#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ntz n HIS 2 N 0.00 0.13 0.49 0.66 1.44 -1.26 -2.33 115.22 114.35 1ntz n HIS 2 Ca 0.00 0.04 0.11 0.00 -2.01 0.00 0.00 57.72 55.86 1ntz n HIS 2 Cb 0.00 -0.57 0.45 0.00 0.12 0.00 0.00 29.99 30.00 1ntz n HIS 2 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1ntz n THR 3 N -1.61 0.77 0.80 0.61 -2.24 -1.26 -2.16 114.28 109.20 1ntz n THR 3 Ca 0.06 0.13 0.13 0.00 -2.27 0.00 0.00 64.05 62.10 1ntz n THR 3 Cb 0.31 -1.00 0.46 0.00 -2.10 0.00 0.00 70.33 68.00 1ntz n THR 3 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ntz n ASP 4 N -2.08 0.46 -4.56 3.42 10.43 -0.98 -4.80 116.55 118.43 1ntz n ASP 4 Ca 0.03 0.45 -0.38 0.00 2.57 0.00 0.00 54.79 57.46 1ntz n ASP 4 Cb 0.26 -0.53 -0.03 0.00 1.84 0.00 0.00 41.12 42.66 1ntz n ASP 4 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1ntz s ILE 5 N -3.06 3.19 1.11 0.53 1.01 -0.92 -4.92 121.20 118.14 1ntz s ILE 5 Ca 0.12 0.13 -0.15 0.00 0.00 0.00 0.00 60.65 60.75 1ntz s ILE 5 Cb 0.15 -3.42 0.24 0.00 0.01 0.00 0.00 42.46 39.44 1ntz s ILE 5 CO 0.59 -0.39 1.08 -0.54 0.00 0.00 0.00 174.94 175.68 1ntz s LYS 6 N 7.35 -0.45 -0.19 2.79 3.01 -1.26 -5.06 119.74 125.93 1ntz s LYS 6 Ca 0.85 0.37 -0.03 0.00 -1.01 0.00 0.00 55.97 56.15 1ntz s LYS 6 Cb -0.17 -1.65 0.06 0.00 -1.01 0.00 0.00 37.83 35.06 1ntz s LYS 6 CO 0.26 -3.29 0.03 0.08 0.51 0.00 0.00 175.35 172.94 1ntz s VAL 7 N -2.87 0.54 0.35 3.17 1.01 -1.26 -5.11 120.40 116.24 1ntz s VAL 7 Ca 0.67 -0.54 -0.28 0.00 0.00 0.00 0.00 61.98 61.84 1ntz s VAL 7 Cb -0.17 -1.03 -0.12 0.00 0.00 0.00 0.00 36.38 35.06 1ntz s VAL 7 CO 0.58 -0.18 1.27 -2.65 0.00 0.00 0.00 175.10 174.13 1ntz n PRO 8 N 5.04 2.07 -1.87 2.72 -0.02 -1.26 -4.90 135.00 136.79 1ntz n PRO 8 Ca -0.09 0.73 -0.41 0.00 -2.02 0.00 0.00 63.50 61.71 1ntz n PRO 8 Cb 0.47 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 1ntz n PRO 8 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1ntz s ASP 9 N -0.34 6.48 -0.03 2.55 -1.08 -1.26 -4.90 116.67 118.09 1ntz s ASP 9 Ca 0.56 2.85 0.05 0.00 -0.52 0.00 0.00 52.55 55.49 1ntz s ASP 9 Cb -0.57 -2.63 0.10 0.00 -1.46 0.00 0.00 42.92 38.36 1ntz s ASP 9 CO 0.62 -0.83 1.07 0.49 0.52 0.00 0.00 175.17 177.04 1ntz n PHE 10 N 2.09 0.09 -0.21 -5.34 3.01 -1.26 -4.72 117.46 111.13 1ntz n PHE 10 Ca 0.07 -0.59 0.23 0.00 1.01 0.00 0.00 57.45 58.17 1ntz n PHE 10 Cb 0.39 -0.07 0.60 0.00 -0.01 0.00 0.00 39.48 40.39 1ntz n PHE 10 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1ntz h SER 11 N 0.33 0.23 0.14 4.37 0.02 -1.94 0.47 113.55 117.17 1ntz h SER 11 Ca 0.00 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1ntz h SER 11 Cb 0.64 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 1ntz h SER 11 CO 0.01 0.09 -0.00 -0.78 -1.14 0.00 0.00 176.83 175.00 1ntz h ASP 12 N 0.22 0.00 0.00 3.07 3.58 -2.01 -2.90 116.42 118.38 1ntz h ASP 12 Ca 0.44 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.89 1ntz h ASP 12 Cb 1.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.43 1ntz h ASP 12 CO -0.11 0.00 -0.73 -1.22 -2.88 0.00 0.00 179.24 174.31 1ntz n TYR 13 N -3.16 0.00 -2.24 0.28 4.01 0.15 -5.05 117.16 111.15 1ntz n TYR 13 Ca -0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.30 1ntz n TYR 13 Cb 0.11 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.08 1ntz n TYR 13 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1ntz s ARG 14 N -1.78 4.42 0.70 -0.72 0.52 -0.18 -5.00 118.95 116.91 1ntz s ARG 14 Ca -0.00 2.04 -0.16 0.00 -0.52 0.00 0.00 55.73 57.08 1ntz s ARG 14 Cb 0.01 -3.18 -0.01 0.00 0.52 0.00 0.00 34.95 32.30 1ntz s ARG 14 CO 0.07 -0.18 0.94 0.54 0.02 0.00 0.00 175.30 176.68 1ntz n ARG 15 N 2.17 0.58 0.19 3.54 1.74 -1.26 -4.88 116.66 118.73 1ntz n ARG 15 Ca 0.04 0.25 0.05 0.00 -0.77 0.00 0.00 57.85 57.42 1ntz n ARG 15 Cb 0.43 -2.19 0.51 0.00 -1.02 0.00 0.00 32.46 30.20 1ntz n ARG 15 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1ntz h PRO 16 N -0.11 0.10 0.00 5.56 0.11 -1.97 -1.90 132.00 133.79 1ntz h PRO 16 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ntz h PRO 16 Cb 1.34 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1ntz h PRO 16 CO 0.47 0.19 0.00 0.39 -0.21 0.00 0.00 178.00 178.84 1ntz n GLU 17 N -4.39 0.08 -3.33 1.05 1.02 -1.26 -3.27 120.64 110.54 1ntz n GLU 17 Ca -0.02 0.32 -0.26 0.00 -0.02 0.00 0.00 57.16 57.18 1ntz n GLU 17 Cb 0.19 -1.65 -0.08 0.00 -0.02 0.00 0.00 31.44 29.88 1ntz n GLU 17 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ntz n VAL 18 N -1.81 1.02 0.00 2.62 0.31 -0.72 -4.75 118.33 115.01 1ntz n VAL 18 Ca 0.03 -4.69 0.00 0.00 -0.01 0.00 0.00 64.34 59.67 1ntz n VAL 18 Cb 0.20 -2.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.09 1ntz n VAL 18 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1ntz n LEU 19 N 1.13 0.00 -4.55 7.52 4.77 -1.20 -4.45 117.00 120.21 1ntz n LEU 19 Ca 0.26 -0.23 -0.36 0.00 -0.03 0.00 0.00 56.01 55.65 1ntz n LEU 19 Cb 0.46 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.44 1ntz n LEU 19 CO 0.31 0.00 -0.25 -0.62 -1.33 0.00 0.00 177.39 175.50 1ntz s ASP 20 N -0.66 5.51 0.47 -1.43 3.68 -1.26 -4.93 116.67 118.06 1ntz s ASP 20 Ca 0.00 -0.05 0.27 0.00 2.13 0.00 0.00 52.55 54.90 1ntz s ASP 20 Cb 0.00 -1.98 0.91 0.00 -1.45 0.00 0.00 42.92 40.40 1ntz s ASP 20 CO 0.00 0.05 1.81 0.28 0.13 0.00 0.00 175.17 177.44 1ntz h SER 21 N 7.64 0.00 0.52 -0.34 0.02 -1.99 -3.12 113.55 116.28 1ntz h SER 21 Ca -0.37 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.54 1ntz h SER 21 Cb 1.18 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 1ntz h SER 21 CO 0.62 0.11 -0.21 0.00 -1.14 0.00 0.00 176.83 176.21 1ntz h THR 22 N 0.00 0.72 -3.52 -2.27 1.03 -2.05 -3.47 112.91 103.35 1ntz h THR 22 Ca -0.00 -0.87 -0.33 0.00 -0.01 0.00 0.00 66.41 65.20 1ntz h THR 22 Cb 0.76 1.54 -0.14 0.00 -1.07 0.00 0.00 68.15 69.23 1ntz h THR 22 CO 0.01 0.20 -0.67 -0.54 -0.01 0.00 0.00 175.52 174.52 1ntz s LYS 23 N -4.03 1.20 0.96 0.00 -0.14 -1.18 -5.15 119.74 111.40 1ntz s LYS 23 Ca -0.02 -1.58 -0.13 0.00 -1.36 0.00 0.00 55.97 52.88 1ntz s LYS 23 Cb 0.13 -0.47 0.03 0.00 -1.68 0.00 0.00 37.83 35.84 1ntz s LYS 23 CO 0.63 -0.09 0.35 0.43 -0.76 0.00 0.00 175.35 175.92 1ntz n SER 24 N -0.31 -2.23 -0.00 2.83 7.64 -1.26 -4.89 113.62 115.39 1ntz n SER 24 Ca -0.06 0.31 0.06 0.00 1.01 0.00 0.00 58.87 60.18 1ntz n SER 24 Cb 0.63 -1.18 -0.09 0.00 -1.01 0.00 0.00 64.21 62.56 1ntz n SER 24 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ntz n SER 25 N -1.18 2.27 -0.03 6.43 7.64 -1.26 -4.48 113.62 123.01 1ntz n SER 25 Ca 0.06 -0.04 0.10 0.00 1.01 0.00 0.00 58.87 60.00 1ntz n SER 25 Cb 0.54 1.50 0.50 