#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3k s ALA 2 N 0.00 3.71 -0.29 3.17 0.00 -1.26 -5.11 121.76 121.98 1t3k s ALA 2 Ca 0.00 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.59 1t3k s ALA 2 Cb 0.00 -2.15 0.20 0.00 0.00 0.00 0.00 23.12 21.17 1t3k s ALA 2 CO 0.00 -1.05 0.73 0.00 0.00 0.00 0.00 175.76 175.43 1t3k s MET 3 N -4.96 0.43 -0.66 0.00 0.00 -1.26 -5.11 119.30 107.75 1t3k s MET 3 Ca 0.60 0.44 -0.12 0.00 0.00 0.00 0.00 55.69 56.61 1t3k s MET 3 Cb -0.09 0.20 0.17 0.00 0.00 0.00 0.00 34.83 35.11 1t3k s MET 3 CO 0.41 -0.81 0.58 0.00 0.00 0.00 0.00 175.02 175.20 1t3k s ALA 4 N 2.87 3.78 0.40 3.16 0.00 -1.26 -5.04 121.76 125.68 1t3k s ALA 4 Ca 0.15 -2.97 0.03 0.00 0.00 0.00 0.00 51.96 49.18 1t3k s ALA 4 Cb -0.08 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1t3k s ALA 4 CO -0.25 -2.12 0.10 1.03 0.00 0.00 0.00 175.76 174.52 1t3k s ARG 5 N 0.73 1.91 0.50 0.00 0.52 -1.26 -5.14 118.95 116.21 1t3k s ARG 5 Ca 0.12 -2.15 -0.19 0.00 -0.52 0.00 0.00 55.73 52.98 1t3k s ARG 5 Cb -0.20 -0.77 -0.08 0.00 0.52 0.00 0.00 34.95 34.43 1t3k s ARG 5 CO -0.04 -0.41 1.04 -1.12 0.02 0.00 0.00 175.30 174.79 1t3k s SER 6 N -3.62 6.27 -1.48 0.23 0.01 -1.26 -3.65 113.70 110.20 1t3k s SER 6 Ca 0.24 1.89 -0.11 0.00 1.31 0.00 0.00 55.95 59.29 1t3k s SER 6 Cb 0.04 -2.55 0.06 0.00 0.21 0.00 0.00 66.02 63.78 1t3k s SER 6 CO 0.13 -0.83 0.93 -0.38 0.41 0.00 0.00 173.24 173.51 1t3k n ILE 7 N -1.17 -2.61 -3.72 1.44 -0.00 0.32 -4.96 119.36 108.67 1t3k n ILE 7 Ca 0.09 -0.12 -0.37 0.00 -0.00 0.00 0.00 62.75 62.35 1t3k n ILE 7 Cb 0.53 -3.10 -0.06 0.00 -0.00 0.00 0.00 39.64 37.01 1t3k n ILE 7 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 1t3k s SER 8 N -3.54 6.57 0.39 4.38 1.04 -0.94 -4.56 113.70 117.04 1t3k s SER 8 Ca 0.51 0.68 -0.10 0.00 0.48 0.00 0.00 55.95 57.52 1t3k s SER 8 Cb -0.26 -2.15 -0.06 0.00 0.10 0.00 0.00 66.02 63.65 1t3k s SER 8 CO 0.82 0.37 0.75 -0.72 0.98 0.00 0.00 173.24 175.45 1t3k s TYR 9 N -1.05 3.47 0.00 5.02 -0.85 -1.25 -0.81 117.35 121.88 1t3k s TYR 9 Ca 0.19 1.02 0.02 0.00 -0.52 0.00 0.00 57.07 57.78 1t3k s TYR 9 Cb -0.14 -2.42 -0.01 0.00 0.38 0.00 0.00 41.96 39.77 1t3k s TYR 9 CO 0.08 -0.08 -0.06 -1.50 -1.52 0.00 0.00 175.55 172.47 1t3k s ILE 10 N -2.34 0.44 0.59 -3.49 1.10 -0.20 -4.82 121.20 112.49 1t3k s ILE 10 Ca 0.51 -0.35 -0.04 0.00 -0.51 0.00 0.00 60.65 60.26 1t3k s ILE 10 Cb -0.10 -0.40 0.02 0.00 0.15 0.00 0.00 42.46 42.13 1t3k s ILE 10 CO 0.31 0.05 0.88 -0.89 -2.11 0.00 0.00 174.94 173.18 1t3k s THR 11 N -0.30 3.34 0.00 4.00 2.01 -1.26 -4.23 115.64 119.21 1t3k s THR 11 Ca 0.00 -0.18 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 1t3k s THR 11 Cb -0.03 -3.33 -0.00 0.00 0.01 0.00 0.00 72.50 69.15 1t3k s THR 11 CO -0.00 -0.31 0.66 -1.20 -0.69 0.00 0.00 174.62 173.08 1t3k n SER 12 N -2.56 -0.02 -0.15 3.53 7.64 -1.26 0.29 113.62 121.08 1t3k n SER 12 Ca 0.05 0.67 -0.00 0.00 1.01 0.00 0.00 58.87 60.60 1t3k n SER 12 Cb 0.58 -0.32 0.25 0.00 -1.01 0.00 0.00 64.21 63.71 1t3k n SER 12 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1t3k h THR 13 N 0.00 1.20 0.00 0.44 1.35 -2.02 0.54 112.91 114.41 1t3k h THR 13 Ca 0.00 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1t3k h THR 13 Cb 0.01 0.37 0.00 0.00 -1.73 0.00 0.00 68.15 66.80 1t3k h THR 13 CO -0.02 0.22 0.10 1.56 -0.25 0.00 0.00 175.52 177.13 1t3k h GLN 14 N 0.87 0.00 0.00 4.72 1.08 -0.52 0.90 115.11 122.17 1t3k h GLN 14 Ca 0.22 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.28 1t3k h GLN 14 Cb 0.05 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 1t3k h GLN 14 CO -0.03 0.00 -0.66 1.25 -0.95 0.00 0.00 178.83 178.44 1t3k h LEU 15 N 0.00 0.00 0.34 1.46 5.85 0.14 -3.27 115.31 119.83 1t3k h LEU 15 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1t3k h LEU 15 Cb 0.