#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3k n ALA 2 N 0.00 0.00 -0.61 3.17 0.00 -1.26 -5.14 120.51 116.67 1t3k n ALA 2 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1t3k n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1t3k n ALA 2 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1t3k n MET 3 N 0.00 -1.35 -1.96 0.00 2.00 -1.26 -4.98 117.12 109.57 1t3k n MET 3 Ca 0.00 1.05 -0.23 0.00 0.00 0.00 0.00 57.70 58.51 1t3k n MET 3 Cb 0.00 -1.60 0.15 0.00 0.00 0.00 0.00 33.22 31.76 1t3k n MET 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1t3k n ALA 4 N -2.90 -0.69 -3.36 3.04 0.00 -1.26 -5.12 120.51 110.21 1t3k n ALA 4 Ca -0.03 -1.61 0.00 0.00 0.00 0.00 0.00 53.44 51.80 1t3k n ALA 4 Cb 0.29 0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1t3k n ALA 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1t3k n ARG 5 N -3.11 1.82 -1.46 0.00 5.12 -1.26 -5.06 116.66 112.71 1t3k n ARG 5 Ca 0.15 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.07 1t3k n ARG 5 Cb 0.51 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.81 1t3k n ARG 5 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1t3k n SER 6 N -1.67 -7.90 -1.21 0.55 7.64 -1.26 -4.98 113.62 104.81 1t3k n SER 6 Ca 0.00 1.39 0.13 0.00 1.01 0.00 0.00 58.87 61.40 1t3k n SER 6 Cb 0.00 -4.45 -0.06 0.00 -1.01 0.00 0.00 64.21 58.69 1t3k n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t3k n ILE 7 N -1.60 -0.47 -4.57 0.44 0.00 -1.26 -4.90 119.36 107.01 1t3k n ILE 7 Ca 0.00 0.59 -0.26 0.00 0.00 0.00 0.00 62.75 63.08 1t3k n ILE 7 Cb 0.19 -0.95 -0.17 0.00 0.00 0.00 0.00 39.64 38.71 1t3k n ILE 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1t3k s SER 8 N -6.48 2.08 0.20 9.51 0.01 -0.68 -5.00 113.70 113.33 1t3k s SER 8 Ca 0.00 -0.35 0.09 0.00 1.31 0.00 0.00 55.95 57.00 1t3k s SER 8 Cb 0.00 -0.94 -0.04 0.00 0.21 0.00 0.00 66.02 65.25 1t3k s SER 8 CO 0.00 0.03 -0.10 -0.72 0.41 0.00 0.00 173.24 172.86 1t3k s TYR 9 N 0.79 2.60 -0.07 2.43 -0.85 -1.26 -2.53 117.35 118.46 1t3k s TYR 9 Ca -0.12 -0.24 0.03 0.00 -0.52 0.00 0.00 57.07 56.23 1t3k s TYR 9 Cb -0.16 -1.25 0.00 0.00 0.38 0.00 0.00 41.96 40.94 1t3k s TYR 9 CO 0.02 0.54 -0.18 0.42 -1.52 0.00 0.00 175.55 174.83 1t3k s ILE 10 N -1.83 1.53 0.51 -3.49 1.01 -1.01 -4.85 121.20 113.07 1t3k s ILE 10 Ca 0.26 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 60.22 1t3k s ILE 10 Cb -0.08 -1.35 0.03 0.00 0.01 0.00 0.00 42.46 41.07 1t3k s ILE 10 CO 0.15 0.44 0.70 -0.89 0.00 0.00 0.00 174.94 175.35 1t3k s THR 11 N 0.39 2.75 0.23 2.92 2.01 -1.26 -3.42 115.64 119.26 1t3k s THR 11 Ca -0.13 -0.82 -0.07 0.00 0.31 0.00 0.00 61.69 60.98 1t3k s THR 11 Cb -0.15 -2.94 0.18 0.00 0.01 0.00 0.00 72.50 69.60 1t3k s THR 11 CO 0.05 0.00 1.74 -1.28 -0.69 0.00 0.00 174.62 174.44 1t3k h SER 12 N 0.28 0.25 0.33 3.53 0.87 -2.00 -1.91 113.55 114.90 1t3k h SER 12 Ca -0.40 0.09 -0.23 0.00 -1.23 0.00 0.00 61.79 60.02 1t3k h SER 12 Cb 1.29 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 1t3k h SER 12 CO 0.48 0.12 -0.97 0.71 -0.53 0.00 0.00 176.83 176.64 1t3k h THR 13 N 0.43 1.40 0.00 2.23 1.35 -2.02 -3.11 112.91 113.18 1t3k h THR 13 Ca 0.36 -2.48 0.00 0.00 -0.55 0.00 0.00 66.41 63.74 1t3k h THR 13 Cb 0.50 2.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 1t3k h THR 13 CO -0.36 0.74 0.16 1.56 -0.25 0.00 0.00 175.52 177.38 1t3k h GLN 14 N 0.23 0.00 0.00 4.72 1.08 -1.73 0.76 115.11 120.17 1t3k h GLN 14 Ca -0.09 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 56.96 1t3k h GLN 14 Cb 1.62 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.03 1t3k h GLN 14 CO 0.17 0.00 -0.72 1.37 -0.95 0.00 0.00 178.83 178.70 1t3k h LEU 15 N 0.00 0.00 0.21 1.46 8.10 -1.41 -3.30 115.31 120.37 1t3k h LEU 15 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.99 1t3k h LEU 15 Cb 0.33 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.54 1t3k h LEU 15 CO 0.00 0.72 -0.16 0.25 -4.11 0.00 0.00 178.44 175.15 1t3k h LEU 16 N 0.00 -0.40 0.03 0.17 6.46 0.40 -3.30 115.31 118.67 1t3k h LEU 16 Ca -0.01 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1t3k h LEU 16 Cb 1.31 0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 41.36 1t3k h LEU 16 CO 0.09 -0.24 -0.05 -0.65 -0.62 