0.00 -1.01 0.00 0.00 64.21 65.74 1ntz n SER 25 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1ntz h LYS 26 N 0.00 0.38 0.33 1.43 1.57 -1.99 -1.48 116.57 116.81 1ntz h LYS 26 Ca 0.00 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1ntz h LYS 26 Cb 0.51 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1ntz h LYS 26 CO 0.00 0.25 -0.16 0.93 -0.57 0.00 0.00 179.45 179.90 1ntz h GLU 27 N 0.39 -0.43 0.00 3.15 5.08 -1.99 -3.03 114.58 117.75 1ntz h GLU 27 Ca 0.22 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1ntz h GLU 27 Cb 0.37 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1ntz h GLU 27 CO -0.05 -0.20 0.00 -1.13 -1.00 0.00 0.00 179.01 176.62 1ntz n SER 28 N -5.22 0.00 -0.14 1.42 3.41 -1.02 -4.06 113.62 108.01 1ntz n SER 28 Ca -0.10 -0.03 -0.05 0.00 -0.26 0.00 0.00 58.87 58.43 1ntz n SER 28 Cb 0.23 -0.32 0.04 0.00 -0.26 0.00 0.00 64.21 63.90 1ntz n SER 28 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1ntz h SER 29 N 0.00 0.17 -0.51 4.04 4.64 -1.14 0.11 113.55 120.85 1ntz h SER 29 Ca 0.00 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1ntz h SER 29 Cb 0.31 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 1ntz h SER 29 CO 0.00 0.13 0.28 -0.33 -0.87 0.00 0.00 176.83 176.04 1ntz h GLU 30 N 0.33 0.71 -0.50 4.77 5.08 -1.75 0.25 114.58 123.47 1ntz h GLU 30 Ca 0.20 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 1ntz h GLU 30 Cb 0.19 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1ntz h GLU 30 CO -0.20 0.55 -0.10 0.00 -1.00 0.00 0.00 179.01 178.26 1ntz h ALA 31 N 1.12 0.87 -0.36 3.43 0.00 -1.74 0.45 119.26 123.03 1ntz h ALA 31 Ca 0.18 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1ntz h ALA 31 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ntz h ALA 31 CO -0.03 0.64 -0.03 0.00 0.00 0.00 0.00 179.25 179.83 1ntz h ARG 32 N 0.83 0.65 -0.16 0.00 3.08 -0.11 0.40 114.38 119.08 1ntz h ARG 32 Ca 0.14 -0.22 -0.18 0.00 0.07 0.00 0.00 59.98 59.78 1ntz h ARG 32 Cb 0.63 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 1ntz h ARG 32 CO 0.04 0.78 -0.64 0.87 -1.07 0.00 0.00 179.97 179.96 1ntz h LYS 33 N 0.46 0.58 0.09 0.04 1.79 -0.38 -2.75 116.57 116.39 1ntz h LYS 33 Ca 0.10 -0.41 0.02 0.00 -2.18 0.00 0.00 60.65 58.18 1ntz h LYS 33 Cb 0.51 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 31.18 1ntz h LYS 33 CO 0.02 1.03 -0.35 0.78 -1.08 0.00 0.00 179.45 179.85 1ntz h GLY 34 N 1.02 -0.65 0.56 3.86 0.00 0.09 0.20 103.07 108.15 1ntz h GLY 34 Ca -0.01 0.42 0.06 0.00 0.00 0.00 0.00 47.33 47.80 1ntz h GLY 34 CO 0.12 -0.25 0.15 -2.75 0.00 0.00 0.00 176.54 173.81 1ntz h PHE 35 N -0.56 0.27 0.00 5.60 3.04 -0.90 0.15 116.94 124.55 1ntz h PHE 35 Ca 0.04 0.02 -0.10 0.00 3.98 0.00 0.00 57.97 61.91 1ntz h PHE 35 Cb 0.60 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.05 1ntz h PHE 35 CO -0.33 0.09 -0.46 0.77 -2.02 0.00 0.00 178.31 176.37 1ntz h SER 36 N 0.32 0.00 0.79 0.41 0.02 -1.15 -2.89 113.55 111.05 1ntz h SER 36 Ca 0.22 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.94 1ntz h SER 36 Cb 0.23 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 1ntz h SER 36 CO -0.23 0.46 -1.31 1.88 -1.14 0.00 0.00 176.83 176.49 1ntz h TYR 37 N 0.00 0.00 -0.61 3.45 0.05 -0.18 -3.19 116.97 116.49 1ntz h TYR 37 Ca -0.00 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.78 1ntz h TYR 37 Cb 0.93 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.64 1ntz h TYR 37 CO 0.00 0.89 0.40 1.25 -1.05 0.00 0.00 178.16 179.66 1ntz h LEU 38 N 0.00 0.70 -0.27 3.88 5.85 -0.61 0.24 115.31 125.10 1ntz h LEU 38 Ca -0.15 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.61 1ntz h LEU 38 Cb 1.81 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.61 1ntz h LEU 38 CO 0.09 0.51 -0.11 0.58 -0.34 0.00 0.00 178.44 179.17 1ntz h VAL 39 N 0.83 0.63 -0.06 1.05 2.07 -1.56 0.86 116.25 120.07 1ntz h VAL 39 Ca 0.22 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.63 1ntz h VAL 39 Cb -0.09 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1ntz h VAL 39 CO -0.05 0.00 -0.49 0.71 0.02 0.00 0.00 177.57 177.76 1ntz h THR 40 N -0.07 1.35 0.15 2.57 1.35 -1.41 -1.74 112.91 115.11 1ntz h THR 40 Ca 0.14 -1.72 -0.01 0.00 -0.55 0.00 0.00 66.41 64.27 1ntz h THR 40 Cb 0.28 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1ntz h THR 40 CO -0.31 0.50 -0.07 0.00 -0.25 0.00 0.00 175.52 175.39 1ntz h ALA 41 N 1.38 -0.20 -0.91 6.62 0.00 0.16 -1.77 119.26 124.54 1ntz h ALA 41 Ca 0.00 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.86 1ntz h ALA 41 Cb 0.92 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 1ntz h ALA 41 CO 0.07 -0.45 0.54 1.15 0.00 0.00 0.00 179.25 180.56 1ntz h THR 42 N -0.53 0.88 -0.11 0.00 2.02 -0.82 0.18 112.91 114.53 1ntz h THR 42 Ca -0.02 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 1ntz h THR 42 Cb 0.41 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1ntz h THR 42 CO 0.03 0.16 0.06 0.74 0.37 0.00 0.00 175.52 176.88 1ntz h THR 43 N 0.85 1.07 -0.58 3.16 2.02 -1.23 0.09 112.91 118.28 1ntz h THR 43 Ca 0.45 -0.18 -0.07 0.00 0.77 0.00 0.00 66.41 67.38 1ntz h THR 43 Cb 0.47 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 1ntz h THR 43 CO -0.28 0.06 0.09 0.71 0.37 0.00 0.00 175.52 176.48 1ntz h THR 44 N 0.10 1.25 -0.58 3.16 1.35 -0.53 0.31 112.91 117.97 1ntz h THR 44 Ca 0.04 -0.96 0.02 0.00 -0.55 0.00 0.00 66.41 64.96 1ntz h THR 44 Cb 0.05 0.70 -0.03 0.00 -1.73 0.00 0.00 68.15 67.13 1ntz h THR 44 CO -0.01 0.35 0.37 0.58 -0.25 0.00 0.00 175.52 176.56 1ntz h VAL 45 N 0.89 1.11 0.08 6.82 2.07 -0.80 0.37 116.25 126.78 1ntz h VAL 45 Ca 0.18 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1ntz h VAL 45 Cb 0.39 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1ntz h VAL 45 CO 0.01 0.13 -0.04 1.23 0.02 0.00 0.00 177.57 178.93 1ntz h GLY 46 N 0.74 -0.11 1.21 2.17 0.00 0.14 -1.86 103.07 105.36 1ntz h GLY 46 Ca 0.22 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 1ntz h GLY 46 CO -0.07 -0.04 0.33 -2.08 0.00 0.00 0.00 176.54 174.68 1ntz h VAL 47 N -0.16 1.23 -0.09 4.60 2.07 -0.11 -2.47 116.25 121.32 1ntz h VAL 47 Ca -0.01 -0.66 0.03 0.00 0.82 0.00 0.00 66.70 66.88 1ntz h VAL 47 Cb 0.13 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1ntz h VAL 47 CO 0.02 0.28 -0.08 0.00 0.02 0.00 0.00 177.57 177.81 1ntz h ALA 48 N 1.35 -0.00 -0.39 1.67 0.00 0.02 0.57 119.26 122.47 1ntz h ALA 48 Ca 0.25 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.28 1ntz h ALA 48 Cb 0.12 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 1ntz h ALA 48 CO -0.03 -0.54 -0.14 -0.92 0.00 0.00 0.00 179.25 177.62 1ntz h TYR 49 N -0.09 -0.32 -0.23 0.00 3.20 -0.94 0.24 116.97 118.82 1ntz h TYR 49 Ca 0.06 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 1ntz h TYR 49 Cb 0.18 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1ntz h TYR 49 CO -0.19 -0.22 -0.09 0.00 -1.64 0.00 0.00 178.16 176.03 1ntz h ALA 50 N 1.29 0.32 -0.55 1.82 0.00 -0.95 -2.55 119.26 118.64 1ntz h ALA 50 Ca 0.19 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1ntz h ALA 50 Cb 0.35 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1ntz h ALA 50 CO -0.44 0.15 0.30 0.00 0.00 0.00 0.00 179.25 179.27 1ntz h ALA 51 N 0.73 0.70 0.08 0.00 0.00 0.66 -1.85 119.26 119.58 1ntz h ALA 51 Ca 0.05 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ntz h ALA 51 Cb 0.57 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1ntz h ALA 51 CO 0.03 -0.02 -0.42 0.87 0.00 0.00 0.00 179.25 179.72 1ntz h LYS 52 N 0.59 -0.56 -0.51 0.00 1.57 -0.47 -1.02 116.57 116.16 1ntz h LYS 52 Ca 0.23 0.04 0.10 0.00 -1.87 0.00 0.00 60.65 59.15 1ntz h LYS 52 Cb 0.10 0.13 -0.10 0.00 0.08 0.00 0.00 32.23 32.44 1ntz h LYS 52 CO -0.14 -0.37 -0.12 -0.91 -0.57 0.00 0.00 179.45 177.34 1ntz h ASN 53 N -0.58 -0.46 -0.50 0.86 -0.26 -1.04 0.77 115.58 114.38 1ntz h ASN 53 Ca -0.00 0.15 -0.08 0.00 -0.56 0.00 0.00 56.30 55.81 1ntz h ASN 53 Cb 0.59 0.31 -0.02 0.00 -1.06 0.00 0.00 38.32 38.15 1ntz h ASN 53 CO -0.23 -0.16 0.01 0.58 -1.06 0.00 0.00 177.43 176.56 1ntz h VAL 54 N 0.01 1.26 0.02 2.81 2.07 -1.25 -0.28 116.25 120.88 1ntz h VAL 54 Ca 0.25 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1ntz h VAL 54 Cb 0.38 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1ntz h VAL 54 CO -0.52 0.37 -0.01 0.58 0.02 0.00 0.00 177.57 178.01 1ntz h VAL 55 N 0.73 1.09 -0.42 2.57 2.07 -0.40 -1.79 116.25 120.11 1ntz h VAL 55 Ca 0.14 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 67.39 1ntz h VAL 55 Cb 0.50 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.54 1ntz h VAL 55 CO 0.02 0.09 0.07 0.28 0.02 0.00 0.00 177.57 178.05 1ntz h SER 56 N -0.17 -0.02 -0.64 0.57 0.02 0.65 0.16 113.55 114.11 1ntz h SER 56 Ca -0.00 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1ntz h SER 56 Cb 0.17 0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 1ntz h SER 56 CO 0.00 0.03 0.40 1.56 -1.14 0.00 0.00 176.83 177.68 1ntz h GLN 57 N 0.20 0.76 -0.21 3.45 4.20 -0.94 0.36 115.11 122.93 1ntz h GLN 57 Ca 0.21 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.77 1ntz h GLN 57 Cb 0.26 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1ntz h GLN 57 CO -0.28 0.51 -0.30 0.74 -0.67 0.00 0.00 178.83 178.83 1ntz h PHE 58 N 0.79 0.48 -0.07 2.96 -1.00 -0.71 -1.87 116.94 117.50 1ntz h PHE 58 Ca 0.25 -0.11 -0.02 0.00 2.81 0.00 0.00 57.97 60.91 1ntz h PHE 58 Cb 0.00 -0.11 -0.00 0.00 3.61 0.00 0.00 35.95 39.44 1ntz h PHE 58 CO -0.05 0.68 -0.02 0.28 -1.61 0.00 0.00 178.31 177.59 1ntz h VAL 59 N 0.37 1.29 -0.05 -0.55 2.07 -0.29 -3.08 116.25 116.01 1ntz h VAL 59 Ca 0.05 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.66 1ntz h VAL 59 Cb 0.71 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1ntz h VAL 59 CO 0.05 0.26 0.05 0.28 0.02 0.00 0.00 177.57 178.23 1ntz h SER 60 N -0.19 0.00 0.17 0.57 0.02 -0.04 -2.49 113.55 111.59 1ntz h SER 60 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1ntz h SER 60 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1ntz h SER 60 CO 0.01 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.16 1ntz n SER 61 N -4.05 0.00 -1.47 3.07 3.41 -0.73 -2.13 113.62 111.73 1ntz n SER 61 Ca -0.02 0.30 0.08 0.00 -0.26 0.00 0.00 58.87 58.97 1ntz n SER 61 Cb 0.14 -0.36 0.34 0.00 -0.26 0.00 0.00 64.21 64.07 1ntz n SER 61 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1ntz n MET 62 N -1.36 4.05 0.00 4.33 2.81 -0.94 -4.89 117.12 121.12 1ntz n MET 62 Ca 0.03 -3.02 0.00 0.00 -1.81 0.00 0.00 57.70 52.90 1ntz n MET 62 Cb 0.06 -2.07 0.00 0.00 -0.71 0.00 0.00 33.22 30.50 1ntz n MET 62 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1ntz n SER 63 N 0.20 0.00 -3.17 7.83 7.64 -0.90 -5.13 113.62 120.08 1ntz n SER 63 Ca 0.25 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1ntz n SER 63 Cb 1.06 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.26 1ntz n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ntz n ALA 64 N -2.41 0.00 0.00 -0.43 0.00 -1.26 -5.01 120.51 111.39 1ntz n ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ntz n ALA 64 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ntz n ALA 64 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ntz n SER 65 N -0.18 0.00 -1.86 0.00 7.64 -1.26 -4.77 113.62 113.19 1ntz n SER 65 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 1ntz n SER 65 Cb 0.00 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.33 1ntz n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ntz n ALA 66 N -0.20 4.67 -2.94 -0.43 0.00 -1.26 -4.45 120.51 115.89 1ntz n ALA 66 Ca 0.00 -2.04 -0.27 0.00 0.00 0.00 0.00 53.44 51.14 1ntz n ALA 66 Cb 0.00 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.10 1ntz n ALA 66 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ntz n ASP 67 N -0.63 4.48 0.00 0.00 10.43 -1.26 -4.49 116.55 125.08 1ntz n ASP 67 Ca 0.42 -3.69 0.00 0.00 2.57 0.00 0.00 54.79 54.09 1ntz n ASP 67 Cb 1.32 -0.56 0.00 0.00 1.84 0.00 0.00 41.12 43.72 1ntz n ASP 67 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 1ntz n VAL 68 N -0.25 0.00 0.00 2.53 0.31 -1.26 -4.91 118.33 114.75 1ntz n VAL 68 Ca 0.31 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1ntz n VAL 68 Cb 0.39 1.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.32 1ntz n VAL 68 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1ntz n LEU 69 N -0.84 0.00 -1.23 7.52 4.77 -1.26 -4.79 117.00 121.17 1ntz n LEU 69 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1ntz n LEU 69 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1ntz n LEU 69 CO 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 177.39 175.96 1ntz n ALA 70 N 0.00 -0.16 -1.00 -1.18 0.00 -1.26 -4.90 120.51 112.02 1ntz n ALA 70 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1ntz n ALA 70 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1ntz n ALA 70 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1ntz n MET 71 N -1.57 0.00 0.00 0.00 0.00 -1.26 -4.74 117.12 109.55 1ntz n MET 71 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.60 1ntz n MET 71 Cb 0.36 -0.76 0.00 0.00 0.00 0.00 0.00 33.22 32.81 1ntz n MET 71 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1ntz n SER 72 N -0.36 0.00 -2.26 6.12 7.64 -1.26 -4.79 113.62 118.70 1ntz n SER 72 