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1t3k h LEU 15 CO 0.00 0.66 -0.17 0.25 -0.34 0.00 0.00 178.44 178.84 1t3k h LEU 16 N 0.00 -0.41 -0.88 2.25 7.12 0.78 -1.66 115.31 122.51 1t3k h LEU 16 Ca -0.01 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.02 1t3k h LEU 16 Cb 1.26 0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.50 1t3k h LEU 16 CO 0.09 -0.28 0.00 -2.65 -0.13 0.00 0.00 178.44 175.46 1t3k n PRO 17 N -5.29 0.10 -0.29 5.25 -0.02 -1.24 -2.39 135.00 131.11 1t3k n PRO 17 Ca -0.10 0.55 -0.05 0.00 -2.02 0.00 0.00 63.50 61.88 1t3k n PRO 17 Cb 0.21 -1.80 0.04 0.00 -0.02 0.00 0.00 33.50 31.92 1t3k n PRO 17 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1t3k n LEU 18 N -2.01 3.96 -2.40 2.45 7.94 -0.62 -4.30 117.00 122.01 1t3k n LEU 18 Ca -0.00 -2.02 -0.34 0.00 -1.11 0.00 0.00 56.01 52.55 1t3k n LEU 18 Cb 0.06 -0.61 0.06 0.00 0.53 0.00 0.00 43.42 43.46 1t3k n LEU 18 CO 0.09 0.66 1.45 1.41 -1.11 0.00 0.00 177.39 179.89 1t3k n HIS 19 N 0.22 2.94 1.43 1.96 8.25 -1.01 -4.61 115.22 124.39 1t3k n HIS 19 Ca 0.13 -2.74 0.06 0.00 -0.26 0.00 0.00 57.72 54.90 1t3k n HIS 19 Cb 0.73 -1.35 0.36 0.00 1.12 0.00 0.00 29.99 30.85 1t3k n HIS 19 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1t3k n ARG 20 N -0.64 0.71 0.00 -0.41 1.74 -1.26 -4.87 116.66 111.93 1t3k n ARG 20 Ca 0.57 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.65 1t3k n ARG 20 Cb 0.57 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.74 1t3k n ARG 20 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1t3k n ARG 21 N -0.77 0.00 -0.82 5.56 3.00 -1.26 -4.97 116.66 117.40 1t3k n ARG 21 Ca 0.09 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.58 1t3k n ARG 21 Cb 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.38 1t3k n ARG 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1t3k n PRO 22 N -1.33 0.06 -0.87 -0.14 -0.04 -1.26 -4.33 135.00 127.08 1t3k n PRO 22 Ca 0.00 -1.22 0.05 0.00 -0.04 0.00 0.00 63.50 62.29 1t3k n PRO 22 Cb 0.00 -2.92 0.10 0.00 -0.04 0.00 0.00 33.50 30.65 1t3k n PRO 22 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1t3k n ASN 23 N 12.09 1.31 -4.87 3.54 0.23 -1.26 -4.98 115.26 121.31 1t3k n ASN 23 Ca 0.45 -2.85 -0.36 0.00 -0.53 0.00 0.00 54.58 51.30 1t3k n ASN 23 Cb 0.43 -0.39 -0.06 0.00 -2.08 0.00 0.00 39.78 37.68 1t3k n ASN 23 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 1t3k s ILE 24 N -1.57 5.38 -0.26 1.53 2.07 -1.26 0.43 121.20 127.53 1t3k s ILE 24 Ca 0.31 0.06 -0.12 0.00 -1.41 0.00 0.00 60.65 59.49 1t3k s ILE 24 Cb 0.32 -3.39 0.09 0.00 0.13 0.00 0.00 42.46 39.61 1t3k s ILE 24 CO -0.09 0.53 0.60 0.00 -1.91 0.00 0.00 174.94 174.07 1t3k s ALA 25 N -1.11 -1.70 -0.25 1.50 0.00 0.05 -4.90 121.76 115.36 1t3k s ALA 25 Ca 0.19 2.13 -0.23 0.00 0.00 0.00 0.00 51.96 54.05 1t3k s ALA 25 Cb -0.12 -1.44 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 1t3k s ALA 25 CO 0.08 -0.58 0.74 -1.50 0.00 0.00 0.00 175.76 174.50 1t3k s ILE 26 N 2.11 4.91 -0.02 0.00 -1.16 -1.26 -1.78 121.20 123.99 1t3k s ILE 26 Ca -0.08 1.37 -0.10 0.00 -0.51 0.00 0.00 60.65 61.33 1t3k s ILE 26 Cb -0.09 -4.03 -0.05 0.00 0.61 0.00 0.00 42.46 38.90 1t3k s ILE 26 CO -0.18 -0.02 0.31 0.27 -2.81 0.00 0.00 174.94 172.51 1t3k s ILE 27 N 2.66 5.22 -0.09 2.00 -0.00 0.98 -1.99 121.20 129.98 1t3k s ILE 27 Ca 0.31 0.49 -0.02 0.00 -0.00 0.00 0.00 60.65 61.42 1t3k s ILE 27 Cb -0.15 -3.59 0.04 0.00 -0.00 0.00 0.00 42.46 38.75 1t3k s ILE 27 CO 0.08 0.51 0.04 -1.81 -0.00 0.00 0.00 174.94 173.76 1t3k s ASP 28 N -1.27 1.72 -0.06 4.36 1.11 0.04 -1.93 116.67 120.64 1t3k s ASP 28 Ca 0.23 -0.21 0.00 0.00 0.18 0.00 0.00 52.55 52.76 1t3k s ASP 28 Cb -0.14 -0.33 0.02 0.00 1.07 0.00 0.00 42.92 43.54 1t3k s ASP 28 CO 0.12 -0.25 -0.05 0.68 1.18 0.00 0.00 175.17 176.85 1t3k s VAL 29 N 2.05 0.64 0.00 -1.27 -7.23 -1.24 -0.45 120.40 112.90 1t3k s VAL 29 Ca 0.04 -0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.08 1t3k s VAL 29 Cb -0.13 -0.69 0.00 0.00 0.56 0.00 0.00 36.38 36.12 1t3k s VAL 29 CO -0.05 0.27 0.00 -1.14 -0.31 0.00 0.00 175.10 173.87 1t3k n ARG 30 N 4.45 0.00 -0.70 4.82 3.00 -0.98 -4.79 116.66 122.47 1t3k n ARG 30 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 1t3k n ARG 30 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.97 1t3k n ARG 30 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1t3k n ASP 31 N 0.00 0.00 -0.13 6.15 2.03 -1.25 -2.79 116.55 120.56 1t3k n ASP 31 Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 1t3k n ASP 31 Cb 0.00 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.42 1t3k n ASP 31 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1t3k h GLU 32 N 0.00 -0.02 -0.61 -0.67 4.11 -1.96 1.69 114.58 117.11 1t3k h GLU 32 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.52 1t3k h GLU 32 Cb 0.00 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.19 