#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t1n s GLU 2 N 0.00 3.46 -0.00 5.55 2.12 -1.26 -4.93 118.70 123.64 1t1n s GLU 2 Ca 0.00 -0.53 -0.01 0.00 0.36 0.00 0.00 54.97 54.79 1t1n s GLU 2 Cb 0.00 -3.83 -0.04 0.00 0.26 0.00 0.00 34.13 30.52 1t1n s GLU 2 CO 0.00 -0.56 0.13 -1.58 -0.54 0.00 0.00 175.26 172.71 1t1n s TRP 3 N 1.97 3.41 0.51 5.30 0.52 -1.26 -5.11 118.94 124.28 1t1n s TRP 3 Ca 0.11 0.28 -0.00 0.00 0.02 0.00 0.00 56.10 56.50 1t1n s TRP 3 Cb -0.17 -1.78 0.01 0.00 -1.15 0.00 0.00 33.47 30.38 1t1n s TRP 3 CO 0.12 0.60 0.74 0.95 0.02 0.00 0.00 176.95 179.38 1t1n s THR 4 N -1.26 3.51 0.25 2.01 -4.23 -1.26 -4.99 115.64 109.67 1t1n s THR 4 Ca 0.25 -0.47 0.10 0.00 -1.18 0.00 0.00 61.69 60.39 1t1n s THR 4 Cb -0.12 -3.32 -0.05 0.00 1.34 0.00 0.00 72.50 70.34 1t1n s THR 4 CO 0.16 -0.24 1.56 0.44 -0.54 0.00 0.00 174.62 176.00 1t1n h ASP 5 N 0.19 0.02 -0.60 3.99 5.19 -1.99 -1.86 116.42 121.36 1t1n h ASP 5 Ca -0.45 -0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 55.86 1t1n h ASP 5 Cb 1.27 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.75 1t1n h ASP 5 CO 0.56 0.69 0.02 0.50 -3.12 0.00 0.00 179.24 177.89 1t1n h LYS 6 N 0.01 1.06 -0.43 3.56 3.64 -2.00 -2.46 116.57 119.94 1t1n h LYS 6 Ca -0.01 -0.32 -0.08 0.00 -1.27 0.00 0.00 60.65 58.97 1t1n h LYS 6 Cb 1.19 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 1t1n h LYS 6 CO 0.09 1.02 -0.06 0.93 -2.27 0.00 0.00 179.45 179.16 1t1n h GLU 7 N 0.97 0.73 -0.63 1.90 5.08 -1.86 -2.08 114.58 118.69 1t1n h GLU 7 Ca 0.18 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1t1n h GLU 7 Cb 0.53 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1t1n h GLU 7 CO 0.03 0.78 0.08 0.00 -1.00 0.00 0.00 179.01 178.90 1t1n h ARG 8 N 0.68 1.05 -0.25 2.33 3.08 -1.20 -1.29 114.38 118.78 1t1n h ARG 8 Ca 0.13 -0.29 -0.16 0.00 0.07 0.00 0.00 59.98 59.72 1t1n h ARG 8 Cb 0.50 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1t1n h ARG 8 CO 0.03 0.99 -0.49 1.03 -1.07 0.00 0.00 179.97 180.45 1t1n h SER 9 N 0.96 0.86 0.30 7.04 0.87 -1.17 -1.94 113.55 120.48 1t1n h SER 9 Ca 0.19 -0.54 -0.01 0.00 -1.23 0.00 0.00 61.79 60.19 1t1n h SER 9 Cb 0.46 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1t1n h SER 9 CO 0.02 1.24 -0.16 0.40 -0.53 0.00 0.00 176.83 177.80 1t1n h ILE 10 N 0.51 0.68 -0.06 2.23 2.04 -1.34 0.80 117.51 122.36 1t1n h ILE 10 Ca 0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 1t1n h ILE 10 Cb 1.10 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1t1n h ILE 10 CO 0.11 0.00 -0.08 0.40 0.00 0.00 0.00 178.15 178.58 1t1n h ILE 11 N -0.42 1.10 0.10 -0.67 2.04 -1.23 -1.22 117.51 117.20 1t1n h ILE 11 Ca -0.04 -0.43 -0.22 0.00 1.00 0.00 0.00 64.86 65.17 1t1n h ILE 11 Cb 0.33 1.14 0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1t1n h ILE 11 CO 0.06 0.13 -0.91 -1.28 0.00 0.00 0.00 178.15 176.15 1t1n h SER 12 N 0.09 0.63 -0.15 1.72 0.87 -1.15 -2.81 113.55 112.75 1t1n h SER 12 Ca 0.02 -0.86 0.03 0.00 -1.23 0.00 0.00 61.79 59.76 1t1n h SER 12 Cb 0.20 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1t1n h SER 12 CO 0.01 1.42 -0.05 -0.78 -0.53 0.00 0.00 176.83 176.90 1t1n h ASP 13 N -0.08 -0.18 -0.08 6.23 3.58 -0.28 -1.41 116.42 124.20 1t1n h ASP 13 Ca -0.14 0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.38 1t1n h ASP 13 Cb 1.65 0.11 -0.05 0.00 1.72 0.00 0.00 39.33 42.76 1t1n h ASP 13 CO 0.17 -0.07 -0.46 0.40 -2.88 0.00 0.00 179.24 176.40 1t1n h ILE 14 N -0.02 0.00 -0.57 2.25 2.04 -1.29 -1.71 117.51 118.20 1t1n h ILE 14 Ca 0.08 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.96 1t1n h ILE 14 Cb 0.14 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.19 1t1n h ILE 14 CO -0.17 0.00 0.37 -0.26 0.00 0.00 0.00 178.15 178.09 1t1n h PHE 15 N -0.52 0.66 0.00 1.37 0.04 -1.44 -1.91 116.94 115.13 1t1n h PHE 15 Ca 0.02 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 1t1n h PHE 15 Cb 0.59 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.52 1t1n h PHE 15 CO -0.54 0.40 -0.03 0.66 -0.60 0.00 0.00 178.31 178.19 1t1n h SER 16 N 0.69 0.00 -0.02 2.17 4.64 -0.39 -2.88 113.55 117.76 1t1n h SER 16 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1t1n h SER 16 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1t1n h SER 16 CO -0.06 0.03 -0.02 1.41 -0.87 0.00 0.00 176.83 177.33 1t1n n HIS 17 N -3.14 0.00 -2.56 4.77 8.25 -0.75 -4.98 115.22 116.81 1t1n n HIS 17 Ca 0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.06 1t1n n HIS 17 Cb 0.34 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.41 1t1n n HIS 17 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1t1n s MET 18 N -1.32 4.63 -0.42 -0.41 1.00 -1.00 -5.03 119.30 116.75 1t1n s MET 18 Ca 0.18 1.67 -0.17 0.00 0.00 0.00 0.00 55.69 57.36 1t1n s MET 18 Cb 0.13 -3.29 0.02 0.00 0.00 0.00 0.00 34.83 31.69 1t1n s MET 18 CO 0.20 0.13 0.45 0.34 0.00 0.00 0.00 175.02 176.14 1t1n s ASP 19 N -0.20 6.20 0.39 3.03 2.15 -1.26 -4.95 116.67 122.04 1t1n s ASP 19 Ca 0.48 -0.64 0.13 0.00 0.43 0.00 