0.00 0.00 178.44 176.97 1t3k h PRO 17 N -0.37 -0.08 0.00 5.25 0.11 -1.64 -3.46 132.00 131.80 1t3k h PRO 17 Ca -0.01 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1t3k h PRO 17 Cb 0.33 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1t3k h PRO 17 CO -0.00 -0.05 0.00 1.28 -0.21 0.00 0.00 178.00 179.01 1t3k n LEU 18 N -2.66 0.00 0.00 2.35 7.99 -1.24 -5.06 117.00 118.38 1t3k n LEU 18 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 1t3k n LEU 18 Cb 0.04 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.35 1t3k n LEU 18 CO 0.02 -0.22 0.00 1.57 -1.51 0.00 0.00 177.39 177.25 1t3k n HIS 19 N -1.66 0.00 -2.68 -1.77 -0.00 -1.25 -4.60 115.22 103.26 1t3k n HIS 19 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.70 1t3k n HIS 19 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1t3k n HIS 19 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1t3k n ARG 20 N -2.04 -1.29 0.00 1.57 5.12 -1.26 -4.95 116.66 113.81 1t3k n ARG 20 Ca 0.00 1.43 0.00 0.00 -1.93 0.00 0.00 57.85 57.35 1t3k n ARG 20 Cb 0.00 -4.85 0.00 0.00 -1.16 0.00 0.00 32.46 26.45 1t3k n ARG 20 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1t3k n ARG 21 N -1.24 0.00 -0.08 5.56 1.85 -1.26 -4.52 116.66 116.98 1t3k n ARG 21 Ca 0.03 0.54 0.00 0.00 -1.00 0.00 0.00 57.85 57.42 1t3k n ARG 21 Cb 0.46 -0.98 0.00 0.00 -1.05 0.00 0.00 32.46 30.89 1t3k n ARG 21 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1t3k n PRO 22 N -1.38 1.54 -2.95 2.89 -0.04 -1.26 -4.58 135.00 129.24 1t3k n PRO 22 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1t3k n PRO 22 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 1t3k n PRO 22 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1t3k n ASN 23 N -0.56 -0.02 -3.90 3.54 4.13 -1.26 -4.86 115.26 112.33 1t3k n ASN 23 Ca 0.00 -0.45 -0.17 0.00 1.68 0.00 0.00 54.58 55.63 1t3k n ASN 23 Cb 0.00 -0.57 -0.16 0.00 -1.54 0.00 0.00 39.78 37.52 1t3k n ASN 23 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1t3k s ILE 24 N -2.88 0.38 0.05 2.41 1.10 -1.26 0.11 121.20 121.12 1t3k s ILE 24 Ca 0.11 -0.10 -0.25 0.00 -0.51 0.00 0.00 60.65 59.90 1t3k s ILE 24 Cb -0.06 -0.40 0.06 0.00 0.15 0.00 0.00 42.46 42.21 1t3k s ILE 24 CO 0.36 0.16 0.58 0.00 -2.11 0.00 0.00 174.94 173.93 1t3k s ALA 25 N 0.55 -1.50 -0.23 1.50 0.00 -0.50 -4.93 121.76 116.65 1t3k s ALA 25 Ca -0.06 0.74 -0.12 0.00 0.00 0.00 0.00 51.96 52.52 1t3k s ALA 25 Cb -0.10 0.43 -0.05 0.00 0.00 0.00 0.00 23.12 23.40 1t3k s ALA 25 CO -0.00 -0.54 0.21 0.42 0.00 0.00 0.00 175.76 175.84 1t3k s ILE 26 N -2.50 5.33 -0.02 0.00 1.01 -1.26 -0.50 121.20 123.26 1t3k s ILE 26 Ca -0.05 0.31 -0.11 0.00 0.00 0.00 0.00 60.65 60.80 1t3k s ILE 26 Cb -0.01 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.86 1t3k s ILE 26 CO -0.02 0.34 0.31 -0.51 0.00 0.00 0.00 174.94 175.06 1t3k s ILE 27 N 1.02 5.21 0.04 2.92 -1.16 0.14 -1.22 121.20 128.15 1t3k s ILE 27 Ca 0.10 0.53 0.01 0.00 -0.51 0.00 0.00 60.65 60.78 1t3k s ILE 27 Cb -0.13 -3.60 -0.02 0.00 0.61 0.00 0.00 42.46 39.31 1t3k s ILE 27 CO 0.05 0.53 -0.06 -0.62 -2.81 0.00 0.00 174.94 172.02 1t3k s ASP 28 N -1.24 0.68 0.00 4.50 2.15 -0.11 -2.04 116.67 120.62 1t3k s ASP 28 Ca 0.23 -0.56 0.00 0.00 0.43 0.00 0.00 52.55 52.65 1t3k s ASP 28 Cb -0.15 0.06 0.00 0.00 -0.30 0.00 0.00 42.92 42.53 1t3k s ASP 28 CO 0.12 -0.25 0.00 1.33 -0.17 0.00 0.00 175.17 176.20 1t3k n VAL 29 N 1.41 0.00 0.00 1.11 0.24 -1.26 -2.21 118.33 117.62 1t3k n VAL 29 Ca -0.23 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 1t3k n VAL 29 Cb 0.55 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 1t3k n VAL 29 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1t3k n ARG 30 N 0.00 0.00 0.00 7.34 1.74 0.04 -4.49 116.66 121.29 1t3k n ARG 30 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1t3k n ARG 30 Cb 0.00 -0.24 0.00 0.00 -1.02 0.00 0.00 32.46 31.20 1t3k n ARG 30 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1t3k n ASP 31 N 0.00 0.00 0.08 0.55 2.03 0.14 -4.38 116.55 114.97 1t3k n ASP 31 Ca 0.00 0.00 0.21 0.00 0.52 0.00 0.00 54.79 55.52 1t3k n ASP 31 Cb 0.00 0.00 0.72 0.00 -0.72 0.00 0.00 41.12 41.12 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 0.00 0.00 -0.67 4.11 -1.87 1.39 114.58 117.54 