1t3k h GLU 32 CO 0.00 -0.02 0.25 0.93 0.07 0.00 0.00 179.01 180.24 1t3k h GLU 33 N -0.02 0.43 0.00 1.06 4.39 -1.95 0.92 114.58 119.41 1t3k h GLU 33 Ca 0.21 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1t3k h GLU 33 Cb 0.34 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1t3k h GLU 33 CO -0.46 0.28 -0.28 0.54 -1.16 0.00 0.00 179.01 177.94 1t3k n ARG 34 N -4.97 0.13 0.12 2.33 3.00 -0.64 -2.92 116.66 113.71 1t3k n ARG 34 Ca 0.09 0.07 -0.20 0.00 -0.01 0.00 0.00 57.85 57.79 1t3k n ARG 34 Cb 0.26 -1.61 -0.14 0.00 0.00 0.00 0.00 32.46 30.97 1t3k n ARG 34 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 1t3k h ASN 35 N 0.00 0.68 0.13 0.55 -1.24 0.48 0.08 115.58 116.25 1t3k h ASN 35 Ca 0.00 -0.69 -0.26 0.00 0.71 0.00 0.00 56.30 56.06 1t3k h ASN 35 Cb 0.61 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.45 1t3k h ASN 35 CO 0.00 1.53 -1.26 0.10 -1.29 0.00 0.00 177.43 176.51 1t3k h TYR 36 N 0.15 0.49 -6.73 0.67 -0.00 -1.10 -3.33 116.97 107.12 1t3k h TYR 36 Ca -0.19 -0.36 -0.55 0.00 -0.00 0.00 0.00 58.73 57.64 1t3k h TYR 36 Cb 2.00 -0.02 -0.30 0.00 -0.00 0.00 0.00 36.73 38.41 1t3k h TYR 36 CO 0.10 1.49 -0.81 -3.47 -0.00 0.00 0.00 178.16 175.47 1t3k n ASP 37 N -3.97 -0.97 -1.41 0.10 -0.08 -1.15 -3.55 116.55 105.52 1t3k n ASP 37 Ca -0.22 -1.10 0.00 0.00 -1.51 0.00 0.00 54.79 51.96 1t3k n ASP 37 Cb 0.89 -1.40 0.00 0.00 2.34 0.00 0.00 41.12 42.95 1t3k n ASP 37 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1t3k n GLY 38 N -1.35 -4.12 0.11 0.27 0.00 -1.26 -4.52 105.19 94.31 1t3k n GLY 38 Ca 0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.49 1t3k n GLY 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1t3k h HIS 39 N 1.71 0.31 0.00 1.61 3.86 -1.92 -3.36 115.15 117.37 1t3k h HIS 39 Ca 0.00 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1t3k h HIS 39 Cb 0.00 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.42 1t3k h HIS 39 CO 0.00 0.83 0.00 1.51 0.86 0.00 0.00 177.93 181.13 1t3k n ILE 40 N -4.55 0.00 -3.63 2.45 0.13 -1.26 0.95 119.36 113.45 1t3k n ILE 40 Ca -0.08 1.14 -0.35 0.00 -1.10 0.00 0.00 62.75 62.36 1t3k n ILE 40 Cb 0.43 -1.81 -0.05 0.00 -0.84 0.00 0.00 39.64 37.37 1t3k n ILE 40 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1t3k s ALA 41 N -2.95 3.76 0.00 1.51 0.00 0.42 0.19 121.76 124.69 1t3k s ALA 41 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1t3k s ALA 41 Cb 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.90 1t3k s ALA 41 CO 0.00 0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.75 1t3k n GLY 42 N 1.04 1.66 0.00 0.00 0.00 -1.13 -4.35 105.19 102.41 1t3k n GLY 42 Ca -0.09 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1t3k n GLY 42 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1t3k n SER 43 N 0.00 0.00 -3.90 1.61 2.88 -1.26 -4.06 113.62 108.89 1t3k n SER 43 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1t3k n SER 43 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 1t3k n SER 43 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1t3k s LEU 44 N -0.17 2.21 0.06 2.46 1.43 -0.84 -4.96 118.68 118.86 1t3k s LEU 44 Ca 0.00 -1.04 0.08 0.00 -1.03 0.00 0.00 54.13 52.13 1t3k s LEU 44 Cb 0.00 -1.06 -0.03 0.00 0.03 0.00 0.00 46.19 45.14 1t3k s LEU 44 CO 0.00 -0.24 -0.21 -1.38 0.23 0.00 0.00 176.35 174.75 1t3k s HIS 45 N 1.50 1.83 -0.41 0.29 -3.43 -1.26 -0.78 115.29 113.03 1t3k s HIS 45 Ca -0.04 -0.38 0.00 0.00 -0.80 0.00 0.00 55.06 53.84 1t3k s HIS 45 Cb -0.18 -1.07 0.00 0.00 -1.43 0.00 0.00 32.58 29.90 1t3k s HIS 45 CO -0.07 0.12 0.00 2.48 -2.00 0.00 0.00 174.74 175.27 1t3k n TYR 46 N 1.68 0.00 -2.52 0.38 4.11 0.40 -4.75 117.16 116.45 1t3k n TYR 46 Ca -0.18 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 57.69 1t3k n TYR 46 Cb 0.53 0.00 0.02 0.00 -0.00 0.00 0.00 39.34 39.89 1t3k n TYR 46 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1t3k n ALA 47 N 0.00 0.08 -1.08 -3.48 0.00 -1.26 -2.31 120.51 112.47 1t3k n ALA 47 Ca 0.00 -0.32 0.03 0.00 0.00 0.00 0.00 53.44 53.14 1t3k n ALA 47 Cb 0.00 0.06 0.28 0.00 0.00 0.00 0.00 19.45 19.79 1t3k n ALA 47 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1t3k n SER 48 N -2.96 4.09 0.06 0.00 3.41 -1.12 -3.91 113.62 113.18 1t3k n SER 48 Ca 0.03 -3.19 0.11 0.00 -0.26 0.00 0.00 58.87 55.56 1t3k n SER 48 Cb 0.10 