0.00 52.55 52.96 1t1n s ASP 19 Cb -0.28 -2.23 0.80 0.00 -0.30 0.00 0.00 42.92 40.90 1t1n s ASP 19 CO 0.34 -0.59 1.87 1.88 -0.17 0.00 0.00 175.17 178.51 1t1n h TYR 20 N 8.73 0.00 0.00 -5.34 -1.99 -1.96 -1.01 116.97 115.40 1t1n h TYR 20 Ca -0.26 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.47 1t1n h TYR 20 Cb 1.11 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.84 1t1n h TYR 20 CO 0.63 0.32 0.00 -0.44 -0.00 0.00 0.00 178.16 178.67 1t1n h ASP 21 N 0.00 0.00 0.00 3.88 3.32 -1.97 -2.54 116.42 119.11 1t1n h ASP 21 Ca -0.00 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.64 1t1n h ASP 21 Cb 0.57 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.06 1t1n h ASP 21 CO 0.04 0.00 -2.36 -0.67 -1.72 0.00 0.00 179.24 174.54 1t1n n ASP 22 N -2.42 1.77 -0.01 6.45 2.03 -0.87 -4.64 116.55 118.86 1t1n n ASP 22 Ca 0.02 0.25 -0.16 0.00 0.52 0.00 0.00 54.79 55.42 1t1n n ASP 22 Cb 0.28 -0.68 -0.05 0.00 -0.72 0.00 0.00 41.12 39.95 1t1n n ASP 22 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1t1n h ILE 23 N -0.78 1.29 -0.19 5.18 1.08 -1.26 -3.19 117.51 119.64 1t1n h ILE 23 Ca -0.61 -1.99 -0.13 0.00 -0.39 0.00 0.00 64.86 61.74 1t1n h ILE 23 Cb 1.57 1.99 0.00 0.00 -3.07 0.00 0.00 36.82 37.31 1t1n h ILE 23 CO -0.34 0.63 -0.39 1.23 -0.69 0.00 0.00 178.15 178.58 1t1n h GLY 24 N 0.67 0.65 1.05 5.37 0.00 -1.67 -0.09 103.07 109.05 1t1n h GLY 24 Ca -0.05 -0.78 -0.09 0.00 0.00 0.00 0.00 47.33 46.41 1t1n h GLY 24 CO 0.16 0.70 -0.00 -2.55 0.00 0.00 0.00 176.54 174.84 1t1n h PRO 25 N 0.26 0.98 -0.42 4.80 0.11 -1.77 -2.17 132.00 133.79 1t1n h PRO 25 Ca 0.00 -0.31 -0.14 0.00 0.11 0.00 0.00 66.00 65.66 1t1n h PRO 25 Cb 0.99 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 1t1n h PRO 25 CO 0.09 0.98 -0.30 0.87 -0.21 0.00 0.00 178.00 179.42 1t1n h LYS 26 N 0.86 0.92 -0.48 1.05 1.57 -1.51 -1.37 116.57 117.61 1t1n h LYS 26 Ca 0.16 -0.44 -0.04 0.00 -1.87 0.00 0.00 60.65 58.46 1t1n h LYS 26 Cb 0.54 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1t1n h LYS 26 CO 0.03 1.09 0.13 0.00 -0.57 0.00 0.00 179.45 180.13 1t1n h ALA 27 N 0.87 0.63 -0.04 3.86 0.00 -0.94 -2.17 119.26 121.46 1t1n h ALA 27 Ca 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1t1n h ALA 27 Cb 0.88 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1t1n h ALA 27 CO 0.08 0.30 -0.13 1.25 0.00 0.00 0.00 179.25 180.76 1t1n h LEU 28 N 0.64 0.18 -0.61 0.00 5.85 -1.42 -1.99 115.31 117.96 1t1n h LEU 28 Ca 0.15 -0.62 0.10 0.00 0.84 0.00 0.00 57.88 58.35 1t1n h LEU 28 Cb 0.31 -0.05 -0.11 0.00 0.37 0.00 0.00 40.66 41.17 1t1n h LEU 28 CO -0.00 0.77 -0.40 0.28 -0.34 0.00 0.00 178.44 178.75 1t1n h SER 29 N -0.40 -1.38 -0.69 1.25 0.02 -1.29 -0.23 113.55 110.83 1t1n h SER 29 Ca -0.00 0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1t1n h SER 29 Cb 0.75 0.65 -0.03 0.00 0.14 0.00 0.00 62.40 63.91 1t1n h SER 29 CO 0.03 -0.32 0.42 -0.09 -1.14 0.00 0.00 176.83 175.73 1t1n h ARG 30 N -0.19 0.94 -0.14 3.45 2.43 -1.42 -1.39 114.38 118.07 1t1n h ARG 30 Ca 0.21 -0.08 -0.14 0.00 -0.81 0.00 0.00 59.98 59.16 1t1n h ARG 30 Cb 0.56 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1t1n h ARG 30 CO -0.71 0.66 -0.50 0.00 -1.51 0.00 0.00 179.97 177.91 1t1n h LEU 32 N 0.29 0.06 0.02 0.00 3.38 -0.05 -1.69 115.31 117.32 1t1n h LEU 32 Ca 0.01 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1t1n h LEU 32 Cb 0.99 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1t1n h LEU 32 CO 0.08 0.70 -0.01 0.58 0.09 0.00 0.00 178.44 179.88 1t1n h VAL 33 N 0.04 1.43 -0.07 1.22 2.07 -1.18 -3.19 116.25 116.57 1t1n h VAL 33 Ca -0.01 -1.92 -0.12 0.00 0.82 0.00 0.00 66.70 65.48 1t1n h VAL 33 Cb 1.16 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 33.54 1t1n h VAL 33 CO 0.09 0.46 -0.48 0.58 0.02 0.00 0.00 177.57 178.24 1t1n h VAL 34 N -0.93 1.34 -2.63 2.57 2.07 -0.60 -3.35 116.25 114.72 1t1n h VAL 34 Ca -0.00 -1.68 -0.60 0.00 0.82 0.00 0.00 66.70 65.24 1t1n h VAL 34 Cb 0.77 1.82 -0.40 0.00 -1.52 0.00 0.00 31.29 31.96 1t1n h VAL 34 CO 0.00 0.49 -0.81 -1.22 0.02 0.00 0.00 177.57 176.05 1t1n n TYR 35 N -3.97 0.85 0.39 1.57 4.01 -0.64 -4.99 117.16 114.38 1t1n n TYR 35 Ca -0.02 -3.73 0.13 0.00 -0.16 0.00 0.00 57.90 54.12 1t1n n TYR 35 Cb 0.52 -0.12 0.52 0.00 -0.31 0.00 0.00 39.34 39.94 1t1n n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1t1n h PRO 36 N 5.45 0.00 0.00 -0.72 0.14 -1.69 -1.18 132.00 134.00 1t1n h PRO 36 Ca 0.21 0.00 -0.01 0.00 0.14 0.00 0.00 66.00 66.35 1t1n h PRO 36 Cb 0.84 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 31.98 1t1n h PRO 36 CO 0.52 0.00 -0.03 0.11 0.14 0.00 0.00 178.00 178.74 1t1n h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 -2.45 115.95 113.23 1t1n h TRP 37 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.89 58.97 1t1n h TRP 37 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.67 1t1n h TRP 37 CO 0.00 0.03 -0.05 1.79 0.09 0.00 0.00 178.44 180.30 1t1n h THR 38 N 0.00 0.17 -0.08 0.12 1.35 -1.53 -2.48 112.91 110.46 1t1n h THR 