1t3k h GLU 32 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1t3k h GLU 32 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1t3k h GLU 32 CO 0.00 0.00 -0.28 -1.91 0.07 0.00 0.00 179.01 176.89 1t3k n GLU 33 N -3.59 0.22 0.08 1.06 2.13 -1.26 -3.61 120.64 115.66 1t3k n GLU 33 Ca 0.08 0.12 -0.14 0.00 0.66 0.00 0.00 57.16 57.88 1t3k n GLU 33 Cb 0.70 -1.69 -0.07 0.00 0.27 0.00 0.00 31.44 30.64 1t3k n GLU 33 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1t3k h ARG 34 N 0.00 0.39 -0.18 5.31 2.43 0.16 0.85 114.38 123.33 1t3k h ARG 34 Ca 0.00 -0.47 0.05 0.00 -0.81 0.00 0.00 59.98 58.75 1t3k h ARG 34 Cb 0.69 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.34 1t3k h ARG 34 CO 0.00 1.15 -0.11 -0.91 -1.51 0.00 0.00 179.97 178.58 1t3k h ASN 35 N 0.19 -0.37 0.26 -3.80 2.35 -1.59 -2.94 115.58 109.69 1t3k h ASN 35 Ca -0.10 0.08 -0.34 0.00 -0.55 0.00 0.00 56.30 55.39 1t3k h ASN 35 Cb 1.69 0.20 0.01 0.00 0.05 0.00 0.00 38.32 40.26 1t3k h ASN 35 CO 0.18 -0.15 -1.66 1.88 -1.65 0.00 0.00 177.43 176.03 1t3k h TYR 36 N -0.10 0.71 -6.04 1.19 -1.99 -1.72 -3.47 116.97 105.55 1t3k h TYR 36 Ca 0.11 -0.52 -0.35 0.00 2.00 0.00 0.00 58.73 59.96 1t3k h TYR 36 Cb 0.26 -0.03 -0.18 0.00 2.00 0.00 0.00 36.73 38.78 1t3k h TYR 36 CO -0.26 1.60 -0.51 -0.40 -0.00 0.00 0.00 178.16 178.58 1t3k n ASP 37 N -3.58 -1.96 -1.16 3.88 5.68 0.30 -4.48 116.55 115.22 1t3k n ASP 37 Ca -0.22 -0.44 0.08 0.00 -0.50 0.00 0.00 54.79 53.71 1t3k n ASP 37 Cb 1.08 -1.72 -0.02 0.00 -1.14 0.00 0.00 41.12 39.32 1t3k n ASP 37 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1t3k n GLY 38 N -0.89 -1.34 2.85 6.12 0.00 -1.26 -4.64 105.19 106.03 1t3k n GLY 38 Ca 0.05 -1.07 -0.16 0.00 0.00 0.00 0.00 46.02 44.84 1t3k n GLY 38 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1t3k s HIS 39 N -0.89 0.30 -1.66 1.61 3.76 -1.26 -4.71 115.29 112.44 1t3k s HIS 39 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 55.06 54.89 1t3k s HIS 39 Cb 0.00 -0.33 0.00 0.00 1.11 0.00 0.00 32.58 33.36 1t3k s HIS 39 CO 0.00 -0.09 0.00 1.51 -0.85 0.00 0.00 174.74 175.31 1t3k n ILE 40 N 3.77 -0.84 -3.90 0.60 0.00 -1.26 -3.02 119.36 114.71 1t3k n ILE 40 Ca -0.22 0.00 -0.11 0.00 0.00 0.00 0.00 62.75 62.42 1t3k n ILE 40 Cb 0.53 -2.70 -0.12 0.00 0.00 0.00 0.00 39.64 37.35 1t3k n ILE 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1t3k s ALA 41 N -2.94 -0.07 0.00 1.51 0.00 0.61 -3.61 121.76 117.27 1t3k s ALA 41 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1t3k s ALA 41 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1t3k s ALA 41 CO 0.00 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1t3k n GLY 42 N 2.31 0.50 1.15 0.00 0.00 -1.05 -2.59 105.19 105.51 1t3k n GLY 42 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1t3k n GLY 42 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t3k n SER 43 N 0.00 -6.49 -4.55 1.61 3.41 -1.26 -4.74 113.62 101.61 1t3k n SER 43 Ca 0.00 0.90 -0.43 0.00 -0.26 0.00 0.00 58.87 59.08 1t3k n SER 43 Cb 0.00 -3.17 -0.06 0.00 -0.26 0.00 0.00 64.21 60.72 1t3k n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1t3k s LEU 44 N -2.99 4.30 0.02 1.04 1.43 -0.36 -4.87 118.68 117.25 1t3k s LEU 44 Ca 0.00 -0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.02 1t3k s LEU 44 Cb 0.00 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 1t3k s LEU 44 CO 0.00 -0.77 0.24 -1.00 0.23 0.00 0.00 176.35 175.05 1t3k s HIS 45 N 2.99 3.55 0.32 0.29 3.76 -1.25 -0.94 115.29 124.02 1t3k s HIS 45 Ca 0.27 0.46 -0.18 0.00 -0.15 0.00 0.00 55.06 55.46 1t3k s HIS 45 Cb -0.13 -1.91 0.03 0.00 1.11 0.00 0.00 32.58 31.68 1t3k s HIS 45 CO 0.19 0.61 0.71 1.52 -0.85 0.00 0.00 174.74 176.92 1t3k s TYR 46 N -1.36 0.01 0.00 1.40 1.13 -0.94 -4.85 117.35 112.75 1t3k s TYR 46 Ca 0.29 -0.53 0.00 0.00 -1.41 0.00 0.00 57.07 55.42 1t3k s TYR 46 Cb -0.13 0.68 0.00 0.00 -1.10 0.00 0.00 41.96 41.41 1t3k s TYR 46 CO 0.19 -1.33 0.00 0.00 -2.51 0.00 0.00 175.55 171.90 1t3k n ALA 47 N -0.48 0.00 0.00 9.51 0.00 -1.26 0.24 120.51 128.52 1t3k n ALA 47 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1t3k n ALA 47 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.68 0.00 -2.39 0.00 3.41 -1.26 -4.08 113.62 108.62 1t3k n SER 48 