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 1ntz n SER 72 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1ntz n SER 72 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ntz n LYS 73 N 0.00 -2.32 -1.48 1.43 5.02 -1.26 -4.80 118.16 114.75 1ntz n LYS 73 Ca 0.00 0.36 -0.56 0.00 -2.02 0.00 0.00 58.31 56.09 1ntz n LYS 73 Cb 0.00 -4.85 -0.07 0.00 -0.02 0.00 0.00 35.03 30.09 1ntz n LYS 73 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1ntz n ILE 74 N -2.77 0.48 -3.49 -0.18 3.06 -1.24 -4.37 119.36 110.84 1ntz n ILE 74 Ca -0.08 -0.12 -0.38 0.00 -2.50 0.00 0.00 62.75 59.67 1ntz n ILE 74 Cb 0.51 -0.02 -0.09 0.00 0.54 0.00 0.00 39.64 40.58 1ntz n ILE 74 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1ntz s GLU 75 N -0.23 4.04 -0.18 9.51 2.02 -1.26 -2.75 118.70 129.85 1ntz s GLU 75 Ca 0.84 -0.09 -0.04 0.00 0.02 0.00 0.00 54.97 55.71 1ntz s GLU 75 Cb -1.18 -3.61 -0.02 0.00 0.10 0.00 0.00 34.13 29.41 1ntz s GLU 75 CO 0.57 -0.15 -0.03 0.42 0.02 0.00 0.00 175.26 176.09 1ntz s ILE 76 N 1.67 3.78 -0.44 -1.63 1.01 -0.49 -4.97 121.20 120.12 1ntz s ILE 76 Ca 0.12 -0.39 -0.29 0.00 0.00 0.00 0.00 60.65 60.10 1ntz s ILE 76 Cb -0.15 -2.68 0.02 0.00 0.01 0.00 0.00 42.46 39.66 1ntz s ILE 76 CO 0.09 0.46 1.23 -0.75 0.00 0.00 0.00 174.94 175.97 1ntz s LYS 77 N 0.71 3.70 0.41 2.79 2.20 -1.26 -2.30 119.74 125.99 1ntz s LYS 77 Ca -0.02 0.74 0.10 0.00 -0.36 0.00 0.00 55.97 56.43 1ntz s LYS 77 Cb -0.14 -3.94 0.88 0.00 -1.51 0.00 0.00 37.83 33.11 1ntz s LYS 77 CO 0.02 -1.41 1.99 -0.07 -0.36 0.00 0.00 175.35 175.52 1ntz h LEU 78 N 11.48 0.26 0.00 5.43 3.38 -0.41 -2.90 115.31 132.55 1ntz h LEU 78 Ca -0.24 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1ntz h LEU 78 Cb 1.08 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1ntz h LEU 78 CO 1.11 0.31 0.00 -1.54 0.09 0.00 0.00 178.44 178.41 1ntz n SER 79 N -4.37 0.00 0.10 -0.43 3.41 -1.26 -2.59 113.62 108.48 1ntz n SER 79 Ca -0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1ntz n SER 79 Cb 0.19 -0.27 0.20 0.00 -0.26 0.00 0.00 64.21 64.06 1ntz n SER 79 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ntz h ASP 80 N 0.00 0.00 -3.52 4.04 3.32 -1.89 -3.42 116.42 114.96 1ntz h ASP 80 Ca 0.00 -0.10 -0.70 0.00 0.02 0.00 0.00 57.03 56.26 1ntz h ASP 80 Cb 0.16 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 39.37 1ntz h ASP 80 CO 0.00 0.05 -0.56 -0.63 -1.72 0.00 0.00 179.24 176.38 1ntz s ILE 81 N -3.19 3.36 1.01 0.35 1.01 -1.07 -5.11 121.20 117.56 1ntz s ILE 81 Ca 0.06 -1.89 -0.13 0.00 0.00 0.00 0.00 60.65 58.69 1ntz s ILE 81 Cb 0.11 -3.23 0.19 0.00 0.01 0.00 0.00 42.46 39.55 1ntz s ILE 81 CO 0.70 -0.59 1.11 -2.16 0.00 0.00 0.00 174.94 174.00 1ntz s PRO 82 N 1.19 0.32 0.12 2.79 0.04 -1.26 -4.78 135.00 133.42 1ntz s PRO 82 Ca 0.06 0.34 -0.31 0.00 0.04 0.00 0.00 61.00 61.12 1ntz s PRO 82 Cb -0.22 -1.74 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 1ntz s PRO 82 CO -0.03 -2.77 1.85 -1.21 0.04 0.00 0.00 177.00 174.89 1ntz s GLU 83 N -5.13 4.13 0.00 4.56 2.02 -1.26 -2.86 118.70 120.16 1ntz s GLU 83 Ca 0.66 2.62 0.00 0.00 0.02 0.00 0.00 54.97 58.27 1ntz s GLU 83 Cb -0.16 -3.62 0.00 0.00 0.10 0.00 0.00 34.13 30.45 1ntz s GLU 83 CO 0.56 -0.86 0.00 0.41 0.02 0.00 0.00 175.26 175.39 1ntz n GLY 84 N 4.27 0.64 3.77 -1.39 0.00 -0.05 -4.94 105.19 107.49 1ntz n GLY 84 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1ntz n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ntz s LYS 85 N -0.75 3.19 -0.40 1.61 2.20 -1.14 -4.96 119.74 119.49 1ntz s LYS 85 Ca 0.00 -0.28 -0.11 0.00 -0.36 0.00 0.00 55.97 55.22 1ntz s LYS 85 Cb 0.00 -2.97 0.06 0.00 -1.51 0.00 0.00 37.83 33.40 1ntz s LYS 85 CO 0.00 0.73 0.25 1.21 -0.36 0.00 0.00 175.35 177.18 1ntz s ASN 86 N -0.94 5.73 -0.26 1.43 2.47 -1.26 -2.52 114.94 119.59 1ntz s ASN 86 Ca 0.14 -1.27 -0.12 0.00 0.42 0.00 0.00 52.86 52.03 1ntz s ASN 86 Cb -0.12 -2.02 -0.05 0.00 -1.45 0.00 0.00 41.25 37.62 1ntz s ASN 86 CO 0.03 -0.48 0.25 -0.32 -3.72 0.00 0.00 177.10 172.86 1ntz s MET 87 N 1.50 4.02 -0.09 0.43 -2.45 -0.99 -4.97 119.30 116.76 1ntz s MET 87 Ca 0.02 -0.16 -0.10 0.00 -1.25 0.00 0.00 55.69 54.20 1ntz s MET 87 Cb -0.21 -3.62 -0.05 0.00 1.25 0.00 0.00 34.83 32.20 1ntz s MET 87 CO 0.05 -0.14 0.24 0.00 1.05 0.00 0.00 175.02 176.21 1ntz s ALA 88 N 1.65 3.79 0.34 4.11 0.00 -1.26 -1.58 121.76 128.80 1ntz s ALA 88 Ca 0.10 -0.49 0.05 0.00 0.00 0.00 0.00 51.96 51.62 1ntz s ALA 88 Cb -0.15 -2.15 -0.07 0.00 0.00 0.00 0.00 23.12 20.75 1ntz s ALA 88 CO 0.09 0.51 0.03 -0.06 0.00 0.00 0.00 175.76 176.33 1ntz s PHE 89 N -0.87 2.08 -0.36 0.00 0.40 0.09 -4.94 117.98 114.39 1ntz s PHE 89 Ca 0.18 -0.85 -0.13 0.00 -0.60 0.00 0.00 56.93 55.52 1ntz s PHE 89 Cb -0.14 -1.36 -0.01 0.00 0.51 0.00 0.00 43.02 42.03 1ntz s PHE 89 CO 0.07 0.15 0.25 0.21 0.70 0.00 0.00 175.22 176.61 1ntz s LYS 90 N -3.82 3.33 -0.17 0.44 2.20 -1.26 -0.62 119.74 119.84 1ntz s LYS 90 Ca 0.35 -0.76 -0.00 0.00 -0.36 0.00 0.00 55.97 55.20 1ntz s LYS 90 Cb 0.08 -3.85 0.04 0.00 -1.51 0.00 0.00 37.83 32.59 1ntz s LYS 90 CO 0.15 -0.54 -0.07 -0.46 -0.36 0.00 0.00 175.35 174.08 1ntz s TRP 91 N 1.70 1.86 -1.43 4.03 -0.00 0.27 -4.79 118.94 120.58 1ntz s TRP 91 Ca 0.06 -1.17 -0.07 0.00 -0.00 0.00 0.00 56.10 54.92 1ntz s TRP 91 Cb -0.18 -1.39 0.04 0.00 -0.00 0.00 0.00 33.47 31.94 1ntz s TRP 91 CO 0.10 -0.64 0.81 0.54 -0.00 0.00 0.00 176.95 177.76 1ntz n ARG 92 N 4.84 -5.03 -0.87 5.86 1.74 -1.26 -0.99 116.66 120.94 1ntz n ARG 92 Ca -0.13 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 1ntz n ARG 92 Cb 0.48 -5.26 0.00 0.00 -1.02 0.00 0.00 32.46 26.65 1ntz n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ntz n GLY 93 N -1.66 0.50 3.35 -0.13 0.00 -1.26 -4.96 105.19 101.03 1ntz n GLY 93 Ca -0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 1ntz n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ntz s LYS 94 N -0.53 1.30 0.18 1.61 -0.14 -0.17 -5.12 119.74 116.89 1ntz s LYS 94 Ca 0.00 -1.32 -0.31 0.00 -1.36 0.00 0.00 55.97 52.98 1ntz s LYS 94 Cb 0.00 -1.63 -0.09 0.00 -1.68 0.00 0.00 37.83 34.43 1ntz s LYS 94 CO 0.00 0.37 1.41 -2.14 -0.76 0.00 0.00 175.35 174.24 1ntz s PRO 95 N -2.21 4.30 -0.18 -1.68 0.02 -1.26 0.96 135.00 134.95 1ntz s PRO 95 Ca 0.13 2.18 0.01 0.00 0.02 0.00 0.00 61.00 63.34 1ntz s PRO 95 Cb -0.09 -3.18 0.02 0.00 0.02 0.00 0.00 34.50 31.27 1ntz s PRO 95 CO 0.06 -0.41 -0.19 -1.17 -0.33 0.00 0.00 177.00 174.95 1ntz s LEU 96 N 0.39 2.18 -0.13 -5.54 2.96 0.21 0.11 118.68 118.86 1ntz s LEU 96 Ca 0.62 -0.63 -0.15 0.00 -0.22 0.00 0.00 54.13 53.75 1ntz s LEU 96 Cb -0.39 -1.49 -0.05 0.00 0.50 0.00 0.00 46.19 44.76 1ntz s LEU 96 