38 Ca -0.00 -0.50 0.02 0.00 -0.55 0.00 0.00 66.41 65.38 1t1n h THR 38 Cb 0.35 1.42 -0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1t1n h THR 38 CO 0.00 0.05 0.09 1.56 -0.25 0.00 0.00 175.52 176.98 1t1n h GLN 39 N 0.00 0.00 0.00 4.72 4.20 -1.64 -2.83 115.11 119.56 1t1n h GLN 39 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1t1n h GLN 39 Cb 0.41 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1t1n h GLN 39 CO 0.01 0.00 -0.04 -0.09 -0.67 0.00 0.00 178.83 178.04 1t1n h ARG 40 N 0.00 0.00 0.00 1.46 2.43 -1.63 -2.50 114.38 114.13 1t1n h ARG 40 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1t1n h ARG 40 Cb 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1t1n h ARG 40 CO -0.00 0.04 -0.21 0.66 -1.51 0.00 0.00 179.97 178.95 1t1n n TYR 41 N -4.24 0.47 -3.39 2.20 4.01 -1.07 -4.51 117.16 110.64 1t1n n TYR 41 Ca -0.03 0.14 -0.45 0.00 -0.16 0.00 0.00 57.90 57.40 1t1n n TYR 41 Cb 0.12 -0.67 -0.02 0.00 -0.31 0.00 0.00 39.34 38.46 1t1n n TYR 41 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1t1n s PHE 42 N -3.07 3.93 -0.28 -0.72 0.40 -0.94 -5.03 117.98 112.26 1t1n s PHE 42 Ca 0.11 -2.40 -0.29 0.00 -0.60 0.00 0.00 56.93 53.75 1t1n s PHE 42 Cb 0.15 -3.73 -0.00 0.00 0.51 0.00 0.00 43.02 39.95 1t1n s PHE 42 CO 0.62 -0.94 1.32 -1.12 0.70 0.00 0.00 175.22 175.79 1t1n s SER 43 N 1.53 6.68 -0.03 1.36 0.01 -1.26 -4.31 113.70 117.67 1t1n s SER 43 Ca 0.23 1.27 -0.02 0.00 1.31 0.00 0.00 55.95 58.74 1t1n s SER 43 Cb -0.11 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.59 1t1n s SER 43 CO -0.08 -1.07 0.04 0.61 0.41 0.00 0.00 173.24 173.15 1t1n n GLY 44 N 4.28 -3.40 0.00 3.44 0.00 -1.26 -5.03 105.19 103.22 1t1n n GLY 44 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1t1n n GLY 44 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1t1n n PHE 45 N 0.33 0.00 0.00 1.61 3.01 -1.26 -5.11 117.46 116.04 1t1n n PHE 45 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 1t1n n PHE 45 Cb 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 1t1n n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1t1n n GLY 46 N -0.18 0.50 3.55 1.37 0.00 -1.26 -4.78 105.19 104.39 1t1n n GLY 46 Ca 0.00 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 1t1n n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1t1n s ASN 47 N -4.00 6.35 -0.20 1.61 0.01 -1.26 -4.80 114.94 112.64 1t1n s ASN 47 Ca 0.00 -1.03 0.15 0.00 -0.71 0.00 0.00 52.86 51.27 1t1n s ASN 47 Cb 0.00 -2.55 0.66 0.00 0.41 0.00 0.00 41.25 39.77 1t1n s ASN 47 CO 0.00 -1.63 1.57 -0.11 -1.51 0.00 0.00 177.10 175.43 1t1n n LEU 48 N 8.94 4.73 0.00 0.60 7.94 -1.26 -4.46 117.00 133.48 1t1n n LEU 48 Ca 0.18 -2.94 0.00 0.00 -1.11 0.00 0.00 56.01 52.14 1t1n n LEU 48 Cb 0.50 -0.60 0.00 0.00 0.53 0.00 0.00 43.42 43.85 1t1n n LEU 48 CO 0.67 0.66 0.00 -1.22 -1.11 0.00 0.00 177.39 176.40 1t1n n TYR 49 N 0.07 0.00 -1.37 1.96 4.02 -1.26 -4.68 117.16 115.89 1t1n n TYR 49 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.13 1t1n n TYR 49 Cb 1.02 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.34 1t1n n TYR 49 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1t1n n ASN 50 N 0.00 0.00 0.04 7.72 6.94 -1.26 -4.98 115.26 123.72 1t1n n ASN 50 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 54.58 54.46 1t1n n ASN 50 Cb 0.00 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.29 1t1n n ASN 50 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1t1n h ALA 51 N -1.30 0.45 -0.01 -2.53 0.00 -2.00 -3.29 119.26 110.58 1t1n h ALA 51 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1t1n h ALA 51 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1t1n h ALA 51 CO 0.00 1.32 -0.08 0.39 0.00 0.00 0.00 179.25 180.87 1t1n n GLU 52 N -3.29 1.35 0.00 0.00 -0.58 -1.26 -2.31 120.64 114.55 1t1n n GLU 52 Ca -0.09 -0.77 0.00 0.00 -0.42 0.00 0.00 57.16 55.88 1t1n n GLU 52 Cb 1.00 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.39 1t1n n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1t1n n GLY 53 N 1.23 -0.99 0.28 0.62 0.00 -1.24 -3.72 105.19 101.36 1t1n n GLY 53 Ca 0.17 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.37 1t1n n GLY 53 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1t1n n ILE 54 N -1.60 -0.35 0.20 -0.61 5.41 -1.24 -1.26 119.36 119.91 1t1n n ILE 54 Ca 0.00 1.77 0.05 0.00 1.00 0.00 0.00 62.75 65.56 1t1n n ILE 54 Cb 0.00 -2.70 0.41 0.00 -0.71 0.00 0.00 39.64 36.65 1t1n n ILE 54 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 1t1n h MET 55 N 0.00 0.00 0.00 0.38 4.05 -1.59 -3.03 114.93 114.74 1t1n h MET 55 Ca 0.59 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 60.01 1t1n h MET 55 Cb 1.38 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.18 1t1n h MET 55 CO -0.72 0.34 -0.00 -1.13 0.23 0.00 0.00 176.91 175.62 1t1n n SER 56 N -3.89 2.09 -4.63 1.39 3.41 -0.39 -4.98 113.62 106.62 1t1n n SER 56 Ca -0.02 -2.33 -0.43 0.00 -0.26 0.00 0.00 58.87 55.84 1t1n n SER 56 Cb 0.41 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.20 