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 1t3k n SER 48 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.00 -0.45 0.00 5.00 0.00 -1.26 0.11 105.19 108.59 1t3k n GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1t3k n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t3k n SER 50 N -1.39 0.00 0.00 1.61 3.41 -1.26 -4.34 113.62 111.65 1t3k n SER 50 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1t3k n SER 50 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1t3k n SER 50 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1t3k n PHE 51 N 0.00 0.00 -0.02 7.33 3.01 0.30 -4.52 117.46 123.56 1t3k n PHE 51 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1t3k n PHE 51 Cb 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 1t3k n PHE 51 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1t3k n ASP 52 N 0.20 1.16 -0.94 4.37 2.03 -1.25 -4.33 116.55 117.78 1t3k n ASP 52 Ca 0.00 -1.18 0.12 0.00 0.52 0.00 0.00 54.79 54.25 1t3k n ASP 52 Cb 0.00 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.50 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 -0.09 2.96 -0.00 1.67 2.03 -1.23 -4.28 116.55 117.61 1t3k n ASP 53 Ca 0.00 -1.97 0.04 0.00 0.52 0.00 0.00 54.79 53.38 1t3k n ASP 53 Cb 0.05 -0.01 -0.05 0.00 -0.72 0.00 0.00 41.12 40.39 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 1.32 3.85 -0.00 -0.67 4.76 -1.23 -4.37 118.16 121.82 1t3k n LYS 54 Ca 0.14 -0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.67 1t3k n LYS 54 Cb 0.58 -0.95 -0.12 0.00 -1.84 0.00 0.00 35.03 32.71 1t3k n LYS 54 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1t3k n ILE 55 N -1.23 0.00 0.03 -0.18 -0.00 -1.26 -2.82 119.36 113.90 1t3k n ILE 55 Ca 0.02 -0.15 -0.12 0.00 -0.00 0.00 0.00 62.75 62.50 1t3k n ILE 55 Cb 0.15 0.77 -0.14 0.00 -0.00 0.00 0.00 39.64 40.42 1t3k n ILE 55 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 1t3k h SER 56 N 0.00 0.18 0.07 4.38 0.02 -1.80 -0.79 113.55 115.61 1t3k h SER 56 Ca 0.00 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1t3k h SER 56 Cb 0.56 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1t3k h SER 56 CO 0.00 1.23 -0.04 -0.74 -1.14 0.00 0.00 176.83 176.15 1t3k h HIS 57 N 0.03 -0.09 -0.11 3.45 6.17 -1.76 0.44 115.15 123.28 1t3k h HIS 57 Ca -0.21 -0.00 -0.03 0.00 0.71 0.00 0.00 60.37 60.84 1t3k h HIS 57 Cb 1.96 0.03 -0.01 0.00 2.52 0.00 0.00 27.41 31.91 1t3k h HIS 57 CO 0.03 0.33 -0.06 -0.07 0.71 0.00 0.00 177.93 178.87 1t3k h LEU 58 N -0.54 0.15 -0.72 0.26 3.38 -1.59 0.13 115.31 116.37 1t3k h LEU 58 Ca -0.01 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1t3k h LEU 58 Cb 0.46 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1t3k h LEU 58 CO 0.02 0.24 -0.31 0.58 0.09 0.00 0.00 178.44 179.05 1t3k h VAL 59 N 0.16 1.28 0.00 1.22 2.07 -0.77 -2.29 116.25 117.92 1t3k h VAL 59 Ca 0.04 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1t3k h VAL 59 Cb 0.22 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1t3k h VAL 59 CO 0.01 0.46 0.00 0.00 0.02 0.00 0.00 177.57 178.06 1t3k n GLN 60 N -4.08 0.08 0.08 1.57 1.13 0.15 -2.59 117.38 113.72 1t3k n GLN 60 Ca -0.01 0.38 -0.02 0.00 -1.94 0.00 0.00 57.00 55.41 1t3k n GLN 60 Cb 0.47 -1.66 0.24 0.00 0.11 0.00 0.00 30.24 29.39 1t3k n GLN 60 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 1t3k h ASN 61 N 0.00 0.31 -6.52 1.08 -0.26 -0.98 -3.47 115.58 105.73 1t3k h ASN 61 Ca 0.00 -0.11 -0.49 0.00 -0.56 0.00 0.00 56.30 55.14 1t3k h ASN 61 Cb 0.23 -0.08 0.04 0.00 -1.06 0.00 0.00 38.32 37.44 1t3k h ASN 61 CO 0.00 0.63 -0.95 0.55 -1.06 0.00 0.00 177.43 176.60 1t3k n VAL 62 N -4.08 -4.58 0.00 2.81 3.14 -1.07 -4.95 118.33 109.60 1t3k n VAL 62 Ca -0.01 -0.70 0.00 0.00 -2.96 0.00 0.00 64.34 60.67 1t3k n VAL 62 Cb 0.43 -3.52 0.00 0.00 -1.06 0.00 0.00 33.84 29.69 1t3k n VAL 62 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1t3k n LYS 63 N -4.27 0.00 -1.45 1.45 -0.00 -1.26 -4.99 118.16 107.64 1t3k n LYS 63 Ca -0.12 0.13 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1t3k n LYS 63 Cb 0.59 -0.64 0.00 0.00 -0.00 0.00 0.00 35.03 34.98 1t3k n LYS 63 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1t3k n ASP 64 N -0.89 -1.58 0.10 -5.58 -0.08 -1.26 -4.90 