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 1t3k n SER 48 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t3k n GLY 49 N -0.42 -1.30 0.84 5.00 0.00 -1.26 -4.21 105.19 103.85 1t3k n GLY 49 Ca 0.29 -0.34 0.03 0.00 0.00 0.00 0.00 46.02 46.00 1t3k n GLY 49 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t3k n SER 50 N -2.30 0.71 0.17 1.61 7.64 -1.26 -4.84 113.62 115.35 1t3k n SER 50 Ca 0.00 -2.23 0.19 0.00 1.01 0.00 0.00 58.87 57.84 1t3k n SER 50 Cb 0.50 -0.28 0.78 0.00 -1.01 0.00 0.00 64.21 64.20 1t3k n SER 50 CO 0.00 0.00 0.00 2.19 -3.01 0.00 0.00 175.04 174.22 1t3k h PHE 51 N 0.45 0.00 -0.20 1.43 -5.15 -1.73 0.86 116.94 112.60 1t3k h PHE 51 Ca -0.09 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.68 1t3k h PHE 51 Cb 1.52 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.69 1t3k h PHE 51 CO 0.17 0.00 0.00 -3.47 -2.00 0.00 0.00 178.31 173.01 1t3k n ASP 52 N -3.50 1.52 -0.00 -0.68 2.03 -1.26 -3.38 116.55 111.27 1t3k n ASP 52 Ca 0.04 -2.09 0.02 0.00 0.52 0.00 0.00 54.79 53.29 1t3k n ASP 52 Cb 0.52 -0.27 -0.03 0.00 -0.72 0.00 0.00 41.12 40.62 1t3k n ASP 52 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1t3k n ASP 53 N 0.14 0.26 -0.00 1.67 2.03 0.30 -4.55 116.55 116.39 1t3k n ASP 53 Ca 0.07 -0.63 0.08 0.00 0.52 0.00 0.00 54.79 54.83 1t3k n ASP 53 Cb 0.29 0.99 -0.10 0.00 -0.72 0.00 0.00 41.12 41.57 1t3k n ASP 53 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1t3k n LYS 54 N -1.10 1.35 0.13 -0.67 4.76 -1.22 -4.35 118.16 117.06 1t3k n LYS 54 Ca 0.01 -0.01 -0.14 0.00 -2.87 0.00 0.00 58.31 55.30 1t3k n LYS 54 Cb 0.08 -1.31 -0.08 0.00 -1.84 0.00 0.00 35.03 31.89 1t3k n LYS 54 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1t3k h ILE 55 N 0.00 0.83 0.00 -0.18 1.08 -1.80 -1.04 117.51 116.40 1t3k h ILE 55 Ca 0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1t3k h ILE 55 Cb 0.43 0.83 0.00 0.00 -3.07 0.00 0.00 36.82 35.01 1t3k h ILE 55 CO 0.00 0.00 0.00 -1.54 -0.69 0.00 0.00 178.15 175.92 1t3k n SER 56 N -5.19 0.00 -0.02 1.72 3.41 -1.26 -2.31 113.62 109.97 1t3k n SER 56 Ca -0.09 0.36 -0.13 0.00 -0.26 0.00 0.00 58.87 58.76 1t3k n SER 56 Cb 0.12 -0.44 -0.10 0.00 -0.26 0.00 0.00 64.21 63.53 1t3k n SER 56 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1t3k h HIS 57 N 0.00 -0.04 0.00 7.33 6.17 -1.41 0.21 115.15 127.41 1t3k h HIS 57 Ca 0.00 -0.00 -0.09 0.00 0.71 0.00 0.00 60.37 60.99 1t3k h HIS 57 Cb 0.29 0.01 -0.01 0.00 2.52 0.00 0.00 27.41 30.22 1t3k h HIS 57 CO 0.00 0.58 -0.44 1.25 0.71 0.00 0.00 177.93 180.02 1t3k h LEU 58 N -0.71 0.00 -0.48 0.26 5.85 -1.23 -2.06 115.31 116.93 1t3k h LEU 58 Ca -0.00 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 1t3k h LEU 58 Cb 0.64 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 1t3k h LEU 58 CO 0.01 0.44 -0.56 0.58 -0.34 0.00 0.00 178.44 178.57 1t3k h VAL 59 N 0.00 1.32 0.00 1.05 2.07 -1.43 -2.34 116.25 116.91 1t3k h VAL 59 Ca -0.00 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.71 1t3k h VAL 59 Cb 0.81 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1t3k h VAL 59 CO 0.06 0.56 0.00 0.00 0.02 0.00 0.00 177.57 178.21 1t3k n GLN 60 N -3.96 0.11 -0.03 1.57 1.13 0.72 -4.18 117.38 112.74 1t3k n GLN 60 Ca -0.03 0.16 -0.03 0.00 -1.94 0.00 0.00 57.00 55.15 1t3k n GLN 60 Cb 0.61 -1.64 -0.01 0.00 0.11 0.00 0.00 30.24 29.31 1t3k n GLN 60 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1t3k n ASN 61 N -1.83 0.73 -4.42 1.08 5.03 -0.82 -4.96 115.26 110.07 1t3k n ASN 61 Ca 0.05 0.26 -0.39 0.00 0.87 0.00 0.00 54.58 55.38 1t3k n ASN 61 Cb 0.33 -0.62 -0.07 0.00 -1.02 0.00 0.00 39.78 38.40 1t3k n ASN 61 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 1t3k n VAL 62 N -3.22 -0.51 1.35 2.41 0.24 -0.90 -4.76 118.33 112.94 1t3k n VAL 62 Ca -0.04 -0.14 0.04 0.00 -2.04 0.00 0.00 64.34 62.16 1t3k n VAL 62 Cb 0.15 -0.88 0.23 0.00 -1.47 0.00 0.00 33.84 31.87 1t3k n VAL 62 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1t3k n LYS 63 N -4.24 0.68 0.00 7.34 4.81 -1.26 -4.88 118.16 120.60 1t3k n LYS 63 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1t3k n LYS 63 Cb 0.52 -1.18 0.00 0.00 0.02 0.00 0.00 35.03 34.40 1t3k n LYS 63 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1t3k n ASP 64 N -0.68 0.00 -4.56 3.14 2.03 -1.26 -4.73 116.55 110.49 1t3k n ASP 64 Ca 0.06 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.15 