CO 0.36 0.01 0.35 -0.36 -1.32 0.00 0.00 176.35 175.39 1ntz s PHE 97 N 1.26 3.50 -0.22 5.38 0.08 0.19 -0.73 117.98 127.44 1ntz s PHE 97 Ca 0.04 0.71 -0.00 0.00 0.12 0.00 0.00 56.93 57.80 1ntz s PHE 97 Cb -0.13 -2.39 0.06 0.00 -0.57 0.00 0.00 43.02 39.99 1ntz s PHE 97 CO -0.12 0.27 -0.04 0.08 -0.10 0.00 0.00 175.22 175.31 1ntz s VAL 98 N 0.34 1.31 -0.10 -0.44 1.01 -0.62 -0.96 120.40 120.94 1ntz s VAL 98 Ca 0.20 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1ntz s VAL 98 Cb -0.14 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 1ntz s VAL 98 CO 0.06 -0.11 -0.20 -0.60 0.00 0.00 0.00 175.10 174.26 1ntz s ARG 99 N 1.50 3.06 -0.40 2.72 3.52 -0.49 -2.35 118.95 126.51 1ntz s ARG 99 Ca -0.05 -0.81 -0.22 0.00 -0.13 0.00 0.00 55.73 54.53 1ntz s ARG 99 Cb -0.18 -2.39 0.01 0.00 -1.56 0.00 0.00 34.95 30.83 1ntz s ARG 99 CO -0.07 0.25 0.72 -1.58 -0.81 0.00 0.00 175.30 173.81 1ntz s HIS 100 N 0.21 3.08 0.00 5.12 5.65 -1.05 -2.44 115.29 125.87 1ntz s HIS 100 Ca -0.12 0.28 -0.10 0.00 0.25 0.00 0.00 55.06 55.37 1ntz s HIS 100 Cb -0.16 -3.39 -0.05 0.00 -1.18 0.00 0.00 32.58 27.79 1ntz s HIS 100 CO 0.07 -0.80 0.32 1.03 -0.65 0.00 0.00 174.74 174.71 1ntz s ARG 101 N 2.99 3.70 0.74 2.88 0.52 -0.58 -0.87 118.95 128.34 1ntz s ARG 101 Ca 0.27 0.13 -0.09 0.00 -0.52 0.00 0.00 55.73 55.52 1ntz s ARG 101 Cb -0.13 -3.12 0.06 0.00 0.52 0.00 0.00 34.95 32.28 1ntz s ARG 101 CO 0.18 0.66 1.08 0.95 0.02 0.00 0.00 175.30 178.19 1ntz s THR 102 N -1.22 2.29 0.25 0.02 -4.23 -1.26 -4.75 115.64 106.75 1ntz s THR 102 Ca 0.26 -0.12 -0.03 0.00 -1.18 0.00 0.00 61.69 60.62 1ntz s THR 102 Cb -0.14 -3.05 0.22 0.00 1.34 0.00 0.00 72.50 70.87 1ntz s THR 102 CO 0.14 -0.05 1.78 0.50 -0.54 0.00 0.00 174.62 176.44 1ntz h LYS 103 N -0.76 0.64 -0.94 3.99 3.64 -1.99 -2.57 116.57 118.58 1ntz h LYS 103 Ca -0.45 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 58.91 1ntz h LYS 103 Cb 1.32 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.94 1ntz h LYS 103 CO 0.63 0.42 0.62 -0.22 -2.27 0.00 0.00 179.45 178.63 1ntz h LYS 104 N 0.66 1.21 -0.06 1.90 3.64 -2.00 -2.77 116.57 119.15 1ntz h LYS 104 Ca 0.42 -0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 59.57 1ntz h LYS 104 Cb 0.51 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1ntz h LYS 104 CO -0.31 0.80 -0.67 0.93 -2.27 0.00 0.00 179.45 177.93 1ntz h GLU 105 N 1.25 0.26 -0.45 1.90 5.08 -1.84 -2.57 114.58 118.20 1ntz h GLU 105 Ca 0.36 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1ntz h GLU 105 Cb -0.09 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1ntz h GLU 105 CO -0.09 0.84 0.11 0.82 -1.00 0.00 0.00 179.01 179.69 1ntz h ILE 106 N 0.18 1.23 -0.30 3.13 2.04 -1.34 -2.76 117.51 119.70 1ntz h ILE 106 Ca -0.02 -0.81 -0.10 0.00 1.00 0.00 0.00 64.86 64.93 1ntz h ILE 106 Cb 1.21 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1ntz h ILE 106 CO 0.11 0.29 -0.23 0.44 0.00 0.00 0.00 178.15 178.76 1ntz h ASP 107 N 0.60 0.58 -0.07 1.72 3.32 -1.49 -2.72 116.42 118.35 1ntz h ASP 107 Ca 0.14 -0.20 -0.13 0.00 0.02 0.00 0.00 57.03 56.87 1ntz h ASP 107 Cb 0.32 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1ntz h ASP 107 CO 0.00 0.80 -0.38 -0.61 -1.72 0.00 0.00 179.24 177.33 1ntz h GLN 108 N 0.51 0.59 0.00 3.56 4.15 -1.38 -2.48 115.11 120.06 1ntz h GLN 108 Ca 0.08 -0.29 -0.16 0.00 0.77 0.00 0.00 58.65 59.04 1ntz h GLN 108 Cb 0.67 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.34 1ntz h GLN 108 CO 0.05 0.88 -0.78 0.93 -1.93 0.00 0.00 178.83 177.98 1ntz h GLU 109 N 0.49 0.00 0.00 1.69 4.39 -1.43 -3.07 114.58 116.65 1ntz h GLU 109 Ca 0.05 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1ntz h GLU 109 Cb 0.89 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1ntz h GLU 109 CO 0.08 0.78 -0.08 0.00 -1.16 0.00 0.00 179.01 178.63 1ntz h ALA 110 N 1.22 0.96 -0.01 3.43 0.00 -1.44 -3.15 119.26 120.28 1ntz h ALA 110 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ntz h ALA 110 Cb 1.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1ntz h ALA 110 CO 0.10 0.10 -0.16 0.00 0.00 0.00 0.00 179.25 179.29 1ntz n ALA 111 N -2.12 2.89 -2.21 0.00 0.00 -0.94 -4.92 120.51 113.20 1ntz n ALA 111 Ca 0.03 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.65 1ntz n ALA 111 Cb 0.50 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 1ntz n ALA 111 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ntz s VAL 112 N -2.34 3.60 -0.70 0.00 1.01 -1.19 -4.93 120.40 115.85 1ntz s VAL 112 Ca 0.29 1.06 -0.26 0.00 0.00 0.00 0.00 61.98 63.07 1ntz s VAL 112 Cb 0.20 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.84 1ntz s VAL 112 CO 0.46 0.03 2.08 -0.70 0.00 0.00 0.00 175.10 176.96 1ntz s GLU 113 N 1.97 2.34 0.25 2.72 -6.30 -1.26 -4.87 118.70 113.55 1ntz s GLU 113 Ca 0.64 0.48 -0.03 0.00 -2.50 0.00 0.00 54.97 53.55 1ntz s GLU 113 Cb -0.33 -4.69 0.49 0.00 0.00 0.00 0.00 34.13 29.60 1ntz s GLU 113 CO 0.28 -3.30 1.72 0.28 0.02 0.00 0.00 175.26 174.26 1ntz h VAL 114 N 7.28 0.61 0.00 3.70 2.07 -1.93 -2.70 116.25 125.27 1ntz h VAL 114 Ca -0.11 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1ntz h VAL 114 Cb 1.11 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1ntz h VAL 114 CO 1.17 0.07 0.00 -1.54 0.02 0.00 0.00 177.57 177.30 1ntz n SER 115 N -5.03 0.12 0.01 0.57 3.41 -1.26 -2.11 113.62 109.33 1ntz n SER 115 Ca 0.15 0.54 0.11 0.00 -0.26 0.00 0.00 58.87 59.41 1ntz n SER 115 Cb 0.45 -0.56 0.11 0.00 -0.26 0.00 0.00 64.21 63.94 1ntz n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ntz n GLN 116 N -1.65 0.08 -2.24 4.33 1.13 -1.02 -4.97 117.38 113.04 1ntz n GLN 116 Ca 0.02 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.73 1ntz n GLN 116 Cb 0.11 -1.53 0.00 0.00 0.11 0.00 0.00 30.24 28.93 1ntz n GLN 116 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1ntz s LEU 117 N -3.26 3.74 0.12 1.08 1.43 -0.89 -4.98 118.68 115.93 1ntz s LEU 117 Ca 0.08 2.20 -0.15 0.00 -1.03 0.00 0.00 54.13 55.23 1ntz s LEU 117 Cb 0.16 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.78 1ntz s LEU 117 CO 0.77 -1.25 1.56 -0.09 0.23 0.00 0.00 176.35 177.56 1ntz h ARG 118 N 1.18 0.71 -4.07 1.70 2.43 -1.90 -3.36 114.38 111.07 1ntz h ARG 118 Ca -0.50 -0.24 -0.66 0.00 -0.81 0.00 0.00 59.98 57.78 1ntz h ARG 118 Cb 1.27 -0.06 -0.40 0.00 -0.42 0.00 0.00 29.97 30.36 1ntz h ARG 118 CO 0.57 0.81 -0.65 0.34 -1.51 0.00 0.00 179.97 179.53 1ntz s ASP 119 N -6.23 4.64 -0.28 -3.80 2.15 -1.26 -5.03 116.67 106.86 1ntz s ASP 119 Ca -0.13 -2.55 -0.32 0.00 0.43 0.00 0.00 52.55 49.98 1ntz s ASP 119 Cb 0.10 -1.66 -0.08 0.00 -0.30 0.00 0.00 42.92 40.97 1ntz s ASP 119 CO 0.80 -0.33 