -0.10 -0.53 -0.05 -1.12 -1.57 0.00 0.00 175.55 172.18 3f6j s SER 139 N 1.25 4.73 -0.00 2.29 0.01 -1.26 -0.13 113.70 120.59 3f6j s SER 139 Ca -0.01 -0.10 0.05 0.00 1.31 0.00 0.00 55.95 57.19 3f6j s SER 139 Cb -0.14 -1.14 -0.01 0.00 0.21 0.00 0.00 66.02 64.93 3f6j s SER 139 CO -0.05 0.29 -0.14 0.68 0.41 0.00 0.00 173.24 174.43 3f6j s VAL 140 N -0.99 1.14 0.66 3.43 -7.23 -0.20 -5.01 120.40 112.19 3f6j s VAL 140 Ca 0.17 -0.68 -0.01 0.00 -1.81 0.00 0.00 61.98 59.64 3f6j s VAL 140 Cb -0.11 -0.96 0.08 0.00 0.56 0.00 0.00 36.38 35.95 3f6j s VAL 140 CO 0.07 0.27 0.92 -1.10 -0.31 0.00 0.00 175.10 174.95 3f6j s GLN 141 N -0.47 2.09 0.24 4.82 -1.52 -1.26 -2.12 119.66 121.43 3f6j s GLN 141 Ca 0.05 -0.81 -0.31 0.00 -1.95 0.00 0.00 55.36 52.34 3f6j s GLN 141 Cb -0.06 -2.35 -0.12 0.00 -0.22 0.00 0.00 33.01 30.26 3f6j s GLN 141 CO -0.00 -1.14 1.68 1.17 -0.25 0.00 0.00 175.29 176.74 3f6j n LYS 142 N -2.68 2.76 -3.71 2.91 4.81 -1.26 -4.52 118.16 116.46 3f6j n LYS 142 Ca 0.11 0.99 -0.12 0.00 -0.87 0.00 0.00 58.31 58.42 3f6j n LYS 142 Cb 0.60 -2.82 -0.12 0.00 0.02 0.00 0.00 35.03 32.72 3f6j n LYS 142 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3f6j s THR 143 N 0.75 -0.05 0.24 3.15 2.01 -0.81 -4.97 115.64 115.96 3f6j s THR 143 Ca 0.71 0.13 -0.31 0.00 0.31 0.00 0.00 61.69 62.53 3f6j s THR 143 Cb -0.50 -0.48 -0.12 0.00 0.01 0.00 0.00 72.50 71.41 3f6j s THR 143 CO 0.38 0.05 1.64 -0.24 -0.69 0.00 0.00 174.62 175.77 3f6j n SER 144 N 4.28 3.81 -0.13 3.53 2.88 -1.26 0.37 113.62 127.10 3f6j n SER 144 Ca -0.24 1.10 -0.28 0.00 -1.33 0.00 0.00 58.87 58.13 3f6j n SER 144 Cb 0.54 -1.57 -0.10 0.00 -0.75 0.00 0.00 64.21 62.33 3f6j n SER 144 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3f6j n ILE 145 N 3.01 1.53 -0.29 2.46 5.41 0.14 -4.73 119.36 126.90 3f6j n ILE 145 Ca 0.13 -0.30 0.00 0.00 1.00 0.00 0.00 62.75 63.57 3f6j n ILE 145 Cb 0.35 -1.92 0.00 0.00 -0.71 0.00 0.00 39.64 37.36 3f6j n ILE 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3f6j n GLY 146 N 1.29 -0.51 3.50 7.39 0.00 -1.16 -1.00 105.19 114.69 3f6j n GLY 146 Ca -0.50 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.66 3f6j n GLY 146 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f6j s SER 147 N -4.00 -0.16 -0.00 1.61 1.04 -0.45 -1.02 113.70 110.72 3f6j s SER 147 Ca 0.00 -0.65 0.03 0.00 0.48 0.00 0.00 55.95 55.81 3f6j s SER 147 Cb 0.00 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 3f6j s SER 147 CO 0.00 -1.04 -0.11 -0.63 0.98 0.00 0.00 173.24 172.44 3f6j s ILE 148 N -3.92 0.87 0.02 -1.02 1.01 -0.28 -1.27 