1t3k n ASP 64 Cb 0.03 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.37 1t3k n ASP 64 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1t3k s LYS 65 N 0.00 2.17 -0.25 -0.67 2.20 -1.26 -4.45 119.74 117.48 1t3k s LYS 65 Ca 0.00 0.04 -0.07 0.00 -0.36 0.00 0.00 55.97 55.59 1t3k s LYS 65 Cb 0.00 -4.94 0.12 0.00 -1.51 0.00 0.00 37.83 31.50 1t3k s LYS 65 CO 0.00 -3.80 0.52 0.16 -0.36 0.00 0.00 175.35 171.87 1t3k s ASP 66 N 9.20 -0.65 -0.09 1.43 1.47 -1.26 -4.86 116.67 121.91 1t3k s ASP 66 Ca 0.79 1.10 0.04 0.00 1.18 0.00 0.00 52.55 55.65 1t3k s ASP 66 Cb -0.09 1.76 0.00 0.00 -0.34 0.00 0.00 42.92 44.25 1t3k s ASP 66 CO 0.03 -0.24 -0.21 -0.89 0.68 0.00 0.00 175.17 174.54 1t3k s THR 67 N 2.74 1.83 -0.07 2.11 2.01 1.49 0.23 115.64 125.97 1t3k s THR 67 Ca 0.01 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.15 1t3k s THR 67 Cb -0.13 -1.59 0.01 0.00 0.01 0.00 0.00 72.50 70.80 1t3k s THR 67 CO -0.16 0.51 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.37 1t3k s LEU 68 N 0.39 1.74 -0.16 4.42 1.02 -0.62 -0.77 118.68 124.71 1t3k s LEU 68 Ca -0.17 -0.35 0.02 0.00 0.02 0.00 0.00 54.13 53.65 1t3k s LEU 68 Cb -0.17 -0.94 0.02 0.00 0.02 0.00 0.00 46.19 45.12 1t3k s LEU 68 CO 0.07 0.06 -0.20 0.68 0.02 0.00 0.00 176.35 176.99 1t3k s VAL 69 N 0.57 1.98 0.14 -1.59 -7.23 -0.73 -0.70 120.40 112.83 1t3k s VAL 69 Ca -0.15 -0.91 0.03 0.00 -1.81 0.00 0.00 61.98 59.14 1t3k s VAL 69 Cb -0.16 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 1t3k s VAL 69 CO 0.05 0.53 0.23 0.72 -0.31 0.00 0.00 175.10 176.31 1t3k s PHE 70 N 1.09 3.40 0.00 2.82 -0.12 -0.59 -0.01 117.98 124.56 1t3k s PHE 70 Ca -0.01 0.10 0.00 0.00 -0.05 0.00 0.00 56.93 56.97 1t3k s PHE 70 Cb -0.14 -1.64 0.00 0.00 -0.63 0.00 0.00 43.02 40.61 1t3k s PHE 70 CO -0.07 0.53 0.00 0.72 -0.05 0.00 0.00 175.22 176.34 1t3k n HIS 71 N -0.33 0.00 0.00 3.49 8.25 -0.81 -3.76 115.22 122.05 1t3k n HIS 71 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1t3k n HIS 71 Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 1t3k n HIS 71 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1t3k n SER 72 N 0.00 0.00 -0.01 0.41 2.88 -1.26 -3.64 113.62 112.01 1t3k n SER 72 Ca 0.00 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.70 1t3k n SER 72 Cb 0.00 0.00 0.92 0.00 -0.75 0.00 0.00 64.21 64.38 1t3k n SER 72 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t3k n ALA 73 N 0.39 2.68 -1.64 -1.46 0.00 -1.26 0.14 120.51 119.36 1t3k n ALA 73 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 1t3k n ALA 73 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 17.95 1t3k n ALA 73 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1t3k n LEU 74 N -0.97 -2.62 0.23 0.00 0.00 -1.24 -3.88 117.00 108.52 1t3k n LEU 74 Ca 0.23 0.08 0.07 0.00 0.00 0.00 0.00 56.01 56.38 1t3k n LEU 74 Cb 0.11 -1.25 0.35 0.00 0.00 0.00 0.00 43.42 42.63 1t3k n LEU 74 CO 0.17 -0.27 0.90 0.28 0.00 0.00 0.00 177.39 178.48 1t3k h SER 75 N 0.23 0.00 0.00 1.96 0.02 -1.92 -3.43 113.55 110.41 1t3k h SER 75 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1t3k h SER 75 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1t3k h SER 75 CO 0.02 0.00 0.00 1.67 -1.14 0.00 0.00 176.83 177.38 1t3k n GLN 76 N -2.27 0.00 0.00 3.45 -0.06 -1.26 -3.27 117.38 113.97 1t3k n GLN 76 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.99 1t3k n GLN 76 Cb 0.52 -1.03 0.00 0.00 -4.06 0.00 0.00 30.24 25.67 1t3k n GLN 76 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 1t3k n VAL 77 N -1.42 0.00 0.16 1.69 3.14 -1.26 -4.98 118.33 115.66 1t3k n VAL 77 Ca 0.00 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.42 1t3k n VAL 77 Cb 0.00 0.00 0.14 0.00 -1.06 0.00 0.00 33.84 32.92 1t3k n VAL 77 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1t3k h ARG 78 N 0.00 0.00 -0.86 1.45 1.12 -1.93 -3.35 114.38 110.81 1t3k h ARG 78 Ca 0.00 0.00 0.11 0.00 -1.11 0.00 0.00 59.98 58.98 1t3k h ARG 78 Cb 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 29.97 29.84 1t3k h ARG 78 CO 0.00 0.42 -0.40 0.41 -3.11 0.00 0.00 179.97 177.29 1t3k n GLY 79 N 0.91 -1.94 0.37 2.80 0.00 -1.26 0.29 105.19 106.36 1t3k n GLY 79 Ca 0.01 0.98 0.12 0.00 0.00 0.00 0.00 46.02 47.14 1t3k n GLY 79 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1t3k h PRO 80 N 0.00 0.57 -0.38 