2.20 -0.81 -0.17 0.00 0.00 175.17 176.86 1ntz n PRO 120 N 3.75 1.53 -3.65 4.34 -0.04 -1.26 -4.90 135.00 134.78 1ntz n PRO 120 Ca 0.04 0.42 -0.10 0.00 -0.04 0.00 0.00 63.50 63.82 1ntz n PRO 120 Cb 0.38 -2.84 -0.08 0.00 -0.04 0.00 0.00 33.50 30.92 1ntz n PRO 120 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1ntz s GLN 121 N 6.22 0.70 0.49 0.54 -0.21 -1.26 -5.12 119.66 121.01 1ntz s GLN 121 Ca 1.05 1.05 -0.18 0.00 0.02 0.00 0.00 55.36 57.30 1ntz s GLN 121 Cb -0.60 0.22 -0.09 0.00 1.00 0.00 0.00 33.01 33.54 1ntz s GLN 121 CO 0.43 -0.13 0.98 -1.58 -2.12 0.00 0.00 175.29 172.87 1ntz s HIS 122 N 1.08 3.32 0.31 0.91 5.65 -1.26 -4.97 115.29 120.33 1ntz s HIS 122 Ca -0.06 1.53 -0.01 0.00 0.25 0.00 0.00 55.06 56.77 1ntz s HIS 122 Cb -0.05 -2.85 0.47 0.00 -1.18 0.00 0.00 32.58 28.96 1ntz s HIS 122 CO -0.11 -0.37 1.96 0.22 -0.65 0.00 0.00 174.74 175.80 1ntz h ASP 123 N 1.31 0.90 0.29 9.88 3.58 -1.96 -2.82 116.42 127.60 1ntz h ASP 123 Ca -0.48 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 56.94 1ntz h ASP 123 Cb 1.19 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 42.01 1ntz h ASP 123 CO 0.61 0.67 0.00 0.18 -2.88 0.00 0.00 179.24 177.82 1ntz n LEU 124 N -4.40 0.00 -0.72 2.28 4.77 -1.26 -1.47 117.00 116.20 1ntz n LEU 124 Ca 0.08 0.26 0.07 0.00 -0.03 0.00 0.00 56.01 56.39 1ntz n LEU 124 Cb 0.05 -0.26 0.14 0.00 -2.33 0.00 0.00 43.42 41.02 1ntz n LEU 124 CO 0.37 -0.11 0.59 -1.84 -1.33 0.00 0.00 177.39 175.07 1ntz n GLU 125 N -1.26 2.15 0.00 3.23 0.28 -1.06 -4.26 120.64 119.72 1ntz n GLU 125 Ca 0.09 -1.88 0.03 0.00 -0.16 0.00 0.00 57.16 55.24 1ntz n GLU 125 Cb 0.13 -1.31 -0.03 0.00 1.43 0.00 0.00 31.44 31.65 1ntz n GLU 125 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1ntz n ARG 126 N 0.79 4.17 -4.15 3.44 1.74 -0.54 -5.01 116.66 117.10 1ntz n ARG 126 Ca 0.12 -0.10 -0.11 0.00 -0.77 0.00 0.00 57.85 56.99 1ntz n ARG 126 Cb 0.43 -0.87 -0.10 0.00 -1.02 0.00 0.00 32.46 30.90 1ntz n ARG 126 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1ntz s VAL 127 N -1.56 0.66 -0.26 1.55 -7.23 -1.09 -4.72 120.40 107.74 1ntz s VAL 127 Ca 0.03 -1.78 -0.05 0.00 -1.81 0.00 0.00 61.98 58.38 1ntz s VAL 127 Cb 0.06 -1.49 -0.16 0.00 0.56 0.00 0.00 36.38 35.35 1ntz s VAL 127 CO 0.27 -0.79 -0.24 0.29 -0.31 0.00 0.00 175.10 174.32 1ntz n LYS 128 N 0.23 0.63 -4.34 4.82 5.02 -1.26 -4.84 118.16 118.42 1ntz n LYS 128 Ca -0.14 0.20 -0.34 0.00 -2.02 0.00 0.00 58.31 56.02 1ntz n LYS 128 Cb 0.60 -1.52 -0.14 0.00 -0.02 0.00 0.00 35.03 33.95 1ntz n LYS 128 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1ntz s LYS 129 N -2.51 3.45 0.50 1.97 1.02 -1.26 -5.03 119.74 117.88 1ntz s LYS 129 Ca -0.36 -0.62 0.30 0.00 0.02 0.00 0.00 55.97 55.31 1ntz s LYS 129 Cb 0.11 -2.85 1.41 0.00 -0.52 0.00 0.00 37.83 35.98 1ntz s LYS 129 CO 0.57 0.06 1.82 -1.35 -0.92 0.00 0.00 175.35 175.53 1ntz h PRO 130 N 7.26 0.10 -0.16 -1.68 0.11 -1.99 -1.87 132.00 133.79 1ntz h PRO 130 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1ntz h PRO 130 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ntz h PRO 130 CO 0.59 0.07 0.00 -0.85 -0.21 0.00 0.00 178.00 177.60 1ntz n GLU 131 N -4.32 1.54 -3.77 1.05 0.00 -1.26 -4.78 120.64 109.09 1ntz n GLU 131 Ca 0.23 -0.82 -0.25 0.00 0.00 0.00 0.00 57.16 56.32 1ntz n GLU 131 Cb 1.06 -1.32 -0.17 0.00 0.00 0.00 0.00 31.44 31.01 1ntz n GLU 131 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1ntz s TRP 132 N -1.80 0.89 -0.19 -1.84 0.52 -0.70 -1.53 118.94 114.29 1ntz s TRP 132 Ca 0.27 -0.49 -0.02 0.00 0.02 0.00 0.00 56.10 55.88 1ntz s TRP 132 Cb 0.14 -0.93 -0.01 0.00 -1.15 0.00 0.00 33.47 31.52 1ntz s TRP 132 CO 0.21 -0.45 -0.08 0.54 0.02 0.00 0.00 176.95 177.18 1ntz s VAL 133 N 1.90 3.14 -0.18 4.03 0.11 -1.02 -4.51 120.40 123.87 1ntz s VAL 133 Ca 0.03 -0.58 -0.01 0.00 -2.93 0.00 0.00 61.98 58.48 1ntz s VAL 133 Cb -0.14 -2.39 -0.00 0.00 -1.53 0.00 0.00 36.38 32.31 1ntz s VAL 133 CO -0.07 0.46 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.42 1ntz s ILE 134 N 1.18 2.94 0.12 7.04 1.01 -1.26 -1.40 121.20 130.83 1ntz s ILE 134 Ca 0.02 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1ntz s ILE 134 Cb -0.14 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 1ntz s ILE 134 CO -0.03 0.49 -0.01 -0.76 0.00 0.00 0.00 174.94 174.64 1ntz s LEU 135 N 1.01 2.19 -0.11 2.97 1.43 -0.14 -4.22 118.68 121.81 1ntz s LEU 135 Ca -0.01 -1.11 -0.21 0.00 -1.03 0.00 0.00 54.13 51.76 1ntz s LEU 135 Cb -0.15 0.08 -0.04 0.00 0.03 0.00 0.00 46.19 46.11 1ntz s LEU 135 CO -0.02 -0.59 0.62 -0.63 0.23 0.00 0.00 176.35 175.96 1ntz s ILE 136 N -3.80 5.09 0.00 -0.59 -1.09 -0.72 0.52 121.20 120.62 1ntz s ILE 136 Ca 0.18 1.25 -0.04 0.00 -2.23 0.00 0.00 60.65 59.80 1ntz s ILE 136 Cb 0.07 -3.95 -0.20 0.00 -1.58 0.00 0.00 42.46 36.79 1ntz s ILE 136 CO -0.01 0.25 2.86 0.61 -1.23 0.00 0.00 174.94 177.42 1ntz n GLY 137 N 3.28 2.52 2.84 6.18 0.00 0.31 -4.58 105.19 115.74 1ntz n GLY 137 Ca -0.03 -0.90 -0.26 0.00 0.00 0.00 0.00 46.02 44.83 1ntz n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ntz s VAL 138 N 1.45 0.77 0.25 1.61 1.01 -1.26 -4.25 120.40 119.99 1ntz s VAL 138 Ca 0.50 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 1ntz s VAL 138 Cb 0.24 -0.91 -0.09 0.00 0.00 0.00 0.00 36.38 35.62 1ntz s VAL 138 CO 0.00 0.24 1.24 0.00 0.00 0.00 0.00 175.10 176.59 1ntz n THR 140 N 1.75 0.78 0.00 0.00 -2.24 -1.26 -1.69 114.28 111.62 1ntz n THR 140 Ca 0.02 0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1ntz n THR 140 Cb 0.43 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 1ntz n THR 140 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1ntz n HIS 141 N -1.60 0.00 -1.62 4.78 -0.00 -1.26 -4.49 115.22 111.03 1ntz n HIS 141 Ca 0.04 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.82 1ntz n HIS 141 Cb 0.22 0.00 0.16 0.00 -0.00 0.00 0.00 29.99 30.37 1ntz n HIS 141 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1ntz n LEU 142 N -0.45 2.33 -0.30 0.27 4.77 -1.26 -5.00 117.00 117.37 1ntz n LEU 142 Ca 0.00 -3.40 -0.04 0.00 -0.03 0.00 0.00 56.01 52.54 1ntz n LEU 142 Cb 0.00 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.65 1ntz n LEU 142 CO 0.00 1.11 -0.04 0.61 -1.33 0.00 0.00 177.39 177.75 1ntz n GLY 143 N -0.95 0.67 3.82 -0.72 0.00 -0.68 -5.00 105.19 102.34 1ntz n GLY 143 Ca 0.16 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 1ntz n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ntz s VAL 145 N -3.56 4.56 0.20 0.00 1.01 -1.26 -0.26 120.40 121.08 1ntz s VAL 145 Ca 0.71 -0.09 -0.31 0.00 0.00 0.00 0.00 61.98 62.29 1ntz s VAL 145 Cb -0.07 -3.14 -0.11 0.00 0.00 0.00 0.00 