116.55 102.36 1t3k n ASP 64 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1t3k n ASP 64 Cb 0.00 -0.45 0.00 0.00 2.34 0.00 0.00 41.12 43.01 1t3k n ASP 64 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1t3k n LYS 65 N -1.72 0.00 -2.67 -0.67 0.00 -1.26 -4.95 118.16 106.89 1t3k n LYS 65 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 1t3k n LYS 65 Cb 0.28 -0.05 -0.02 0.00 -0.00 0.00 0.00 35.03 35.24 1t3k n LYS 65 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1t3k s ASP 66 N -5.06 7.11 -0.20 -5.58 -4.77 -1.25 -4.54 116.67 102.37 1t3k s ASP 66 Ca 0.00 1.39 -0.09 0.00 -3.30 0.00 0.00 52.55 50.55 1t3k s ASP 66 Cb 0.00 -2.54 -0.04 0.00 -1.09 0.00 0.00 42.92 39.25 1t3k s ASP 66 CO 0.00 -0.65 0.10 0.42 0.70 0.00 0.00 175.17 175.74 1t3k s THR 67 N 3.10 5.06 -0.00 2.11 -4.23 0.30 0.41 115.64 122.39 1t3k s THR 67 Ca 0.44 0.07 0.07 0.00 -1.18 0.00 0.00 61.69 61.09 1t3k s THR 67 Cb -0.15 -3.31 -0.03 0.00 1.34 0.00 0.00 72.50 70.35 1t3k s THR 67 CO 0.07 0.43 -0.22 -0.76 -0.54 0.00 0.00 174.62 173.60 1t3k s LEU 68 N 0.52 2.34 -0.20 4.79 1.43 -0.33 -1.41 118.68 125.82 1t3k s LEU 68 Ca 0.05 -0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 52.65 1t3k s LEU 68 Cb -0.12 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.64 1t3k s LEU 68 CO 0.00 0.30 0.11 0.54 0.23 0.00 0.00 176.35 177.53 1t3k s VAL 69 N -0.73 5.16 0.17 -1.59 0.11 0.34 -0.63 120.40 123.23 1t3k s VAL 69 Ca 0.12 0.10 0.01 0.00 -2.93 0.00 0.00 61.98 59.28 1t3k s VAL 69 Cb -0.10 -3.35 -0.04 0.00 -1.53 0.00 0.00 36.38 31.36 1t3k s VAL 69 CO 0.01 0.44 0.32 0.72 -3.33 0.00 0.00 175.10 173.26 1t3k s PHE 70 N 0.43 3.49 0.27 1.54 -0.71 -0.95 0.29 117.98 122.34 1t3k s PHE 70 Ca 0.06 0.20 0.02 0.00 -1.04 0.00 0.00 56.93 56.18 1t3k s PHE 70 Cb -0.12 -1.74 -0.03 0.00 -1.21 0.00 0.00 43.02 39.92 1t3k s PHE 70 CO -0.01 0.47 0.23 -3.38 -1.34 0.00 0.00 175.22 171.19 1t3k s HIS 71 N -1.79 1.39 0.00 3.49 -3.43 -0.86 -2.62 115.29 111.47 1t3k s HIS 71 Ca 0.36 -1.48 0.00 0.00 -0.80 0.00 0.00 55.06 53.14 1t3k s HIS 71 Cb -0.11 -0.57 0.00 0.00 -1.43 0.00 0.00 32.58 30.47 1t3k s HIS 71 CO 0.29 -0.79 0.00 0.43 -2.00 0.00 0.00 174.74 172.67 1t3k n SER 72 N -0.93 0.00 0.00 7.38 7.64 -1.26 -4.68 113.62 121.77 1t3k n SER 72 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1t3k n SER 72 Cb 0.64 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 1t3k n SER 72 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t3k n ALA 73 N 0.00 1.18 -1.81 -0.43 0.00 -1.26 -4.99 120.51 113.20 1t3k n ALA 73 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1t3k n ALA 73 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.47 -0.30 -0.54 0.00 0.00 -1.26 -4.66 117.00 109.77 1t3k n LEU 74 Ca 0.00 -1.07 -0.07 0.00 0.00 0.00 0.00 56.01 54.87 1t3k n LEU 74 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.39 1t3k n LEU 74 CO 0.00 1.03 -0.07 -1.20 0.00 0.00 0.00 177.39 177.16 1t3k n SER 75 N 0.00 -5.17 -0.99 1.96 7.64 -1.26 -4.82 113.62 110.98 1t3k n SER 75 Ca -0.08 0.17 0.05 0.00 1.01 0.00 0.00 58.87 60.02 1t3k n SER 75 Cb 0.47 -3.29 0.13 0.00 -1.01 0.00 0.00 64.21 60.51 1t3k n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t3k n GLN 76 N -1.03 1.02 0.00 1.43 1.13 -1.26 -4.72 117.38 113.95 1t3k n GLN 76 Ca -0.07 -2.83 0.00 0.00 -1.94 0.00 0.00 57.00 52.16 1t3k n GLN 76 Cb 0.45 -1.02 0.00 0.00 0.11 0.00 0.00 30.24 29.79 1t3k n GLN 76 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 1t3k n VAL 77 N -0.49 0.00 0.10 5.09 3.14 -1.26 -4.97 118.33 119.94 1t3k n VAL 77 Ca 0.14 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.49 1t3k n VAL 77 Cb 0.87 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.64 1t3k n VAL 77 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 1t3k h ARG 78 N 0.00 0.00 -0.70 1.45 2.47 -1.94 -3.34 114.38 112.33 1t3k h ARG 78 Ca 0.00 0.00 0.09 0.00 -1.26 0.00 0.00 59.98 58.81 1t3k h ARG 78 Cb 0.00 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.21 1t3k h ARG 78 CO 0.00 0.80 -0.48 0.78 0.56 0.00 0.00 179.97 181.63 1t3k h GLY 79 N 2.83 -0.55 2.00 0.04 0.00 -1.93 0.88 103.07 106.34 1t3k h GLY 79 Ca -0.01 0.63 -0.00 0.00 0.00 0.00 0.00 47.33 47.95 1t3k h GLY 79 CO 0.10 -0.12 -0.02 -2.55 0.00 0.00 0.00 176.54 173.96 1t3k h PRO 80 N -0.18 0.00 -0.01 4.80 0.11 -1.87 -0.85 132.00 134.00 1t3k h PRO 80 Ca 0.18 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 1t3k h PRO 80 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1t3k h PRO 80 CO -0.77 0.02 -0.03 1.15 -0.21 0.00 0.00 178.00 178.17 1t3k h THR 81 N 0.00 1.44 -0.42 -1.15 2.02 0.57 0.69 112.91 116.06 1t3k h THR 81 Ca -0.00 -1.35 -0.10 0.00 0.77 0.00 0.00 66.41 65.73 1t3k h THR 81 Cb 0.06 2.