121.20 116.61 3f6j s ILE 148 Ca 0.13 -0.51 0.06 0.00 0.00 0.00 0.00 60.65 60.33 3f6j s ILE 148 Cb -0.00 -0.73 -0.02 0.00 0.01 0.00 0.00 42.46 41.72 3f6j s ILE 148 CO 0.00 0.22 -0.17 0.00 0.00 0.00 0.00 174.94 174.99 3f6j s ARG 149 N -0.34 1.24 0.44 2.79 1.70 0.25 -1.18 118.95 123.86 3f6j s ARG 149 Ca 0.04 -0.73 -0.24 0.00 -0.47 0.00 0.00 55.73 54.33 3f6j s ARG 149 Cb -0.05 -1.26 -0.08 0.00 -0.57 0.00 0.00 34.95 33.00 3f6j s ARG 149 CO -0.00 0.33 1.19 0.00 -1.08 0.00 0.00 175.30 175.73 3f6j s MET 150 N -0.81 3.83 -0.40 3.89 0.23 -0.08 -1.23 119.30 124.73 3f6j s MET 150 Ca 0.05 1.85 0.02 0.00 -1.03 0.00 0.00 55.69 56.59 3f6j s MET 150 Cb -0.07 -2.51 0.11 0.00 -1.53 0.00 0.00 34.83 30.83 3f6j s MET 150 CO 0.01 -0.51 0.15 0.50 -2.03 0.00 0.00 175.02 173.14 3f6j s ARG 151 N -2.55 1.36 0.78 3.16 3.52 -0.05 -4.82 118.95 120.35 3f6j s ARG 151 Ca 0.61 -1.88 -0.13 0.00 -0.13 0.00 0.00 55.73 54.20 3f6j s ARG 151 Cb -0.31 -2.74 0.07 0.00 -1.56 0.00 0.00 34.95 30.41 3f6j s ARG 151 CO 0.38 -1.04 1.17 -2.14 -0.81 0.00 0.00 175.30 172.85 3f6j s PRO 152 N 0.68 1.88 0.17 5.12 0.02 -1.26 -0.75 135.00 140.86 3f6j s PRO 152 Ca 0.14 1.59 -0.01 0.00 0.02 0.00 0.00 61.00 62.74 3f6j s PRO 152 Cb -0.21 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.49 3f6j s PRO 152 CO -0.08 -2.00 0.24 2.48 -0.33 0.00 0.00 177.00 177.30 3f6j n TYR 153 N -3.25 -0.90 -2.05 6.54 0.18 -0.46 -4.86 117.16 112.36 3f6j n TYR 153 Ca 0.12 -1.19 -0.20 0.00 1.88 0.00 0.00 57.90 58.51 3f6j n TYR 153 Cb 0.51 0.27 -0.04 0.00 -0.38 0.00 0.00 39.34 39.70 3f6j n TYR 153 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 3f6j n ASN 154 N -1.92 -5.45 0.00 9.48 5.15 -1.26 -1.21 115.26 120.05 3f6j n ASN 154 Ca 0.01 0.21 0.00 0.00 -0.60 0.00 0.00 54.58 54.20 3f6j n ASN 154 Cb 0.29 -4.66 0.00 0.00 -0.53 0.00 0.00 39.78 34.88 3f6j n ASN 154 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3f6j n GLY 155 N -0.72 1.40 3.68 8.20 0.00 -1.26 -5.00 105.19 111.48 3f6j n GLY 155 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 3f6j n GLY 155 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3f6j n SER 156 N 0.00 1.90 -4.20 1.61 7.64 -0.35 -5.02 113.62 115.20 3f6j n SER 156 Ca 0.00 0.96 -0.28 0.00 1.01 0.00 0.00 58.87 60.56 3f6j n SER 156 Cb 0.00 -1.48 -0.16 0.00 -1.01 0.00 0.00 64.21 61.56 3f6j n SER 156 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3f6j s SER 157 N -0.91 2.48 0.41 6.43 0.15 -1.26 -4.47 113.70 116.53 3f6j s SER 157 Ca 0.70 -0.40 0.29 0.00 0.70 0.00 0.00 55.95 57.24 3f6j s SER 157 Cb -0.45 -0.53 