36.38 33.06 1ntz s VAL 145 CO 0.53 0.32 1.60 -2.84 0.00 0.00 0.00 175.10 174.72 1ntz s PRO 146 N 1.62 4.19 -0.10 2.72 0.02 -1.26 -4.74 135.00 137.44 1ntz s PRO 146 Ca 0.06 2.45 -0.25 0.00 0.02 0.00 0.00 61.00 63.28 1ntz s PRO 146 Cb -0.15 -3.11 -0.03 0.00 0.02 0.00 0.00 34.50 31.23 1ntz s PRO 146 CO 0.05 -0.63 0.81 0.42 -0.33 0.00 0.00 177.00 177.32 1ntz s ILE 147 N 0.93 4.94 0.42 2.83 1.01 0.56 -4.79 121.20 127.11 1ntz s ILE 147 Ca 0.70 1.63 -0.26 0.00 0.00 0.00 0.00 60.65 62.71 1ntz s ILE 147 Cb -0.46 -4.13 -0.09 0.00 0.01 0.00 0.00 42.46 37.79 1ntz s ILE 147 CO 0.34 0.13 1.44 0.00 0.00 0.00 0.00 174.94 176.86 1ntz s ALA 148 N 1.47 3.37 -1.38 9.38 0.00 -1.26 -2.05 121.76 131.29 1ntz s ALA 148 Ca 0.40 1.50 -0.07 0.00 0.00 0.00 0.00 51.96 53.79 1ntz s ALA 148 Cb -0.18 -3.59 0.03 0.00 0.00 0.00 0.00 23.12 19.38 1ntz s ALA 148 CO 0.17 -1.12 0.95 0.09 0.00 0.00 0.00 175.76 175.85 1ntz n ASN 149 N 0.09 -3.69 -4.09 0.00 3.02 -0.46 -4.94 115.26 105.19 1ntz n ASN 149 Ca 0.03 -0.72 -0.07 0.00 -0.03 0.00 0.00 54.58 53.80 1ntz n ASN 149 Cb 0.41 -4.37 -0.10 0.00 -0.61 0.00 0.00 39.78 35.11 1ntz n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ntz s ALA 150 N -3.42 0.49 0.00 5.41 0.00 -1.25 -4.92 121.76 118.07 1ntz s ALA 150 Ca 0.36 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1ntz s ALA 150 Cb -0.17 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.22 1ntz s ALA 150 CO 0.79 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.59 1ntz n GLY 151 N 0.14 1.22 0.22 0.00 0.00 -1.26 -3.27 105.19 102.24 1ntz n GLY 151 Ca -0.14 -2.07 0.15 0.00 0.00 0.00 0.00 46.02 43.96 1ntz n GLY 151 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ntz h ASP 152 N 0.00 0.00 -0.27 1.61 3.32 -1.90 -3.27 116.42 115.90 1ntz h ASP 152 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ntz h ASP 152 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ntz h ASP 152 CO 0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 1ntz n PHE 153 N -2.80 0.77 -3.55 4.55 3.01 -1.26 -4.99 117.46 113.20 1ntz n PHE 153 Ca 0.02 -0.77 -0.26 0.00 1.01 0.00 0.00 57.45 57.45 1ntz n PHE 153 Cb 0.32 -0.22 0.03 0.00 -0.01 0.00 0.00 39.48 39.59 1ntz n PHE 153 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ntz n GLY 154 N -0.24 -0.51 0.00 1.37 0.00 -1.24 -4.22 105.19 100.36 1ntz n GLY 154 Ca 0.18 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1ntz n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ntz n GLY 155 N -1.55 0.19 3.02 -0.02 0.00 -1.21 -4.46 105.19 101.16 1ntz n GLY 155 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1ntz n GLY 155 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ntz s TYR 156 N 0.00 0.31 -0.03 1.61 1.51 -0.57 -1.36 117.35 118.82 1ntz s TYR 156 Ca 0.00 -0.64 -0.00 0.00 -1.01 0.00 0.00 57.07 55.41 1ntz s TYR 156 Cb 0.00 -0.23 0.03 0.00 -0.11 0.00 0.00 41.96 41.65 1ntz s TYR 156 CO 0.00 -0.25 0.02 -0.47 -1.11 0.00 0.00 175.55 173.75 1ntz s TYR 157 N -2.10 0.19 -0.37 2.71 5.04 -0.87 0.54 117.35 122.49 1ntz s TYR 157 Ca -0.10 0.09 -0.13 0.00 -2.44 0.00 0.00 57.07 54.49 1ntz s TYR 157 Cb -0.05 -0.39 0.01 0.00 0.35 0.00 0.00 41.96 41.88 1ntz s TYR 157 CO -0.03 -0.14 0.24 0.00 -1.34 0.00 0.00 175.55 174.28 1ntz h PRO 159 N 8.51 0.00 -0.29 0.00 0.13 -1.87 -2.47 132.00 136.01 1ntz h PRO 159 Ca -0.28 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.82 1ntz h PRO 159 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1ntz h PRO 159 CO 0.68 0.00 0.10 0.00 -0.23 0.00 0.00 178.00 178.54 1ntz n HIS 161 N -4.72 0.00 -2.08 0.00 8.25 -1.25 -5.05 115.22 110.37 1ntz n HIS 161 Ca -0.02 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1ntz n HIS 161 Cb 0.15 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.24 1ntz n HIS 161 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ntz n GLY 162 N -0.01 0.71 3.60 -1.41 0.00 -1.02 -4.60 105.19 102.48 1ntz n GLY 162 Ca 0.00 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 1ntz n GLY 162 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ntz s SER 163 N -2.88 6.57 -0.22 1.61 0.01 -0.96 -3.80 113.70 114.02 1ntz s SER 163 Ca 0.00 0.52 -0.10 0.00 1.31 0.00 0.00 55.95 57.68 1ntz s SER 163 Cb 0.00 -2.37 -0.05 0.00 0.21 0.00 0.00 66.02 63.82 1ntz s SER 163 CO 0.00 -0.55 0.14 -1.00 0.41 0.00 0.00 173.24 172.24 1ntz s HIS 164 N 2.77 3.33 0.22 2.43 0.09 0.03 -0.13 115.29 124.04 1ntz s HIS 164 Ca 0.28 0.22 0.11 0.00 -0.00 0.00 0.00 55.06 55.68 1ntz s HIS 164 Cb -0.15 -2.21 -0.05 0.00 -0.00 0.00 0.00 32.58 30.18 1ntz s HIS 164 CO 0.12 0.14 -0.20 0.71 -0.00 0.00 0.00 174.74 175.52 1ntz s TYR 165 N 0.76 2.36 0.15 1.40 1.51 0.19 -1.88 117.35 121.83 1ntz s TYR 165 Ca 0.07 -0.32 0.01 0.00 -1.01 0.00 0.00 57.07 55.82 1ntz s TYR 165 Cb -0.13 -1.11 0.03 0.00 -0.11 0.00 0.00 41.96 40.64 1ntz s TYR 165 CO 0.02 0.58 0.20 -0.40 -1.11 0.00 0.00 175.55 174.84 1ntz n ASP 166 N -0.11 0.42 0.00 2.29 5.68 -0.98 -1.51 116.55 122.34 1ntz n ASP 166 Ca -0.10 -1.32 0.08 0.00 -0.50 0.00 0.00 54.79 52.95 1ntz n ASP 166 Cb 0.57 -0.12 0.41 0.00 -1.14 0.00 0.00 41.12 40.84 1ntz n ASP 166 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ntz n ALA 167 N -2.89 1.89 0.80 2.12 0.00 -1.26 -1.58 120.51 119.59 1ntz n ALA 167 Ca -0.03 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.42 1ntz n ALA 167 Cb 0.14 -1.26 -0.10 0.00 0.00 0.00 0.00 19.45 18.22 1ntz n ALA 167 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ntz n SER 168 N -1.29 0.84 0.00 0.00 2.88 -1.26 -4.89 113.62 109.91 1ntz n SER 168 Ca 0.08 -0.87 0.00 0.00 -1.33 0.00 0.00 58.87 56.74 1ntz n SER 168 Cb 0.13 1.05 0.00 0.00 -0.75 0.00 0.00 64.21 64.64 1ntz n SER 168 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ntz n GLY 169 N 1.43 0.86 3.76 0.46 0.00 -0.62 -4.93 105.19 106.15 1ntz n GLY 169 Ca 0.03 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1ntz n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ntz s ARG 170 N -0.72 4.79 0.03 1.61 0.52 -1.26 -1.55 118.95 122.38 1ntz s ARG 170 Ca 0.00 1.49 -0.30 0.00 -0.52 0.00 0.00 55.73 56.39 1ntz s ARG 170 Cb 0.00 -3.19 -0.05 0.00 0.52 0.00 0.00 34.95 32.23 1ntz s ARG 170 CO 0.00 0.45 1.13 -1.50 0.02 0.00 0.00 175.30 175.40 1ntz s ILE 171 N -1.25 4.32 0.00 1.52 1.10 -1.26 -2.32 121.20 123.30 1ntz s ILE 171 Ca 0.43 1.66 0.00 0.00 -0.51 0.00 0.00 60.65 62.23 1ntz s ILE 171 Cb -0.25 -4.06 0.00 0.00 0.15 0.00 0.00 42.46 38.29 1ntz s ILE 171 CO 0.31 0.12 0.00 0.54 -2.11 0.00 0.00 174.94 173.80 1ntz n ARG 172 N 4.00 2.62 -3.77 3.50 5.12 -0.79 -4.36 116.66 122.99 1ntz n ARG 172 Ca 0.08 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.87 