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 1t3k h THR 81 CO 0.00 0.36 -0.13 0.00 0.37 0.00 0.00 175.52 176.12 1t3k h ALA 83 N 1.17 1.08 -0.82 0.00 0.00 -1.16 -2.46 119.26 117.07 1t3k h ALA 83 Ca 0.11 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1t3k h ALA 83 Cb 0.61 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1t3k h ALA 83 CO 0.04 0.68 0.52 -0.09 0.00 0.00 0.00 179.25 180.41 1t3k h ARG 84 N 0.00 1.09 -0.22 0.00 9.65 0.14 0.13 114.38 125.17 1t3k h ARG 84 Ca -0.01 -0.08 -0.09 0.00 -1.10 0.00 0.00 59.98 58.71 1t3k h ARG 84 Cb 0.98 -0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 29.31 1t3k h ARG 84 CO 0.07 0.74 -0.24 0.07 2.80 0.00 0.00 179.97 183.41 1t3k h ARG 85 N 1.11 0.42 -0.72 0.20 0.11 -1.12 -1.13 114.38 113.24 1t3k h ARG 85 Ca 0.30 -0.15 0.00 0.00 0.10 0.00 0.00 59.98 60.23 1t3k h ARG 85 Cb -0.10 -0.03 -0.04 0.00 1.11 0.00 0.00 29.97 30.92 1t3k h ARG 85 CO -0.06 0.63 0.45 1.25 0.10 0.00 0.00 179.97 182.35 1t3k h LEU 86 N 0.37 0.84 -0.93 0.08 5.85 -0.55 0.25 115.31 121.21 1t3k h LEU 86 Ca 0.06 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1t3k h LEU 86 Cb 0.63 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1t3k h LEU 86 CO 0.04 0.62 -0.06 0.58 -0.34 0.00 0.00 178.44 179.29 1t3k h VAL 87 N 0.98 1.24 -0.09 1.05 2.07 0.34 -0.96 116.25 120.89 1t3k h VAL 87 Ca 0.26 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.74 1t3k h VAL 87 Cb -0.08 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1t3k h VAL 87 CO -0.05 0.36 -0.01 -1.13 0.02 0.00 0.00 177.57 176.76 1t3k h ASN 88 N 0.66 -0.05 -0.05 0.57 -1.24 0.05 0.28 115.58 115.79 1t3k h ASN 88 Ca 0.12 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.15 1t3k h ASN 88 Cb 0.50 0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.59 1t3k h ASN 88 CO 0.03 -0.01 0.02 0.22 -1.29 0.00 0.00 177.43 176.39 1t3k h TYR 89 N 0.02 0.09 -0.66 0.67 5.03 -1.17 -1.25 116.97 119.70 1t3k h TYR 89 Ca 0.04 -0.01 0.16 0.00 2.58 0.00 0.00 58.73 61.50 1t3k h TYR 89 Cb 0.05 -0.02 -0.04 0.00 1.55 0.00 0.00 36.73 38.27 1t3k h TYR 89 CO -0.13 0.25 0.46 1.37 -1.32 0.00 0.00 178.16 178.79 1t3k h LEU 90 N -0.11 0.18 -0.79 2.82 8.10 -0.92 0.68 115.31 125.27 1t3k h LEU 90 Ca 0.02 0.01 -0.13 0.00 0.11 0.00 0.00 57.88 57.89 1t3k h LEU 90 Cb 0.21 -0.03 -0.01 0.00 -0.44 0.00 0.00 40.66 40.39 1t3k h LEU 90 CO -0.00 0.09 -0.48 -0.78 -4.11 0.00 0.00 178.44 173.16 1t3k h ASP 91 N 0.19 0.32 -0.61 0.17 3.58 0.35 0.27 116.42 120.67 1t3k h ASP 91 Ca 0.32 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1t3k h ASP 91 Cb 0.98 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.95 1t3k h ASP 91 CO -0.06 0.75 0.00 1.21 -2.88 0.00 0.00 179.24 178.26 1t3k n GLU 92 N -3.97 3.39 0.09 0.28 2.13 0.21 -4.79 120.64 117.99 1t3k n GLU 92 Ca -0.02 -2.61 0.00 0.00 0.66 0.00 0.00 57.16 55.19 1t3k n GLU 92 Cb 0.54 -1.81 0.00 0.00 0.27 0.00 0.00 31.44 30.44 1t3k n GLU 92 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1t3k n LYS 93 N 1.10 0.00 0.00 5.31 3.00 0.22 -5.03 118.16 122.76 1t3k n LYS 93 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 1t3k n LYS 93 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.83 1t3k n LYS 93 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1t3k n LYS 94 N -2.98 0.00 -1.99 1.64 4.76 0.91 -4.97 118.16 115.53 1t3k n LYS 94 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 1t3k n LYS 94 Cb 0.00 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 1t3k n LYS 94 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1t3k s GLU 95 N -2.16 4.24 0.00 1.97 1.03 -1.26 -3.81 118.70 118.71 1t3k s GLU 95 Ca 0.00 2.29 0.00 0.00 0.03 0.00 0.00 54.97 57.29 1t3k s GLU 95 Cb 0.00 -3.21 0.00 0.00 -0.80 0.00 0.00 34.13 30.12 1t3k s GLU 95 CO 