1t1n n SER 56 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1t1n s ASN 57 N -1.57 6.43 0.56 4.04 3.84 -0.41 -4.90 114.94 122.92 1t1n s ASN 57 Ca 0.10 1.55 0.32 0.00 0.21 0.00 0.00 52.86 55.04 1t1n s ASN 57 Cb 0.09 -2.53 1.67 0.00 -0.55 0.00 0.00 41.25 39.92 1t1n s ASN 57 CO 0.01 -1.23 2.13 0.00 -2.79 0.00 0.00 177.10 175.22 1t1n h ALA 58 N 10.49 1.19 -0.04 1.71 0.00 -1.91 -2.22 119.26 128.48 1t1n h ALA 58 Ca -0.32 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.31 1t1n h ALA 58 Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1t1n h ALA 58 CO 1.01 0.08 -0.86 -0.91 0.00 0.00 0.00 179.25 178.57 1t1n h ASN 59 N 0.00 0.55 -0.32 0.00 2.35 -1.90 -1.22 115.58 115.04 1t1n h ASN 59 Ca -0.00 -0.41 -0.14 0.00 -0.55 0.00 0.00 56.30 55.21 1t1n h ASN 59 Cb 0.28 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 1t1n h ASN 59 CO 0.01 1.19 -0.33 0.58 -1.65 0.00 0.00 177.43 177.22 1t1n h VAL 60 N 0.27 1.29 0.80 2.81 2.07 -1.81 -2.26 116.25 119.41 1t1n h VAL 60 Ca -0.06 -1.50 -0.04 0.00 0.82 0.00 0.00 66.70 65.91 1t1n h VAL 60 Cb 1.48 1.52 0.01 0.00 -1.52 0.00 0.00 31.29 32.78 1t1n h VAL 60 CO 0.15 0.49 -0.39 0.00 0.02 0.00 0.00 177.57 177.84 1t1n h ALA 61 N 0.72 -1.08 -0.87 1.67 0.00 -1.33 -0.04 119.26 118.33 1t1n h ALA 61 Ca 0.05 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 54.88 1t1n h ALA 61 Cb 0.91 0.42 -0.16 0.00 0.00 0.00 0.00 17.79 18.96 1t1n h ALA 61 CO 0.08 -1.10 -0.29 0.00 0.00 0.00 0.00 179.25 177.94 1t1n h ALA 62 N -0.88 0.36 0.00 0.00 0.00 -1.27 0.40 119.26 117.85 1t1n h ALA 62 Ca -0.11 0.30 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1t1n h ALA 62 Cb 0.83 0.79 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1t1n h ALA 62 CO 0.18 -0.51 -0.18 1.25 0.00 0.00 0.00 179.25 179.99 1t1n h HIS 63 N -0.03 0.00 -0.34 0.00 2.76 -1.15 -2.81 115.15 113.59 1t1n h HIS 63 Ca 0.37 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.41 1t1n h HIS 63 Cb 0.62 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 1t1n h HIS 63 CO -0.74 0.18 -0.33 0.78 -1.30 0.00 0.00 177.93 176.52 1t1n h GLY 64 N 1.75 0.81 1.04 5.26 0.00 0.18 -2.70 103.07 109.40 1t1n h GLY 64 Ca -0.00 -0.77 -0.07 0.00 0.00 0.00 0.00 47.33 46.49 1t1n h GLY 64 CO 0.02 0.70 0.10 -2.22 0.00 0.00 0.00 176.54 175.14 1t1n h ILE 65 N 0.63 1.26 -0.18 2.60 2.04 -1.21 -2.50 117.51 120.15 1t1n h ILE 65 Ca 0.07 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 1t1n h ILE 65 Cb 0.86 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1t1n h ILE 65 CO 0.08 0.37 0.06 0.11 0.00 0.00 0.00 178.15 178.77 1t1n h LYS 66 N 0.90 0.24 -0.28 2.37 1.57 -1.34 -1.61 116.57 118.43 1t1n h LYS 66 Ca 0.18 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.78 1t1n h LYS 66 Cb 0.42 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1t1n h LYS 66 CO 0.01 0.21 -0.47 0.28 -0.57 0.00 0.00 179.45 178.91 1t1n h VAL 67 N 0.24 1.29 -0.12 0.50 2.07 -1.13 -1.46 116.25 117.65 1t1n h VAL 67 Ca 0.06 -1.67 -0.16 0.00 0.82 0.00 0.00 66.70 65.76 1t1n h VAL 67 Cb 0.06 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1t1n h VAL 67 CO -0.01 0.54 -0.59 -0.07 0.02 0.00 0.00 177.57 177.46 1t1n h LEU 68 N 0.59 0.44 -1.30 2.57 4.07 -1.15 -2.61 115.31 117.91 1t1n h LEU 68 Ca 0.03 -0.25 -0.07 0.00 0.08 0.00 0.00 57.88 57.67 1t1n h LEU 68 Cb 1.04 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.64 1t1n h LEU 68 CO 0.10 0.93 -0.32 0.45 -1.08 0.00 0.00 178.44 178.52 1t1n h HIS 69 N 0.29 0.00 0.00 1.13 3.86 -1.25 -2.16 115.15 117.02 1t1n h HIS 69 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1t1n h HIS 69 Cb 1.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.59 1t1n h HIS 69 CO 0.03 0.32 0.00 0.78 0.86 0.00 0.00 177.93 179.93 1t1n h GLY 70 N 1.31 0.00 1.25 2.45 0.00 -0.90 -3.10 103.07 104.09 1t1n h GLY 70 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.05 1t1n h GLY 70 CO 0.04 0.00 -1.52 1.41 0.00 0.00 0.00 176.54 176.47 1t1n h LEU 71 N 0.00 0.07 -1.00 3.11 3.38 -1.17 -3.33 115.31 116.37 1t1n h LEU 71 Ca 0.00 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 57.92 1t1n h LEU 71 Cb 0.65 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 1t1n h LEU 71 CO 0.00 1.11 0.65 -0.78 0.09 0.00 0.00 178.44 179.50 1t1n h ASP 72 N 0.01 1.02 0.17 -0.43 1.82 -1.33 -1.13 116.42 116.54 1t1n h ASP 72 Ca -0.22 0.02 -0.07 0.00 -0.39 0.00 0.00 57.03 56.37 1t1n h ASP 72 Cb 1.95 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 41.75 1t1n h ASP 72 CO 0.10 0.63 -0.27 -0.09 -1.61 0.00 0.00 179.24 178.00 1t1n h ARG 73 N 1.14 0.18 0.00 0.28 2.43 -1.66 -2.63 114.38 114.12 1t1n h ARG 73 Ca 0.45 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.43 1t1n h ARG 73 Cb 0.23 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1t1n h ARG 73 CO -0.19 0.45 -0.61 0.78 -1.51 0.00 0.00 179.97 178.89 1t1n h GLY 74 N 0.97 0.00 1.55 2.80 0.00 -1.38 -3.12 103.07 103.89 1t1n h GLY 74 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.25 1t1n h GLY 74 CO 0.04 0.00 -0.29 1.98 0.00 