1.61 0.11 -1.99 0.58 132.00 132.50 1t3k h PRO 80 Ca 0.24 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.27 1t3k h PRO 80 Cb 0.45 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 1t3k h PRO 80 CO -0.83 0.38 0.05 1.15 -0.21 0.00 0.00 178.00 178.53 1t3k h THR 81 N 0.59 1.19 -0.82 -1.15 2.02 0.40 -0.41 112.91 114.73 1t3k h THR 81 Ca 0.39 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 1t3k h THR 81 Cb 0.70 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 1t3k h THR 81 CO -0.15 0.26 0.43 0.00 0.37 0.00 0.00 175.52 176.42 1t3k h ALA 83 N 1.32 1.33 -0.45 0.00 0.00 -0.38 -0.26 119.26 120.82 1t3k h ALA 83 Ca 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1t3k h ALA 83 Cb 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1t3k h ALA 83 CO -0.04 0.46 0.24 0.00 0.00 0.00 0.00 179.25 179.90 1t3k h ARG 84 N 0.49 0.61 -0.76 0.00 2.47 0.51 0.79 114.38 118.49 1t3k h ARG 84 Ca 0.10 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.71 1t3k h ARG 84 Cb 0.38 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.54 1t3k h ARG 84 CO 0.02 0.46 0.26 -0.09 0.56 0.00 0.00 179.97 181.17 1t3k h ARG 85 N 0.62 1.16 0.00 0.04 2.43 0.07 0.12 114.38 118.82 1t3k h ARG 85 Ca 0.16 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1t3k h ARG 85 Cb 0.03 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1t3k h ARG 85 CO -0.03 0.97 -0.08 1.25 -1.51 0.00 0.00 179.97 180.58 1t3k h LEU 86 N 1.12 0.00 -0.91 3.80 6.46 -0.25 0.36 115.31 125.90 1t3k h LEU 86 Ca 0.25 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.94 1t3k h LEU 86 Cb 0.28 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.18 1t3k h LEU 86 CO -0.01 0.08 0.04 0.58 -0.62 0.00 0.00 178.44 178.50 1t3k h VAL 87 N 0.00 1.24 0.00 1.05 2.07 0.53 0.27 116.25 121.41 1t3k h VAL 87 Ca -0.00 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 1t3k h VAL 87 Cb 0.16 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1t3k h VAL 87 CO 0.01 0.35 -0.08 -1.13 0.02 0.00 0.00 177.57 176.74 1t3k h ASN 88 N 0.79 0.00 0.35 0.57 -1.24 0.48 0.42 115.58 116.95 1t3k h ASN 88 Ca 0.16 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.15 1t3k h ASN 88 Cb 0.42 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.48 1t3k h ASN 88 CO 0.01 0.08 -0.17 0.22 -1.29 0.00 0.00 177.43 176.29 1t3k h TYR 89 N 0.00 -0.44 -0.65 0.67 5.03 0.41 0.45 116.97 122.44 1t3k h TYR 89 Ca -0.00 -0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.44 1t3k h TYR 89 Cb 0.27 0.14 -0.04 0.00 1.55 0.00 0.00 36.73 38.66 1t3k h TYR 89 CO 0.00 -0.24 0.44 1.25 -1.32 0.00 0.00 178.16 178.29 1t3k h LEU 90 N -1.11 0.23 -0.92 2.82 7.12 -0.90 0.83 115.31 123.39 1t3k h LEU 90 Ca -0.05 0.01 -0.11 0.00 0.13 0.00 0.00 57.88 57.86 1t3k h LEU 90 Cb 0.39 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.47 1t3k h LEU 90 CO 0.08 0.12 -0.48 -0.78 -0.13 0.00 0.00 178.44 177.25 1t3k h ASP 91 N 0.25 0.15 0.00 1.25 3.58 -0.88 0.15 116.42 120.93 1t3k h ASP 91 Ca 0.31 -0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.69 1t3k h ASP 91 Cb 0.88 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.89 1t3k h ASP 91 CO -0.07 0.61 -0.00 -0.33 -2.88 0.00 0.00 179.24 176.57 1t3k h GLU 92 N 0.11 -0.01 0.00 0.28 4.39 0.29 -3.42 114.58 116.22 1t3k h GLU 92 Ca 0.00 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.44 1t3k h GLU 92 Cb 0.90 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.50 1t3k h GLU 92 CO 0.07 -0.00 -2.28 1.17 -1.16 0.00 0.00 179.01 176.81 1t3k n LYS 93 N -2.09 0.68 -2.15 2.33 3.00 -0.23 -5.08 118.16 114.62 1t3k n LYS 93 Ca -0.00 -0.06 -0.03 0.00 -0.00 0.00 0.00 58.31 58.22 1t3k n LYS 93 Cb 0.00 -1.52 -0.02 0.00 0.00 0.00 0.00 35.03 33.49 1t3k n LYS 93 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1t3k n LYS 94 N -2.62 -3.27 -1.99 1.64 4.81 0.52 -5.01 118.16 112.25 1t3k n LYS 94 Ca -0.25 2.59 0.00 0.00 -0.87 0.00 0.00 58.31 59.78 1t3k n LYS 94 Cb 1.00 -3.67 0.00 0.00 0.02 0.00 0.00 35.03 32.38 1t3k n LYS 94 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1t3k n GLU 95 N 1.19 0.00 -0.12 1.64 0.00 -1.26 -4.99 120.64 117.10 1t3k n GLU 95 Ca -0.21 0.00 0.03 0.00 0.00 0.00 0.00 57.16 56.98 1t3k n GLU 95 Cb 0.33 0.00 0.10 0.00 0.00 0.00 0.00 31.44 31.87 1t3k n GLU 95 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1t3k n ASP 96 N 0.00 1.21 