0.00 -0.57 0.00 -0.25 -1.33 0.00 0.00 175.26 173.11 1t3k n ASP 96 N 4.08 0.00 -3.60 0.83 8.00 -1.26 -5.05 116.55 119.55 1t3k n ASP 96 Ca 0.13 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.66 1t3k n ASP 96 Cb 0.40 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1t3k n ASP 96 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1t3k s THR 97 N -2.16 0.00 -0.83 -3.53 -1.32 -1.26 -4.98 115.64 101.56 1t3k s THR 97 Ca 0.00 -0.09 0.16 0.00 -1.21 0.00 0.00 61.69 60.56 1t3k s THR 97 Cb 0.00 -2.07 0.15 0.00 -1.51 0.00 0.00 72.50 69.07 1t3k s THR 97 CO 0.00 0.00 1.50 0.61 -2.21 0.00 0.00 174.62 174.52 1t3k n GLY 98 N -0.53 -1.04 3.81 6.08 0.00 -1.24 -4.49 105.19 107.78 1t3k n GLY 98 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.11 4.81 0.36 -0.61 -5.25 -1.26 -4.72 121.20 111.42 1t3k s ILE 99 Ca 0.05 1.16 0.19 0.00 -0.99 0.00 0.00 60.65 61.07 1t3k s ILE 99 Cb 0.09 -3.87 0.19 0.00 2.95 0.00 0.00 42.46 41.81 1t3k s ILE 99 CO 0.28 0.54 1.92 0.50 -1.79 0.00 0.00 174.94 176.39 1t3k h LYS 100 N 4.74 0.00 -2.50 0.37 3.64 0.79 -3.43 116.57 120.18 1t3k h LYS 100 Ca -0.49 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.80 1t3k h LYS 100 Cb 1.21 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 32.78 1t3k h LYS 100 CO 0.64 0.25 -0.22 -0.80 -2.27 0.00 0.00 179.45 177.05 1t3k s ASN 101 N -6.58 -0.61 0.10 4.20 0.01 -1.22 -4.90 114.94 105.94 1t3k s ASN 101 Ca -0.02 1.03 -0.26 0.00 -0.71 0.00 0.00 52.86 52.90 1t3k s ASN 101 Cb 0.13 0.92 -0.06 0.00 0.41 0.00 0.00 41.25 42.65 1t3k s ASN 101 CO 0.66 -0.20 0.80 -0.51 -1.51 0.00 0.00 177.10 176.34 1t3k s ILE 102 N 1.39 4.57 0.27 0.60 1.10 -1.26 -1.18 121.20 126.68 1t3k s ILE 102 Ca -0.09 1.73 0.04 0.00 -0.51 0.00 0.00 60.65 61.82 1t3k s ILE 102 Cb -0.07 -4.16 -0.06 0.00 0.15 0.00 0.00 42.46 38.32 1t3k s ILE 102 CO -0.14 0.41 0.02 -0.04 -2.11 0.00 0.00 174.94 173.08 1t3k s MET 103 N -0.40 1.47 -0.05 3.50 -1.94 0.20 -1.68 119.30 120.40 1t3k s MET 103 Ca 0.39 -1.77 0.05 0.00 -1.71 0.00 0.00 55.69 52.65 1t3k s MET 103 Cb -0.22 -0.74 -0.02 0.00 2.01 0.00 0.00 34.83 35.87 1t3k s MET 103 CO 0.25 -0.12 -0.21 0.42 -0.01 0.00 0.00 175.02 175.35 1t3k s ILE 104 N -3.36 2.49 0.21 2.53 1.01 -1.05 -2.23 121.20 120.80 1t3k s ILE 104 Ca 0.32 -0.92 -0.30 0.00 0.00 0.00 0.00 60.65 59.75 1t3k s ILE 104 Cb 0.07 -1.94 -0.08 0.00 0.01 0.00 0.00 42.46 40.52 1t3k s ILE 104 CO 0.12 0.58 1.14 -1.48 0.00 0.00 0.00 174.94 175.29 1t3k s LEU 105 N -0.44 4.49 0.02 2.97 -0.00 -1.08 -2.41 118.68 122.23 1t3k s LEU 105 Ca 0.05 2.20 0.20 0.00 -0.00 0.00 0.00 54.13 56.58 1t3k s LEU 105 Cb -0.12 -3.61 -0.20 0.00 -0.00 0.00 0.00 46.19 42.27 1t3k s LEU 105 CO 0.01 -0.26 0.63 -1.84 -0.00 0.00 0.00 176.35 174.89 1t3k n GLU 106 N 2.10 0.64 -2.72 1.48 -0.00 -1.22 -4.66 120.64 116.27 1t3k n GLU 106 Ca 0.02 0.02 -0.06 0.00 -0.00 0.00 0.00 57.16 57.14 1t3k n GLU 106 Cb 0.45 -1.67 0.06 0.00 -0.00 0.00 0.00 31.44 30.28 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 -2.61 0.50 0.00 3.44 0.63 -1.26 -4.98 116.66 112.38 1t3k n ARG 107 Ca -0.10 -1.32 0.00 0.00 -0.92 0.00 0.00 57.85 55.51 1t3k n ARG 107 Cb 0.74 -0.95 0.00 0.00 0.45 0.00 0.00 32.46 32.70 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 1.70 0.00 0.00 5.14 0.00 -1.26 -4.41 105.19 106.36 1t3k n GLY 108 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.09 1t3k n GLY 108 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1t3k n PHE 109 N 0.00 0.00 0.04 1.61 1.16 -1.26 -4.64 117.46 114.37 1t3k n PHE 109 Ca 0.00 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.70 1t3k n PHE 109 Cb 0.00 -0.01 0.57 0.00 -1.61 0.00 0.00 39.48 38.43 1t3k n PHE 109 CO 0.00 0.00 0.00 -2.95 -1.87 0.00 0.00 176.76 171.94 1t3k h ASN 110 N 0.00 0.20 -0.56 5.98 -1.07 -1.90 -0.41 115.58 117.82 1t3k h ASN 110 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.28 1t3k h ASN 110 Cb 0.04 -0.04 -0.02 0.00 -2.07 0.00 0.00 38.32 36.23 1t3k h ASN 110 CO 0.00 0.13 -0.02 1.23 0.07 0.00 0.00 177.43 178.84 1t3k h GLY 111 N 0.23 1.08 0.66 9.14 0.00 -1.82 0.20 103.07 112.56 1t3k h GLY 111 Ca 0.18 -0.81 -0.02 0.00 0.00 0.00 0.00 47.33 46.69 1t3k h GLY 111 CO -0.03 0.74 -0.18 -0.25 0.00 0.00 0.00 176.54 176.82 1t3k h TRP 112 N 0.88 -0.46 0.04 5.60 7.01 -1.39 1.00 115.95 128.63 1t3k h TRP 112 Ca 0.16 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.14 1t3k h TRP 112 Cb 0.57 0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.78 1t3k h TRP 112 CO 0.04 -0.13 -0.02 0.93 -2.79 0.00 0.00 178.44 176.47 1t3k h GLU 113 N -0.84 -0.05 0.01 2.65 5.08 -1.40 1.55 114.58 121.58 1t3k h GLU 113 Ca -0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1t3k h GLU 113 Cb 0.54 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1t3k h GLU 113 CO 0.08 0.06 -0.01 0.00 -1.00 0.00 0.00 179.01 178.15 1t3k h ALA 114 N 0.80 -0.02 -0.63 3.43 0.00 -0.66 -3.29 119.26 118.89 1t3k h ALA 114 Ca -0.01 -0.18 -0.45 0.00 0.00 0.00 0.00 54.91 54.27 1t3k h ALA 114 Cb 0.14 0.01 -0.40 0.00 0.00 0.00 0.00 17.79 17.53 1t3k h ALA 114 CO 0.01 -0.33 -0.88 0.45 0.00 0.00 0.00 179.25 178.51 1t3k n SER 115 N -4.92 3.97 -0.63 0.00 2.88 0.34 -4.73 113.62 110.52 1t3k n SER 115 Ca -0.08 -3.34 -0.03 0.00 -1.33 0.00 0.00 58.87 54.09 1t3k n SER 115 Cb 0.20 -0.38 -0.03 0.00 -0.75 0.00 0.00 64.21 63.25 1t3k n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1t3k n GLY 116 N -0.69 0.05 0.00 0.46 0.00 0.49 -4.72 105.19 100.78 1t3k n GLY 116 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1t3k n GLY 116 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1t3k n LYS 117 N 0.00 0.00 -1.54 1.61 4.81 0.14 -3.51 118.16 119.67 1t3k n LYS 117 Ca -0.10 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.21 1t3k n LYS 117 Cb 0.41 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.35 1t3k n LYS 117 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1t3k n PRO 118 N -3.53 0.13 -3.46 1.64 -0.04 -1.26 -4.83 135.00 123.65 1t3k n PRO 118 Ca 0.00 -1.50 -0.33 0.00 -0.04 0.00 0.00 63.50 61.63 1t3k n PRO 118 Cb 0.00 -3.72 -0.05 0.00 -0.04 0.00 0.00 33.50 29.69 1t3k n PRO 118 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1t3k s VAL 119 N 16.03 4.97 0.00 0.52 0.11 -1.23 -5.00 120.40 135.80 1t3k s VAL 119 Ca 0.78 0.49 0.00 0.00 -2.93 0.00 0.00 61.98 60.32 1t3k s VAL 119 Cb -0.06 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.14 1t3k s VAL 119 CO 0.17 0.07 0.00 0.00 -3.33 0.00 0.00 175.10 172.01 1t3k n ARG 121 N 0.07 0.00 -0.18 0.00 3.00 -1.26 -4.93 116.66 113.36 1t3k n ARG 121 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.82 1t3k n ARG 121 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.48 1t3k n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1t3k n ALA 123 N -3.10 0.68 -3.65 0.00 0.00 -1.26 -5.08 120.51 108.10 1t3k n ALA 123 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 1t3k n ALA 123 Cb 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.44 1t3k n ALA 123 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1t3k s GLU 124 N -1.67 0.12 -0.29 0.00 -1.05 -1.26 -4.99 118.70 109.57 1t3k s GLU 124 Ca 0.00 0.15 0.00 0.00 -0.15 0.00 0.00 54.97 54.97 1t3k s GLU 124 Cb 0.00 0.06 0.00 0.00 -0.44 0.00 0.00 34.13 33.75 1t3k s GLU 124 CO 0.00 -0.02 0.00 1.33 0.95 0.00 0.00 175.26 177.52 1t3k n VAL 125 N 1.82 -0.06 0.50 1.83 0.24 -1.26 -4.75 118.33 116.67 1t3k n VAL 125 Ca -0.11 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.25 1t3k n VAL 125 Cb 0.57 -0.33 0.05 0.00 -1.47 0.00 0.00 33.84 32.66 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 -1.74 0.77 -0.21 7.34 -0.04 -1.26 -5.03 135.00 134.82 1t3k n PRO 126 Ca -0.03 -1.26 -0.13 0.00 -0.04 0.00 0.00 63.50 62.05 1t3k n PRO 126 Cb 0.27 -1.24 0.12 0.00 -0.04 0.00 0.00 33.50 32.61 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 -2.54 0.09 -1.98 0.00 4.76 -1.26 -4.96 118.16 112.27 1t3k n LYS 128 Ca 0.06 0.02 -0.16 0.00 -2.87 0.00 0.00 58.31 55.36 1t3k n LYS 128 Cb 0.25 -0.98 -0.03 0.00 -1.84 0.00 0.00 35.03 32.43 1t3k n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1t3k n GLY 129 N 3.20 0.45 3.00 0.72 0.00 -1.15 -4.90 105.19 106.51 1t3k n GLY 129 Ca -0.07 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.49 0.04 0.04 1.61 -1.08 -1.07 -3.89 116.67 109.83 1t3k s ASP 130 Ca 0.00 -0.13 0.07 0.00 -0.52 0.00 0.00 52.55 51.96 1t3k s ASP 130 Cb 0.00 0.15 -0.23 0.00 -1.46 0.00 0.00 42.92 41.38 1t3k s ASP 130 CO 0.00 -0.20 0.99 0.00 0.52 0.00 0.00 175.17 176.48