0.00 0.00 176.54 178.27 1t1n h MET 75 N 0.00 0.52 0.00 4.80 1.85 -1.18 -2.69 114.93 118.23 1t1n h MET 75 Ca -0.01 -0.22 0.00 0.00 -0.61 0.00 0.00 59.70 58.86 1t1n h MET 75 Cb 1.45 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 33.46 1t1n h MET 75 CO 0.07 0.76 0.00 1.63 -0.40 0.00 0.00 176.91 178.97 1t1n n LYS 76 N -4.09 0.10 -3.10 0.39 5.02 -1.01 -4.15 118.16 111.32 1t1n n LYS 76 Ca -0.01 0.10 -0.16 0.00 -2.02 0.00 0.00 58.31 56.21 1t1n n LYS 76 Cb 0.44 -1.62 -0.02 0.00 -0.02 0.00 0.00 35.03 33.81 1t1n n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1t1n n ASN 77 N -1.79 0.84 0.23 4.39 2.85 -1.03 -4.99 115.26 115.77 1t1n n ASN 77 Ca 0.06 -2.98 0.16 0.00 -0.11 0.00 0.00 54.58 51.71 1t1n n ASN 77 Cb 0.36 -0.55 0.68 0.00 1.24 0.00 0.00 39.78 41.51 1t1n n ASN 77 CO 0.00 0.00 0.00 0.24 -2.11 0.00 0.00 177.26 175.39 1t1n h MET 78 N 3.00 0.00 -0.00 1.20 2.86 -1.68 -2.39 114.93 117.92 1t1n h MET 78 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1t1n h MET 78 Cb 1.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1t1n h MET 78 CO 0.49 0.00 -0.39 -0.25 1.06 0.00 0.00 176.91 177.82 1t1n n ASP 79 N -2.78 0.40 -2.72 1.22 8.00 -1.26 -4.00 116.55 115.41 1t1n n ASP 79 Ca 0.01 -0.11 -0.04 0.00 0.71 0.00 0.00 54.79 55.35 1t1n n ASP 79 Cb 0.24 0.09 0.04 0.00 -0.02 0.00 0.00 41.12 41.48 1t1n n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1t1n n ASN 80 N -1.49 2.01 0.15 -2.24 5.15 -0.92 -4.91 115.26 113.01 1t1n n ASN 80 Ca 0.06 -2.33 -0.14 0.00 -0.60 0.00 0.00 54.58 51.57 1t1n n ASN 80 Cb 0.34 -0.47 -0.07 0.00 -0.53 0.00 0.00 39.78 39.05 1t1n n ASN 80 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1t1n h ILE 81 N 4.86 0.69 -0.87 -1.44 2.04 -1.64 -2.77 117.51 118.39 1t1n h ILE 81 Ca -0.07 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.02 1t1n h ILE 81 Cb 1.29 0.69 -0.15 0.00 -0.74 0.00 0.00 36.82 37.91 1t1n h ILE 81 CO 0.30 0.00 0.11 0.00 0.00 0.00 0.00 178.15 178.56 1t1n h ALA 82 N 0.42 1.10 0.00 1.87 0.00 -1.90 -1.73 119.26 119.02 1t1n h ALA 82 Ca -0.02 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1t1n h ALA 82 Cb 0.30 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1t1n h ALA 82 CO 0.01 -0.48 -0.85 -0.44 0.00 0.00 0.00 179.25 177.49 1t1n h ASP 83 N 0.12 0.00 0.67 0.00 3.32 -1.93 -3.16 116.42 115.43 1t1n h ASP 83 Ca 0.52 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.49 1t1n h ASP 83 Cb 1.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1t1n h ASP 83 CO -0.73 0.04 0.00 0.00 -1.72 0.00 0.00 179.24 176.83 1t1n n ALA 84 N -2.06 2.03 -1.15 3.45 0.00 -0.66 -3.45 120.51 118.67 1t1n n ALA 84 Ca 0.01 -0.08 0.04 0.00 0.00 0.00 0.00 53.44 53.41 1t1n n ALA 84 Cb 0.51 -1.35 0.23 0.00 0.00 0.00 0.00 19.45 18.84 1t1n n ALA 84 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1t1n n TYR 85 N -1.45 0.93 -0.02 0.00 4.01 -1.16 -4.64 117.16 114.82 1t1n n TYR 85 Ca 0.07 -1.13 -0.17 0.00 -0.16 0.00 0.00 57.90 56.51 1t1n n TYR 85 Cb 0.24 -0.36 -0.08 0.00 -0.31 0.00 0.00 39.34 38.82 1t1n n TYR 85 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1t1n h THR 86 N 1.37 1.33 0.34 -0.72 2.02 -1.70 0.19 112.91 115.74 1t1n h THR 86 Ca 0.08 -1.89 -0.01 0.00 0.77 0.00 0.00 66.41 65.36 1t1n h THR 86 Cb 1.49 2.13 -0.03 0.00 -1.74 0.00 0.00 68.15 70.01 1t1n h THR 86 CO 0.27 0.58 -0.46 -2.24 0.37 0.00 0.00 175.52 174.03 1t1n h ASP 87 N 0.27 -1.31 -0.33 4.18 2.03 -1.87 -1.39 116.42 118.00 1t1n h ASP 87 Ca -0.04 0.12 -0.00 0.00 -0.73 0.00 0.00 57.03 56.37 1t1n h ASP 87 Cb 1.26 0.45 -0.02 0.00 -0.83 0.00 0.00 39.33 40.19 1t1n h ASP 87 CO 0.13 -0.57 0.19 -0.07 -1.03 0.00 0.00 179.24 177.88 1t1n h LEU 88 N -0.83 0.40 -2.06 0.15 3.38 -1.87 -1.90 115.31 112.58 1t1n h LEU 88 Ca -0.04 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 57.96 1t1n h LEU 88 Cb 0.75 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1t1n h LEU 88 CO -0.12 0.36 0.33 -1.28 0.09 0.00 0.00 178.44 177.81 1t1n h SER 89 N 0.41 0.00 0.14 -0.43 0.87 -0.57 0.16 113.55 114.14 1t1n h SER 89 Ca 0.12 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.35 1t1n h SER 89 Cb 0.04 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1t1n h SER 89 CO -0.02 0.00 -1.67 0.00 -0.53 0.00 0.00 176.83 174.61 1t1n h THR 90 N 0.00 0.90 -0.18 2.23 1.03 -0.48 -2.03 112.91 114.38 1t1n h THR 90 Ca 0.18 -2.43 -0.00 0.00 -0.01 0.00 0.00 66.41 64.15 1t1n h THR 90 Cb 0.83 2.68 -0.01 0.00 -1.07 0.00 0.00 68.15 70.58 1t1n h THR 90 CO -0.00 0.80 0.10 0.25 -0.01 0.00 0.00 175.52 176.65 1t1n h LEU 91 N -0.08 0.22 -0.32 0.00 5.85 -1.20 -2.49 115.31 117.29 1t1n h LEU 91 Ca -0.35 -0.08 -0.20 0.00 0.84 0.00 0.00 57.88 58.10 1t1n h LEU 91 Cb 1.94 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.92 1t1n h LEU 91 CO 0.11 0.23 -0.78 0.45 -0.34 0.00 0.00 178.44 178.11 1t1n h HIS 92 N 0.19 0.64 -0.55 1.25 3.86 -1.05 -0.20 115.15 119.29 1t1n h HIS 92 Ca 0.06 -0.30 -0.38 0.00 -1.16 0.00 0.00 60.37 58.60 1t1n h HIS 92 Cb 0.06 -0.09 -0.25 0.00 1.06 0.00 0.00 27.41 