0.00 -1.84 -0.08 -1.26 -4.82 116.55 109.76 1t3k n ASP 96 Ca 0.00 -2.01 0.00 0.00 -1.51 0.00 0.00 54.79 51.27 1t3k n ASP 96 Cb 0.00 -0.16 0.00 0.00 2.34 0.00 0.00 41.12 43.30 1t3k n ASP 96 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1t3k n THR 97 N 0.14 0.00 0.00 5.18 -1.04 -1.26 -3.91 114.28 113.39 1t3k n THR 97 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1t3k n THR 97 Cb 0.19 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.70 1t3k n THR 97 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1t3k n GLY 98 N -1.93 3.00 3.77 3.41 0.00 -1.26 -4.64 105.19 107.53 1t3k n GLY 98 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1t3k n GLY 98 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1t3k s ILE 99 N -2.60 2.70 0.00 -0.61 -5.25 -1.25 -4.71 121.20 109.48 1t3k s ILE 99 Ca 0.00 0.69 -0.20 0.00 -0.99 0.00 0.00 60.65 60.14 1t3k s ILE 99 Cb 0.00 -3.43 -0.21 0.00 2.95 0.00 0.00 42.46 41.77 1t3k s ILE 99 CO 0.00 0.15 1.14 0.50 -1.79 0.00 0.00 174.94 174.94 1t3k h LYS 100 N 3.21 0.37 -2.46 0.37 1.63 0.26 -3.46 116.57 116.51 1t3k h LYS 100 Ca -0.49 -0.35 -0.07 0.00 -0.85 0.00 0.00 60.65 58.89 1t3k h LYS 100 Cb 1.23 0.09 -0.26 0.00 -0.60 0.00 0.00 32.23 32.69 1t3k h LYS 100 CO 0.65 1.01 -0.28 1.21 -3.45 0.00 0.00 179.45 178.58 1t3k s ASN 101 N -6.56 -0.50 -0.14 4.20 2.47 -1.17 -5.02 114.94 108.23 1t3k s ASN 101 Ca -0.14 1.07 -0.13 0.00 0.42 0.00 0.00 52.86 54.08 1t3k s ASN 101 Cb 0.04 1.25 -0.05 0.00 -1.45 0.00 0.00 41.25 41.04 1t3k s ASN 101 CO 0.80 -0.22 0.29 -0.63 -3.72 0.00 0.00 177.10 173.62 1t3k s ILE 102 N 2.14 5.29 0.22 -5.21 1.01 -1.26 -1.59 121.20 121.80 1t3k s ILE 102 Ca -0.06 0.56 -0.02 0.00 0.00 0.00 0.00 60.65 61.13 1t3k s ILE 102 Cb -0.10 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 1t3k s ILE 102 CO -0.14 0.43 0.19 -0.04 0.00 0.00 0.00 174.94 175.38 1t3k s MET 103 N 0.19 1.30 0.12 2.79 -1.94 0.13 0.12 119.30 122.00 1t3k s MET 103 Ca 0.17 -1.61 0.06 0.00 -1.71 0.00 0.00 55.69 52.59 1t3k s MET 103 Cb -0.13 0.30 -0.04 0.00 2.01 0.00 0.00 34.83 36.97 1t3k s MET 103 CO 0.05 -0.45 -0.13 -1.50 -0.01 0.00 0.00 175.02 172.97 1t3k s ILE 104 N -4.06 1.26 -0.05 2.53 2.07 0.00 -1.54 121.20 121.41 1t3k s ILE 104 Ca 0.37 -1.69 0.05 0.00 -1.41 0.00 0.00 60.65 57.97 1t3k s ILE 104 Cb 0.05 -1.48 -0.02 0.00 0.13 0.00 0.00 42.46 41.14 1t3k s ILE 104 CO 0.13 -0.43 -0.18 -1.48 -1.91 0.00 0.00 174.94 171.07 1t3k s LEU 105 N -2.42 2.50 0.03 8.50 -0.00 -1.25 -1.03 118.68 125.02 1t3k s LEU 105 Ca 0.08 -0.30 0.22 0.00 -0.00 0.00 0.00 54.13 54.12 1t3k s LEU 105 Cb -0.05 -1.49 -0.23 0.00 -0.00 0.00 0.00 46.19 44.42 1t3k s LEU 105 CO 0.03 0.31 0.62 -1.84 -0.00 0.00 0.00 176.35 175.47 1t3k n GLU 106 N 2.51 0.65 -2.30 1.48 -0.00 -1.26 -4.39 120.64 117.32 1t3k n GLU 106 Ca -0.17 -0.08 -0.17 0.00 -0.00 0.00 0.00 57.16 56.74 1t3k n GLU 106 Cb 0.52 -1.62 0.03 0.00 -0.00 0.00 0.00 31.44 30.37 1t3k n GLU 106 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1t3k n ARG 107 N -2.43 2.99 0.00 3.44 0.63 -1.26 -4.96 116.66 115.08 1t3k n ARG 107 Ca -0.05 -3.97 0.00 0.00 -0.92 0.00 0.00 57.85 52.91 1t3k n ARG 107 Cb 0.61 -2.06 0.00 0.00 0.45 0.00 0.00 32.46 31.46 1t3k n ARG 107 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1t3k n GLY 108 N -0.65 -1.37 0.48 5.14 0.00 -1.24 -4.73 105.19 102.82 1t3k n GLY 108 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1t3k n GLY 108 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1t3k n PHE 109 N 0.00 0.00 -0.07 1.61 3.01 0.36 -4.90 117.46 117.48 1t3k n PHE 109 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.36 1t3k n PHE 109 Cb 0.00 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.43 1t3k n PHE 109 CO 0.00 0.00 0.00 -2.95 1.01 0.00 0.00 176.76 174.82 1t3k h ASN 110 N 0.00 0.29 -0.12 4.37 -1.07 -1.67 -1.06 115.58 116.32 1t3k h ASN 110 Ca 0.00 -0.03 -0.08 0.00 0.07 0.00 0.00 56.30 56.25 1t3k h ASN 110 Cb 1.33 -0.07 -0.02 0.00 -2.07 0.00 0.00 38.32 37.49 1t3k h ASN 110 CO 0.00 0.24 -0.18 1.23 0.07 0.00 0.00 177.43 178.79 1t3k h GLY 111 N 0.32 0.56 0.68 9.14 0.00 -1.90 0.18 103.07 112.04 1t3k h GLY 111 Ca 0.09 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1t3k h GLY 111 CO -0.02 0.39 -0.10 -0.25 0.00 0.00 0.00 176.54 176.56 1t3k h TRP 112 N 0.47 -0.26 0.04 5.60 2.91 -1.78 3.73 115.95 126.66 1t3k