1.24 0.00 -1.71 0.00 0.00 66.02 64.56 3f6j s SER 157 CO 0.51 0.21 1.87 0.00 1.20 0.00 0.00 173.24 177.03 3f6j h ALA 158 N 5.97 1.00 -0.76 5.45 0.00 -1.95 -3.46 119.26 125.51 3f6j h ALA 158 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3f6j h ALA 158 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3f6j h ALA 158 CO 0.48 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.14 3f6j n GLY 159 N -0.11 3.45 0.80 0.00 0.00 -1.26 -0.80 105.19 107.28 3f6j n GLY 159 Ca 0.01 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.09 3f6j n GLY 159 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3f6j n SER 160 N 4.59 3.70 -4.77 1.61 3.41 -1.26 -5.02 113.62 115.88 3f6j n SER 160 Ca 0.00 -2.99 -0.40 0.00 -0.26 0.00 0.00 58.87 55.22 3f6j n SER 160 Cb 0.00 -0.52 0.02 0.00 -0.26 0.00 0.00 64.21 63.44 3f6j n SER 160 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3f6j s VAL 161 N -2.78 2.15 0.06 -3.33 1.01 0.02 -4.90 120.40 112.64 3f6j s VAL 161 Ca 0.41 0.13 -0.31 0.00 0.00 0.00 0.00 61.98 62.21 3f6j s VAL 161 Cb 0.33 -3.07 -0.08 0.00 0.00 0.00 0.00 36.38 33.55 3f6j s VAL 161 CO 0.08 0.02 1.70 -1.58 0.00 0.00 0.00 175.10 175.32 3f6j s GLN 162 N -2.46 4.18 0.07 2.72 0.74 -1.26 -4.89 119.66 118.76 3f6j s GLN 162 Ca 0.61 2.37 0.22 0.00 0.05 0.00 0.00 55.36 58.61 3f6j s GLN 162 Cb -0.43 -3.68 -0.18 0.00 1.10 0.00 0.00 33.01 29.82 3f6j s GLN 162 CO 0.55 -0.77 0.73 0.25 -0.55 0.00 0.00 175.29 175.49 3f6j n THR 163 N 4.87 0.38 -4.89 -0.34 -2.24 -1.26 -4.79 114.28 106.00 3f6j n THR 163 Ca 0.16 -0.54 -0.26 0.00 -2.27 0.00 0.00 64.05 61.14 3f6j n THR 163 Cb 0.41 -0.20 -0.16 0.00 -2.10 0.00 0.00 70.33 68.28 3f6j n THR 163 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3f6j s THR 164 N -3.39 1.50 0.13 4.28 2.01 -1.26 -0.90 115.64 118.01 3f6j s THR 164 Ca -0.05 -0.77 0.07 0.00 0.31 0.00 0.00 61.69 61.25 3f6j s THR 164 Cb 0.12 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 3f6j s THR 164 CO 0.85 0.43 -0.16 0.68 -0.69 0.00 0.00 174.62 175.73 3f6j s VAL 165 N -0.10 1.54 0.20 3.82 -7.23 -0.32 -4.91 120.40 113.39 3f6j s VAL 165 Ca -0.01 -1.74 0.09 0.00 -1.81 0.00 0.00 61.98 58.51 3f6j s VAL 165 Cb -0.11 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 3f6j s VAL 165 CO 0.02 -0.33 -0.10 0.20 -0.31 0.00 0.00 175.10 174.58 3f6j s ASN 166 N -2.42 4.21 -0.02 4.85 0.01 0.84 -1.13 114.94 121.29 3f6j s ASN 166 Ca 0.10 -0.62 0.03 0.00 -0.71 0.00 0.00 52.86 51.66 3f6j s ASN 166 Cb -0.06 -0.69 -0.00 0.00 0.41 0.00 0.00 41.25 40.90 3f6j s ASN 166 CO 0.04 0.09 -0.11 -0.36 -1.51 0.00 