28.19 1t1n h HIS 92 CO -0.04 1.08 -0.35 0.43 0.86 0.00 0.00 177.93 179.91 1t1n n SER 93 N -3.83 4.06 0.00 2.45 7.64 -0.76 -2.08 113.62 121.10 1t1n n SER 93 Ca -0.05 -3.80 0.00 0.00 1.01 0.00 0.00 58.87 56.03 1t1n n SER 93 Cb 0.74 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1t1n n SER 93 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1t1n n GLU 94 N -0.92 0.00 0.00 1.43 4.07 -0.95 -4.55 120.64 119.71 1t1n n GLU 94 Ca 0.39 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.49 1t1n n GLU 94 Cb 0.91 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.29 1t1n n GLU 94 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1t1n n LYS 95 N 0.00 2.96 -0.01 5.31 0.00 -0.53 -4.77 118.16 121.11 1t1n n LYS 95 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 58.31 58.31 1t1n n LYS 95 Cb 0.01 -0.76 -0.03 0.00 0.00 0.00 0.00 35.03 34.25 1t1n n LYS 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1t1n n LEU 96 N -1.20 0.00 -2.47 3.14 4.32 -0.20 -5.02 117.00 115.58 1t1n n LEU 96 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 56.01 55.78 1t1n n LEU 96 Cb 0.00 0.06 0.00 0.00 -1.62 0.00 0.00 43.42 41.86 1t1n n LEU 96 CO 0.00 0.06 -0.18 1.41 -1.22 0.00 0.00 177.39 177.45 1t1n n HIS 97 N -1.95 -1.23 -1.93 -1.77 8.25 -1.15 -4.95 115.22 110.49 1t1n n HIS 97 Ca -0.04 0.14 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 1t1n n HIS 97 Cb 0.42 -4.02 -0.03 0.00 1.12 0.00 0.00 29.99 27.49 1t1n n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1t1n s VAL 98 N -3.05 3.37 0.17 1.59 1.01 -0.88 -4.94 120.40 117.67 1t1n s VAL 98 Ca 0.08 0.54 -0.32 0.00 0.00 0.00 0.00 61.98 62.29 1t1n s VAL 98 Cb -0.04 -3.35 -0.11 0.00 0.00 0.00 0.00 36.38 32.89 1t1n s VAL 98 CO 0.10 -0.04 1.65 -0.62 0.00 0.00 0.00 175.10 176.20 1t1n s ASP 99 N 3.35 6.50 0.47 3.32 -1.08 -1.26 -4.74 116.67 123.23 1t1n s ASP 99 Ca 0.76 2.71 0.34 0.00 -0.52 0.00 0.00 52.55 55.84 1t1n s ASP 99 Cb -0.36 -2.59 1.49 0.00 -1.46 0.00 0.00 42.92 39.99 1t1n s ASP 99 CO 0.32 -0.90 1.64 1.55 0.52 0.00 0.00 175.17 178.30 1t1n h PRO 100 N 7.08 0.07 0.00 4.34 0.13 -1.96 0.13 132.00 141.80 1t1n h PRO 100 Ca -0.43 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1t1n h PRO 100 Cb 1.20 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1t1n h PRO 100 CO 0.93 0.05 -0.04 -0.44 -0.23 0.00 0.00 178.00 178.27 1t1n h ASP 101 N 0.07 0.00 1.03 1.44 5.19 -2.02 -2.34 116.42 119.80 1t1n h ASP 101 Ca 0.81 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 57.14 1t1n h ASP 101 Cb 2.74 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 42.24 1t1n h ASP 101 CO -0.29 0.04 -0.39 0.78 -3.12 0.00 0.00 179.24 176.26 1t1n h ASN 102 N 0.00 0.00 -0.08 6.45 2.35 -1.09 -2.91 115.58 120.29 1t1n h ASN 102 Ca -0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 1t1n h ASN 102 Cb 0.11 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1t1n h ASN 102 CO 0.01 0.39 -0.22 -0.26 -1.65 0.00 0.00 177.43 175.70 1t1n h PHE 103 N 0.00 0.55 -0.64 1.19 0.04 -1.57 -2.12 116.94 114.39 1t1n h PHE 103 Ca -0.00 -0.11 -0.05 0.00 2.80 0.00 0.00 57.97 60.61 1t1n h PHE 103 Cb 1.01 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.99 1t1n h PHE 103 CO 0.00 0.68 0.22 -0.22 -0.60 0.00 0.00 178.31 178.39 1t1n h LYS 104 N 0.44 0.96 -0.07 1.51 3.11 -1.60 -1.13 116.57 119.80 1t1n h LYS 104 Ca 0.07 -0.18 -0.01 0.00 -2.81 0.00 0.00 60.65 57.72 1t1n h LYS 104 Cb 0.62 -0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 31.70 1t1n h LYS 104 CO 0.04 0.82 -0.00 -0.07 -2.81 0.00 0.00 179.45 177.43 1t1n h LEU 105 N 0.94 0.12 -0.61 5.20 3.38 -1.22 -1.75 115.31 121.37 1t1n h LEU 105 Ca 0.21 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1t1n h LEU 105 Cb 0.24 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1t1n h LEU 105 CO -0.01 0.41 0.30 0.25 0.09 0.00 0.00 178.44 179.47 1t1n h LEU 106 N -0.17 0.79 -1.30 1.67 5.85 -1.33 -1.38 115.31 119.44 1t1n h LEU 106 Ca 0.02 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.64 1t1n h LEU 106 Cb 0.35 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1t1n h LEU 106 CO 0.00 0.70 0.49 -1.28 -0.34 0.00 0.00 178.44 178.01 1t1n h SER 107 N 0.83 0.79 -0.38 1.25 0.87 -1.21 0.17 113.55 115.87 1t1n h SER 107 Ca 0.21 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.66 1t1n h SER 107 Cb 0.11 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 1t1n h SER 107 CO -0.03 0.55 -0.10 0.44 -0.53 0.00 0.00 176.83 177.17 1t1n h ASP 108 N 0.92 0.81 -0.24 6.23 3.32 -0.39 -2.39 116.42 124.68 1t1n h ASP 108 Ca 0.29 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 1t1n h ASP 108 Cb 0.02 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1t1n h ASP 108 CO -0.08 0.93 -0.23 0.00 -1.72 0.00 0.00 179.24 178.15 1t1n h ILE 110 N 0.62 1.12 -0.58 0.00 2.04 -0.65 -1.71 117.51 118.35 1t1n h ILE 110 Ca 0.09 -0.23 0.04 0.00 1.00 0.00 0.00 64.86 65.75 1t1n h ILE 110 Cb 0.71 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1t1n h ILE 110 CO 0.05 0.12 0.33 0.74 0.00 