h TRP 112 Ca 0.08 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.09 1t3k h TRP 112 Cb 0.58 0.09 0.00 0.00 -0.51 0.00 0.00 29.16 29.32 1t3k h TRP 112 CO 0.02 0.06 -0.02 1.49 -1.03 0.00 0.00 178.44 178.96 1t3k h GLU 113 N -0.61 -0.05 0.03 2.65 4.22 -1.20 0.23 114.58 119.85 1t3k h GLU 113 Ca -0.03 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.41 1t3k h GLU 113 Cb 0.44 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1t3k h GLU 113 CO 0.05 0.36 -0.01 0.00 -2.18 0.00 0.00 179.01 177.22 1t3k h ALA 114 N 0.45 -0.04 -0.11 2.92 0.00 -0.73 -3.42 119.26 118.33 1t3k h ALA 114 Ca -0.01 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.53 1t3k h ALA 114 Cb 0.44 0.01 -0.19 0.00 0.00 0.00 0.00 17.79 18.05 1t3k h ALA 114 CO 0.01 -0.36 -0.44 0.43 0.00 0.00 0.00 179.25 178.89 1t3k n SER 115 N -4.95 -1.16 0.00 0.00 7.64 0.74 -4.96 113.62 110.93 1t3k n SER 115 Ca -0.08 -2.32 0.00 0.00 1.01 0.00 0.00 58.87 57.47 1t3k n SER 115 Cb 0.19 0.62 0.00 0.00 -1.01 0.00 0.00 64.21 64.01 1t3k n SER 115 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t3k n GLY 116 N -1.02 0.00 0.00 0.23 0.00 1.20 -4.79 105.19 100.81 1t3k n GLY 116 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1t3k n GLY 116 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1t3k n LYS 117 N -2.64 0.00 -1.70 1.61 2.85 0.76 -4.92 118.16 114.12 1t3k n LYS 117 Ca 0.00 0.00 -0.44 0.00 -1.05 0.00 0.00 58.31 56.82 1t3k n LYS 117 Cb 0.48 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.83 1t3k n LYS 117 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1t3k n PRO 118 N -0.69 2.40 -3.43 -1.58 -0.04 -1.26 -4.21 135.00 126.19 1t3k n PRO 118 Ca 0.00 0.86 -0.34 0.00 -0.04 0.00 0.00 63.50 63.98 1t3k n PRO 118 Cb 0.00 -2.62 -0.06 0.00 -0.04 0.00 0.00 33.50 30.78 1t3k n PRO 118 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1t3k s VAL 119 N 0.50 4.94 0.00 0.52 -7.23 -1.26 -4.81 120.40 113.06 1t3k s VAL 119 Ca 0.72 0.60 0.00 0.00 -1.81 0.00 0.00 61.98 61.49 1t3k s VAL 119 Cb -0.59 -3.67 0.00 0.00 0.56 0.00 0.00 36.38 32.68 1t3k s VAL 119 CO 0.42 0.13 0.00 0.00 -0.31 0.00 0.00 175.10 175.34 1t3k n ARG 121 N 0.00 0.00 -0.69 0.00 1.85 -1.26 -4.94 116.66 111.62 1t3k n ARG 121 Ca 0.00 0.00 0.08 0.00 -1.00 0.00 0.00 57.85 56.93 1t3k n ARG 121 Cb 0.00 -0.88 -0.02 0.00 -1.05 0.00 0.00 32.46 30.50 1t3k n ARG 121 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1t3k n ALA 123 N -1.57 0.00 -1.53 0.00 0.00 -1.26 -4.98 120.51 111.17 1t3k n ALA 123 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1t3k n ALA 123 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.98 1t3k n ALA 123 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1t3k n GLU 124 N 0.00 -3.73 -4.52 0.00 1.02 -1.26 -4.66 120.64 107.48 1t3k n GLU 124 Ca 0.00 2.96 -0.42 0.00 -0.02 0.00 0.00 57.16 59.68 1t3k n GLU 124 Cb 0.00 -3.93 -0.08 0.00 -0.02 0.00 0.00 31.44 27.42 1t3k n GLU 124 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1t3k n VAL 125 N -3.36 -0.11 0.00 2.62 0.24 -1.26 -4.81 118.33 111.65 1t3k n VAL 125 Ca -0.04 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1t3k n VAL 125 Cb 0.56 -0.61 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 1t3k n VAL 125 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1t3k n PRO 126 N -4.10 0.00 -1.43 7.34 -0.04 -1.26 -5.04 135.00 130.46 1t3k n PRO 126 Ca 0.10 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.13 1t3k n PRO 126 Cb 0.46 -0.27 -0.00 0.00 -0.04 0.00 0.00 33.50 33.65 1t3k n PRO 126 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1t3k n LYS 128 N 0.80 3.86 -2.38 0.00 5.02 0.27 -4.87 118.16 120.86 1t3k n LYS 128 Ca 0.12 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.25 1t3k n LYS 128 Cb 0.36 -0.46 -0.01 0.00 -0.02 0.00 0.00 35.03 34.90 1t3k n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1t3k n GLY 129 N 0.13 -0.42 3.00 0.72 0.00 0.45 -4.71 105.19 104.36 1t3k n GLY 129 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1t3k n GLY 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1t3k s ASP 130 N -2.05 0.04 0.19 1.61 2.15 0.50 -2.82 116.67 116.29 1t3k s ASP 130 Ca 0.00 -0.13 0.05 0.00 0.43 0.00 0.00 52.55 52.91 1t3k s ASP 130 Cb 0.00 0.15 0.07 0.00 -0.30 0.00 0.00 42.92 42.84 1t3k s ASP 130 CO 0.00 -0.19 1.43 0.00 -0.17 0.00 0.00 175.17 176.24