0.00 177.10 175.26 3f6j s PHE 167 N -1.82 1.02 -0.07 2.20 0.08 -0.19 -1.82 117.98 117.39 3f6j s PHE 167 Ca 0.26 -0.22 0.04 0.00 0.12 0.00 0.00 56.93 57.12 3f6j s PHE 167 Cb -0.08 -0.69 -0.00 0.00 -0.57 0.00 0.00 43.02 41.68 3f6j s PHE 167 CO 0.15 -0.06 -0.20 0.45 -0.10 0.00 0.00 175.22 175.47 3f6j s SER 168 N -0.07 2.53 -0.11 1.36 0.15 -0.06 -0.68 113.70 116.82 3f6j s SER 168 Ca 0.01 -0.43 -0.30 0.00 0.70 0.00 0.00 55.95 55.93 3f6j s SER 168 Cb -0.06 -0.92 -0.03 0.00 -1.71 0.00 0.00 66.02 63.30 3f6j s SER 168 CO 0.00 0.15 1.40 -0.22 1.20 0.00 0.00 173.24 175.77 3f6j s LEU 169 N 0.20 4.24 0.63 3.45 2.96 0.16 -0.17 118.68 130.15 3f6j s LEU 169 Ca -0.10 1.91 -0.17 0.00 -0.22 0.00 0.00 54.13 55.55 3f6j s LEU 169 Cb -0.15 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.99 3f6j s LEU 169 CO 0.05 -0.80 1.16 0.20 -1.32 0.00 0.00 176.35 175.64 3f6j s ASN 170 N 2.38 5.05 0.46 3.68 0.01 -0.58 -1.93 114.94 124.00 3f6j s ASN 170 Ca 0.62 2.22 -0.24 0.00 -0.71 0.00 0.00 52.86 54.75 3f6j s ASN 170 Cb -0.27 -2.58 -0.07 0.00 0.41 0.00 0.00 41.25 38.74 3f6j s ASN 170 CO 0.21 -1.68 1.27 -2.16 -1.51 0.00 0.00 177.10 173.22 3f6j s PRO 171 N -3.69 3.68 0.16 -0.60 0.04 -1.26 -4.72 135.00 128.61 3f6j s PRO 171 Ca 0.73 2.04 -0.06 0.00 0.04 0.00 0.00 61.00 63.75 3f6j s PRO 171 Cb -0.26 -2.50 -0.02 0.00 0.04 0.00 0.00 34.50 31.76 3f6j s PRO 171 CO 0.37 -0.69 0.20 -0.59 0.04 0.00 0.00 177.00 176.33 3f6j s PHE 172 N -1.37 0.63 -0.04 0.56 -0.12 -0.90 -0.57 117.98 116.17 3f6j s PHE 172 Ca 0.63 -0.99 0.03 0.00 -0.05 0.00 0.00 56.93 56.55 3f6j s PHE 172 Cb -0.35 -0.24 0.00 0.00 -0.63 0.00 0.00 43.02 41.80 3f6j s PHE 172 CO 0.43 -0.66 -0.13 0.99 -0.05 0.00 0.00 175.22 175.81 3f6j s THR 173 N -4.02 1.09 -0.18 -4.49 2.01 -0.13 -1.03 115.64 108.89 3f6j s THR 173 Ca 0.22 -0.51 -0.06 0.00 0.31 0.00 0.00 61.69 61.64 3f6j s THR 173 Cb 0.05 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 3f6j s THR 173 CO 0.02 0.33 0.04 -0.76 -0.69 0.00 0.00 174.62 173.56 3f6j s LEU 174 N 0.26 3.63 -0.21 4.42 1.43 0.81 -1.07 118.68 127.95 3f6j s LEU 174 Ca -0.06 -0.00 -0.07 0.00 -1.03 0.00 0.00 54.13 52.96 3f6j s LEU 174 Cb -0.11 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 3f6j s LEU 174 CO 0.02 0.15 0.06 0.20 0.23 0.00 0.00 176.35 177.01 3f6j s ASN 175 N 0.48 5.42 0.00 2.29 -0.87 0.11 -1.02 114.94 121.35 3f6j s ASN 175 Ca 0.01 -0.03 0.04 0.00 -1.57 0.00 0.00 52.86 51.32 3f6j s ASN 175 Cb -0.13 -1.94 0.04 0.00 -0.02 0.00 0.00 41.25 39.19 3f6j s ASN 175 CO 0.01 0.10 0.64 -0.67 -2.57 0.00 0.00 177.10 174.61