0.00 0.00 178.15 179.39 1t1n h THR 111 N 0.62 1.01 -0.58 -0.27 2.02 -1.28 0.19 112.91 114.63 1t1n h THR 111 Ca 0.17 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 1t1n h THR 111 Cb -0.06 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 1t1n h THR 111 CO -0.04 0.12 0.17 0.40 0.37 0.00 0.00 175.52 176.54 1t1n h ILE 112 N 0.64 1.24 -0.38 3.11 2.04 -1.20 0.34 117.51 123.30 1t1n h ILE 112 Ca 0.25 -0.84 -0.13 0.00 1.00 0.00 0.00 64.86 65.14 1t1n h ILE 112 Cb 0.09 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1t1n h ILE 112 CO -0.13 0.31 -0.26 0.58 0.00 0.00 0.00 178.15 178.65 1t1n h VAL 113 N 0.82 1.28 -0.35 1.67 2.07 -1.10 -2.46 116.25 118.19 1t1n h VAL 113 Ca 0.18 -1.41 -0.07 0.00 0.82 0.00 0.00 66.70 66.22 1t1n h VAL 113 Cb 0.30 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1t1n h VAL 113 CO -0.00 0.47 -0.07 0.25 0.02 0.00 0.00 177.57 178.24 1t1n h LEU 114 N 0.66 0.55 -1.38 2.57 5.85 -0.43 -2.19 115.31 120.93 1t1n h LEU 114 Ca 0.08 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1t1n h LEU 114 Cb 0.83 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1t1n h LEU 114 CO 0.07 0.66 -0.21 0.00 -0.34 0.00 0.00 178.44 178.63 1t1n h ALA 115 N 1.40 1.49 0.00 1.25 0.00 -0.07 -1.87 119.26 121.46 1t1n h ALA 115 Ca 0.10 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1t1n h ALA 115 Cb 0.45 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1t1n h ALA 115 CO 0.02 0.37 -0.40 0.00 0.00 0.00 0.00 179.25 179.24 1t1n h ALA 116 N 1.66 0.79 0.01 0.00 0.00 -1.10 -1.95 119.26 118.66 1t1n h ALA 116 Ca 0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1t1n h ALA 116 Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1t1n h ALA 116 CO 0.03 0.50 -0.06 -0.22 0.00 0.00 0.00 179.25 179.50 1t1n h LYS 117 N 0.00 0.02 0.00 0.00 3.64 -1.15 -3.37 116.57 115.72 1t1n h LYS 117 Ca -0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1t1n h LYS 117 Cb 1.20 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1t1n h LYS 117 CO 0.05 0.97 -0.05 0.52 -2.27 0.00 0.00 179.45 178.67 1t1n h MET 118 N -0.91 0.00 0.00 1.90 2.86 -1.41 -3.49 114.93 113.88 1t1n h MET 118 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1t1n h MET 118 Cb 1.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1t1n h MET 118 CO 0.01 0.05 0.00 0.41 1.06 0.00 0.00 176.91 178.44 1t1n n GLY 119 N 0.72 3.55 0.23 8.32 0.00 -0.74 -2.13 105.19 115.13 1t1n n GLY 119 Ca 0.03 -0.09 0.16 0.00 0.00 0.00 0.00 46.02 46.11 1t1n n GLY 119 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1t1n h HIS 120 N 0.00 0.00 0.00 1.61 3.86 -1.94 -1.56 115.15 117.12 1t1n h HIS 120 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1t1n h HIS 120 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1t1n h HIS 120 CO 0.00 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.79 1t1n h ALA 121 N 2.06 1.00 -0.64 2.45 0.00 -1.83 -3.34 119.26 118.97 1t1n h ALA 121 Ca 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 54.91 54.17 1t1n h ALA 121 Cb 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.88 1t1n h ALA 121 CO 0.00 0.00 2.35 0.34 0.00 0.00 0.00 179.25 181.94 1t1n n PHE 122 N -2.75 3.11 -1.28 0.00 7.35 -0.59 -4.90 117.46 118.40 1t1n n PHE 122 Ca 0.02 -2.84 -0.29 0.00 -0.76 0.00 0.00 57.45 53.58 1t1n n PHE 122 Cb 0.32 -2.13 0.17 0.00 0.35 0.00 0.00 39.48 38.20 1t1n n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1t1n s THR 123 N 1.20 1.96 0.16 -2.13 -4.23 -1.26 -4.66 115.64 106.69 1t1n s THR 123 Ca 0.42 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.77 1t1n s THR 123 Cb 0.11 -2.58 0.03 0.00 1.34 0.00 0.00 72.50 71.40 1t1n s THR 123 CO -0.02 0.00 1.77 0.00 -0.54 0.00 0.00 174.62 175.83 1t1n h ALA 124 N -1.87 0.49 -0.28 3.99 0.00 -1.94 0.85 119.26 120.49 1t1n h ALA 124 Ca -0.53 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 1t1n h ALA 124 Cb 1.33 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1t1n h ALA 124 CO 0.56 -0.18 0.06 1.49 0.00 0.00 0.00 179.25 181.19 1t1n h GLU 125 N 0.39 0.46 -0.37 0.00 4.81 -1.98 0.43 114.58 118.31 1t1n h GLU 125 Ca 0.17 -0.11 0.07 0.00 -0.13 0.00 0.00 59.36 59.36 1t1n h GLU 125 Cb 0.09 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.34 1t1n h GLU 125 CO -0.13 0.55 -0.07 1.15 -0.73 0.00 0.00 179.01 179.78 1t1n h THR 126 N 0.29 0.65 -0.86 0.32 2.02 -1.79 -1.41 112.91 112.13 1t1n h THR 126 Ca 0.09 -0.01 0.03 0.00 0.77 0.00 0.00 66.41 67.29 1t1n h THR 126 Cb 0.30 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 1t1n h THR 126 CO 0.00 0.00 0.57 -0.61 0.37 0.00 0.00 175.52 175.85 1t1n h GLN 127 N 0.02 1.07 -0.71 6.66 4.15 0.13 -1.94 115.11 124.50 1t1n h GLN 127 Ca 0.18 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.48 1t1n h GLN 127 Cb 0.27 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 1t1n h GLN 127 CO -0.36 0.71 0.24 0.78 -1.93 0.00 0.00 178.83 178.27 1t1n h GLY 128 N 1.11 1.15 0.53 2.39 0.00 0.90 -0.81 103.07 108.33 1t1n h GLY 128 Ca 0.33 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1t1n