1ntz n ARG 172 Cb 0.48 -0.88 -0.10 0.00 -1.16 0.00 0.00 32.46 30.81 1ntz n ARG 172 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1ntz s LYS 173 N -1.69 0.54 0.00 5.56 2.20 -1.19 -5.00 119.74 120.17 1ntz s LYS 173 Ca 0.00 0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.65 1ntz s LYS 173 Cb 0.00 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.57 1ntz s LYS 173 CO 0.00 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.28 1ntz n GLY 174 N 1.92 -2.72 0.44 5.54 0.00 -1.25 -0.79 105.19 108.33 1ntz n GLY 174 Ca -0.18 -2.15 0.13 0.00 0.00 0.00 0.00 46.02 43.82 1ntz n GLY 174 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ntz n PRO 175 N -0.14 1.60 -1.85 1.61 -0.04 -1.26 -4.93 135.00 129.98 1ntz n PRO 175 Ca 0.00 -0.88 -0.42 0.00 -0.04 0.00 0.00 63.50 62.15 1ntz n PRO 175 Cb 0.00 -1.46 -0.03 0.00 -0.04 0.00 0.00 33.50 31.97 1ntz n PRO 175 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ntz s ALA 176 N -1.95 3.63 0.20 0.55 0.00 -1.26 -4.87 121.76 118.06 1ntz s ALA 176 Ca 0.37 1.16 -0.07 0.00 0.00 0.00 0.00 51.96 53.43 1ntz s ALA 176 Cb 0.20 -3.77 0.14 0.00 0.00 0.00 0.00 23.12 19.69 1ntz s ALA 176 CO 0.32 -1.38 1.65 -1.00 0.00 0.00 0.00 175.76 175.34 1ntz h PRO 177 N 9.57 0.95 -5.13 0.00 0.13 -1.92 -3.47 132.00 132.12 1ntz h PRO 177 Ca -0.44 -0.32 -0.50 0.00 -0.87 0.00 0.00 66.00 63.86 1ntz h PRO 177 Cb 1.21 -0.07 -0.14 0.00 0.13 0.00 0.00 31.00 32.13 1ntz h PRO 177 CO 0.94 0.98 -0.57 -0.51 -0.23 0.00 0.00 178.00 178.62 1ntz s LEU 178 N -9.17 2.08 0.51 1.56 1.43 -1.26 -4.60 118.68 109.23 1ntz s LEU 178 Ca -0.11 -1.50 -0.18 0.00 -1.03 0.00 0.00 54.13 51.31 1ntz s LEU 178 Cb 0.14 -0.27 -0.08 0.00 0.03 0.00 0.00 46.19 46.01 1ntz s LEU 178 CO 0.85 -0.74 1.01 0.20 0.23 0.00 0.00 176.35 177.90 1ntz s ASN 179 N -3.54 6.38 0.27 2.29 0.01 -1.26 -4.48 114.94 114.61 1ntz s ASN 179 Ca 0.31 1.76 -0.30 0.00 -0.71 0.00 0.00 52.86 53.92 1ntz s ASN 179 Cb 0.06 -2.54 -0.13 0.00 0.41 0.00 0.00 41.25 39.06 1ntz s ASN 179 CO 0.15 -0.76 1.37 0.18 -1.51 0.00 0.00 177.10 176.53 1ntz n LEU 180 N -1.34 3.26 -4.71 0.60 4.77 -0.59 -4.86 117.00 114.12 1ntz n LEU 180 Ca 0.08 1.16 -0.42 0.00 -0.03 0.00 0.00 56.01 56.80 1ntz n LEU 180 Cb 0.53 -1.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.14 1ntz n LEU 180 CO 0.43 -0.48 1.26 -0.70 -1.33 0.00 0.00 177.39 176.57 1ntz s GLU 181 N -0.88 4.20 -0.30 3.23 2.12 -1.26 -4.83 118.70 120.98 1ntz s GLU 181 Ca 0.64 2.39 -0.21 0.00 0.36 0.00 0.00 54.97 58.15 1ntz s GLU 181 Cb -0.62 -3.21 -0.01 0.00 0.26 0.00 0.00 34.13 30.55 1ntz s GLU 181 CO 0.54 -0.65 0.65 0.08 -0.54 0.00 0.00 175.26 175.34 1ntz s VAL 182 N 1.38 4.92 0.74 3.70 1.01 -1.26 -1.75 120.40 129.13 1ntz s VAL 182 Ca 0.71 0.91 -0.11 0.00 0.00 0.00 0.00 61.98 63.49 1ntz s VAL 182 Cb -0.44 -4.02 0.04 0.00 0.00 0.00 0.00 36.38 31.96 1ntz s VAL 182 CO 0.32 -0.15 1.08 -2.16 0.00 0.00 0.00 175.10 174.19 1ntz s PRO 183 N 2.65 2.51 -0.18 2.72 0.04 -1.26 -4.97 135.00 136.51 1ntz s PRO 183 Ca 0.26 1.14 -0.29 0.00 0.04 0.00 0.00 61.00 62.15 1ntz s PRO 183 Cb -0.15 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1ntz s PRO 183 CO 0.12 -1.45 1.52 0.45 0.04 0.00 0.00 177.00 177.68 1ntz s SER 184 N -3.39 6.59 0.12 6.66 0.15 -1.26 -4.96 113.70 117.61 1ntz s SER 184 Ca 0.61 1.73 -0.08 0.00 0.70 0.00 0.00 55.95 58.91 1ntz s SER 184 Cb -0.17 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.60 1ntz s SER 184 CO 0.54 -1.06 0.21 -0.72 1.20 0.00 0.00 173.24 173.40 1ntz s TYR 185 N 4.51 0.34 0.06 3.44 -0.85 -1.26 -0.34 117.35 123.24 1ntz s TYR 185 Ca 0.67 -0.74 -0.18 0.00 -0.52 0.00 0.00 57.07 56.29 1ntz s TYR 185 Cb -0.25 -0.11 0.04 0.00 0.38 0.00 0.00 41.96 42.01 1ntz s TYR 185 CO 0.26 -0.61 0.43 -1.83 -1.52 0.00 0.00 175.55 172.27 1ntz s GLU 186 N -3.93 0.96 -0.31 -3.49 -1.05 -0.96 -5.01 118.70 104.91 1ntz s GLU 186 Ca 0.12 -0.40 -0.12 0.00 -0.15 0.00 0.00 54.97 54.42 1ntz s GLU 186 Cb 0.05 0.43 -0.03 0.00 -0.44 0.00 0.00 34.13 34.13 1ntz s GLU 186 CO -0.05 -0.34 0.21 -0.06 0.95 0.00 0.00 175.26 175.97 1ntz s PHE 187 N -2.68 3.22 -0.79 4.83 0.08 -1.26 -0.96 117.98 120.42 1ntz s PHE 187 Ca -0.04 -0.08 0.26 0.00 0.12 0.00 0.00 56.93 57.19 1ntz s PHE 187 Cb -0.00 -2.42 0.78 0.00 -0.57 0.00 0.00 43.02 40.80 1ntz s PHE 187 CO -0.04 -0.27 1.69 0.25 -0.10 0.00 0.00 175.22 176.75 1ntz n THR 188 N 5.08 0.39 -3.65 0.64 -2.24 -1.16 -4.96 114.28 108.37 1ntz n THR 188 Ca -0.13 -0.21 -0.01 0.00 -2.27 0.00 0.00 64.05 61.43 1ntz n THR 188 Cb 0.51 -0.42 0.01 0.00 -2.10 0.00 0.00 70.33 68.33 1ntz n THR 188 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ntz n SER 189 N -2.03 -0.73 0.20 3.42 3.41 -1.23 -4.97 113.62 111.69 1ntz n SER 189 Ca 0.05 -1.37 0.14 0.00 -0.26 0.00 0.00 58.87 57.44 1ntz n SER 189 Cb 0.41 1.18 0.47 0.00 -0.26 0.00 0.00 64.21 66.00 1ntz n SER 189 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1ntz h ASP 190 N 0.84 0.00 -0.00 4.04 2.03 -2.04 -3.26 116.42 118.04 1ntz h ASP 190 Ca -0.11 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.19 1ntz h ASP 190 Cb 0.51 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.01 1ntz h ASP 190 CO 0.15 0.00 -0.26 -0.90 -1.03 0.00 0.00 179.24 177.20 1ntz n ASP 191 N -2.73 0.31 -4.41 4.15 5.75 -1.26 -4.90 116.55 113.45 1ntz n ASP 191 Ca 0.03 -0.66 -0.30 0.00 -0.01 0.00 0.00 54.79 53.85 1ntz n ASP 191 Cb 0.36 0.97 -0.13 0.00 -1.03 0.00 0.00 41.12 41.29 1ntz n ASP 191 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1ntz s MET 192 N -1.51 1.74 -0.03 0.11 -1.94 -1.23 0.40 119.30 116.83 1ntz s MET 192 Ca 0.02 -1.17 -0.01 0.00 -1.71 0.00 0.00 55.69 52.83 1ntz s MET 192 Cb 0.04 -2.03 0.03 0.00 2.01 0.00 0.00 34.83 34.88 1ntz s MET 192 CO 0.23 0.49 0.03 0.54 -0.01 0.00 0.00 175.02 176.30 1ntz s VAL 193 N -0.98 0.02 -0.39 -6.03 0.11 -0.97 -2.97 120.40 109.20 1ntz s VAL 193 Ca 0.14 0.25 -0.12 0.00 -2.93 0.00 0.00 61.98 59.32 1ntz s VAL 193 Cb -0.10 -0.20 0.02 0.00 -1.53 0.00 0.00 36.38 34.57 1ntz s VAL 193 CO 0.06 0.15 0.24 -0.63 -3.33 0.00 0.00 175.10 171.59 1ntz s ILE 194 N 1.55 4.83 -0.26 7.04 1.01 -0.14 -1.39 121.20 133.85 1ntz s ILE 194 Ca -0.03 -0.77 -0.15 0.00 0.00 0.00 0.00 60.65 59.70 1ntz s ILE 194 Cb -0.13 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 1ntz s ILE 194 CO -0.03 -0.26 0.38 -0.69 0.00 0.00 0.00 174.94 174.35 1ntz s VAL 195 N 1.60 5.18 0.00 2.92 1.01 -1.11 -2.27 120.40 127.73 1ntz s VAL 195 Ca 0.03 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1ntz s VAL 195 Cb -0.19 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1ntz s VAL 195 CO 0.08 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.96