h GLY 128 CO -0.09 0.61 -0.03 0.00 0.00 0.00 0.00 176.54 177.03 1t1n h ALA 129 N 1.22 -0.08 -0.87 3.60 0.00 -1.05 -2.45 119.26 119.63 1t1n h ALA 129 Ca 0.23 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.00 1t1n h ALA 129 Cb 0.26 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1t1n h ALA 129 CO -0.01 -0.31 0.57 0.35 0.00 0.00 0.00 179.25 179.85 1t1n h PHE 130 N -0.55 0.96 -0.31 0.00 3.57 -1.26 -0.73 116.94 118.62 1t1n h PHE 130 Ca -0.01 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 1t1n h PHE 130 Cb 0.48 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1t1n h PHE 130 CO 0.08 0.47 -0.14 0.37 -2.23 0.00 0.00 178.31 176.86 1t1n h GLN 131 N 0.92 0.64 -0.70 1.11 5.75 -1.19 -1.49 115.11 120.15 1t1n h GLN 131 Ca 0.39 -0.27 0.04 0.00 -0.15 0.00 0.00 58.65 58.66 1t1n h GLN 131 Cb 0.31 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.80 1t1n h GLN 131 CO -0.16 0.86 0.42 -0.22 -2.65 0.00 0.00 178.83 177.08 1t1n h LYS 132 N 0.40 0.79 0.42 1.69 3.64 -0.96 -0.12 116.57 122.42 1t1n h LYS 132 Ca 0.07 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1t1n h LYS 132 Cb 0.66 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 1t1n h LYS 132 CO 0.04 0.52 -0.45 0.35 -2.27 0.00 0.00 179.45 177.64 1t1n h PHE 133 N 0.81 -1.25 -0.58 1.91 3.57 -0.84 -2.29 116.94 118.27 1t1n h PHE 133 Ca 0.29 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.80 1t1n h PHE 133 Cb 0.08 0.49 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 1t1n h PHE 133 CO -0.05 -0.61 0.33 -0.07 -2.23 0.00 0.00 178.31 175.69 1t1n h LEU 134 N -0.89 0.70 -1.45 0.59 3.38 -1.18 -0.18 115.31 116.27 1t1n h LEU 134 Ca -0.04 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1t1n h LEU 134 Cb 0.80 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1t1n h LEU 134 CO -0.08 0.55 -0.19 0.00 0.09 0.00 0.00 178.44 178.81 1t1n h ALA 135 N 1.57 1.55 -0.17 1.53 0.00 -0.93 0.36 119.26 123.17 1t1n h ALA 135 Ca 0.21 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1t1n h ALA 135 Cb -0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1t1n h ALA 135 CO -0.04 0.33 -0.23 0.00 0.00 0.00 0.00 179.25 179.31 1t1n h ALA 136 N 1.70 0.26 -0.58 0.00 0.00 -0.49 -1.02 119.26 119.13 1t1n h ALA 136 Ca 0.02 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1t1n h ALA 136 Cb 0.40 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1t1n h ALA 136 CO 0.03 0.22 0.23 0.28 0.00 0.00 0.00 179.25 180.00 1t1n h VAL 137 N 0.10 1.23 -0.63 0.00 2.07 -0.71 -0.65 116.25 117.64 1t1n h VAL 137 Ca 0.02 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 1t1n h VAL 137 Cb 0.80 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1t1n h VAL 137 CO 0.05 0.28 0.23 0.58 0.02 0.00 0.00 177.57 178.73 1t1n h VAL 138 N 0.80 1.24 -0.61 2.57 2.07 -0.30 -1.04 116.25 120.98 1t1n h VAL 138 Ca 0.19 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 66.96 1t1n h VAL 138 Cb 0.21 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1t1n h VAL 138 CO -0.01 0.30 0.37 -1.28 0.02 0.00 0.00 177.57 176.97 1t1n h SER 139 N 0.90 0.59 0.83 0.57 0.87 -0.82 -2.39 113.55 114.10 1t1n h SER 139 Ca 0.21 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1t1n h SER 139 Cb 0.24 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1t1n h SER 139 CO -0.01 0.41 -0.07 0.00 -0.53 0.00 0.00 176.83 176.63 1t1n h ALA 140 N 1.27 1.04 0.00 6.23 0.00 -0.60 -2.51 119.26 124.69 1t1n h ALA 140 Ca 0.25 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 1t1n h ALA 140 Cb 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1t1n h ALA 140 CO -0.11 0.09 -0.63 -0.07 0.00 0.00 0.00 179.25 178.53 1t1n h LEU 141 N 0.00 0.00 0.00 0.00 3.38 -0.68 -3.34 115.31 114.67 1t1n h LEU 141 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1t1n h LEU 141 Cb 0.51 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1t1n h LEU 141 CO 0.01 0.54 -2.09 0.61 0.09 0.00 0.00 178.44 177.60 1t1n n GLY 142 N 1.25 -1.03 0.16 0.83 0.00 -1.13 -4.38 105.19 100.89 1t1n n GLY 142 Ca 0.01 -0.36 0.15 0.00 0.00 0.00 0.00 46.02 45.81 1t1n n GLY 142 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1t1n n LYS 143 N -2.61 -0.02 0.00 1.61 4.81 -0.95 -2.58 118.16 118.41 1t1n n LYS 143 Ca -0.19 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 1t1n n LYS 143 Cb 0.91 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.96 1t1n n LYS 143 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1t1n n GLN 144 N -3.69 0.00 -4.65 1.64 1.13 -1.26 -4.81 117.38 105.74 1t1n n GLN 144 Ca 0.16 0.48 -0.31 0.00 -1.94 0.00 0.00 57.00 55.39 1t1n n GLN 144 Cb 0.58 -1.39 -0.12 0.00 0.11 0.00 0.00 30.24 29.42 1t1n n GLN 144 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1t1n s TYR 145 N -2.54 2.59 -1.04 1.08 2.02 -1.07 -5.16 117.35 113.23 1t1n s TYR 145 Ca 0.00 -0.24 0.08 0.00 -0.37 0.00 0.00 57.07 56.54 1t1n s TYR 145 Cb 0.00 -1.48 0.07 0.00 -0.40 0.00 0.00 41.96 40.15 1t1n s TYR 145 CO 0.00 0.26 0.76 0.72 -1.57 0.00 0.00 175.55 175.72