#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1i n HIS 2 N 0.00 0.00 0.09 6.34 -0.00 -1.26 -3.57 115.22 116.82 3h1i n HIS 2 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.73 3h1i n HIS 2 Cb 0.00 -0.03 -0.03 0.00 -0.00 0.00 0.00 29.99 29.93 3h1i n HIS 2 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.34 175.43 3h1i h ASN 3 N 2.01 0.00 -0.24 4.39 2.35 -2.12 -3.28 115.58 118.68 3h1i h ASN 3 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 3h1i h ASN 3 Cb 0.49 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 3h1i h ASN 3 CO 0.00 0.53 0.05 0.47 -1.65 0.00 0.00 177.43 176.82 3h1i n ASP 4 N -3.05 2.86 -4.29 5.81 10.43 -1.23 -4.85 116.55 122.22 3h1i n ASP 4 Ca -0.03 -2.39 -0.32 0.00 2.57 0.00 0.00 54.79 54.61 3h1i n ASP 4 Cb 0.78 -0.58 -0.16 0.00 1.84 0.00 0.00 41.12 43.00 3h1i n ASP 4 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3h1i s VAL 5 N -1.57 2.41 0.04 2.53 1.01 -1.24 -5.01 120.40 118.56 3h1i s VAL 5 Ca 0.20 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.29 3h1i s VAL 5 Cb 0.16 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 3h1i s VAL 5 CO 0.06 0.55 -0.07 0.42 0.00 0.00 0.00 175.10 176.06 3h1i s THR 6 N 0.15 0.48 -0.42 3.92 -4.23 -1.26 -5.08 115.64 109.20 3h1i s THR 6 Ca -0.11 -1.06 -0.29 0.00 -1.18 0.00 0.00 61.69 59.05 3h1i s THR 6 Cb -0.16 -0.56 0.02 0.00 1.34 0.00 0.00 72.50 73.14 3h1i s THR 6 CO 0.06 -0.40 1.17 -0.69 -0.54 0.00 0.00 174.62 174.22 3h1i s VAL 7 N -1.39 4.23 0.93 2.29 1.01 -1.26 -5.00 120.40 121.20 3h1i s VAL 7 Ca -0.11 1.31 -0.12 0.00 0.00 0.00 0.00 61.98 63.06 3h1i s VAL 7 Cb -0.10 -4.49 0.11 0.00 0.00 0.00 0.00 36.38 31.91 3h1i s VAL 7 CO 0.00 -0.83 0.13 -2.65 0.00 0.00 0.00 175.10 171.75 3h1i n PRO 8 N 7.62 -1.71 -2.74 2.72 -0.02 -1.26 -4.87 135.00 134.75 3h1i n PRO 8 Ca 0.13 -0.50 -0.43 0.00 -2.02 0.00 0.00 63.50 60.68 3h1i n PRO 8 Cb 0.48 -1.37 -0.03 0.00 -0.02 0.00 0.00 33.50 32.56 3h1i n PRO 8 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3h1i s ASP 9 N -1.74 6.80 -0.20 2.55 2.15 -1.26 -4.89 116.67 120.07 3h1i s ASP 9 Ca 0.31 0.81 0.15 0.00 0.43 0.00 0.00 52.55 54.26 3h1i s ASP 9 Cb -0.04 -2.50 0.68 0.00 -0.30 0.00 0.00 42.92 40.76 3h1i s ASP 9 CO 0.32 -0.85 1.59 0.49 -0.17 0.00 0.00 175.17 176.55 3h1i n PHE 10 N 6.78 1.53 -0.25 -5.34 0.99 -1.26 -4.53 117.46 115.38 3h1i n PHE 10 Ca 0.09 -0.78 -0.06 0.00 -0.00 0.00 0.00 57.45 56.70 3h1i n PHE 10 Cb 0.48 -0.40 0.05 0.00 -1.00 0.00 0.00 39.48 38.60 3h1i n PHE 10 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 3h1i h SER 11 N 3.01 0.82 -1.27 4.37 0.02 -1.95 -0.16 113.55 118.40 3h1i h SER 11 Ca 0.00 -0.06 0.37 0.00 -0.84 0.00 0.00 61.79 61.25 3h1i h SER 11 Cb 1.70 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 63.98 3h1i h SER 11 CO 0.35 0.64 1.02 0.00 -1.14 0.00 0.00 176.83 177.70 3h1i h ALA 12 N 1.21 3.17 0.00 3.77 0.00 -2.02 -2.27 119.26 123.12 3h1i h ALA 12 Ca 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3h1i h ALA 12 Cb -0.03 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3h1i h ALA 12 CO -0.05 -1.67 -1.15 0.66 0.00 0.00 0.00 179.25 177.04 3h1i n TYR 13 N -3.89 0.00 -1.61 0.00 4.01 -0.83 -5.06 117.16 109.79 3h1i n TYR 13 Ca 0.28 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.63 3h1i n TYR 13 Cb 1.42 -0.09 0.03 0.00 -0.31 0.00 0.00 39.34 40.40 3h1i n TYR 13 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3h1i n ARG 14 N -1.62 1.09 -2.42 -0.72 1.74 -0.13 -4.95 116.66 109.65 3h1i n ARG 14 Ca -0.01 0.41 -0.34 0.00 -0.77 0.00 0.00 57.85 57.13 3h1i n ARG 14 Cb 0.10 -2.10 -0.02 0.00 -1.02 0.00 0.00 32.46 29.42 3h1i n ARG 14 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3h1i s ARG 15 N -2.40 3.60 0.24 5.56 0.52 -1.26 -4.93 118.95 120.28 3h1i s ARG 15 Ca 0.70 1.47 -0.10 0.00 -0.52 0.00 0.00 55.73 57.28 3h1i s ARG 15 Cb -0.47 -2.05 0.36 0.00 0.52 0.00 0.00 34.95 33.30 3h1i s ARG 15 CO 0.52 -0.62 1.60 1.49 0.02 0.00 0.00 175.30 178.31 3h1i h GLU 16 N 1.40 0.01 0.00 3.54 4.81 -1.97 -2.43 114.58 119.94 3h1i h GLU 16 Ca -0.50 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3h1i h GLU 16 Cb 1.24 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 3h1i h GLU 16 CO 0.58 0.01 0.00 -0.25 -0.73 0.00 0.00 179.01 178.62 3h1i n ASP 17 N -5.51 0.00 -2.61 1.04 8.00 -1.26 -3.15 116.55 113.07 3h1i n ASP 17 Ca 0.12 0.06 -0.08 0.00 0.71 0.00 0.00 54.79 55.60 3h1i n ASP 17 Cb 0.42 -0.26 0.04 0.00 -0.02 0.00 0.00 41.12 41.30 3h1i n ASP 17 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3h1i n VAL 18 N -1.26 1.57 0.02 2.53 0.24 -0.91 -4.80 118.33 115.72 3h1i n VAL 18 Ca 0.06 -3.35 0.11 0.00 -2.04 0.00 0.00 64.34 59.12 3h1i n VAL 18 Cb 0.09 0.51 -0.15 0.00 -1.47 0.00 0.00 33.84 32.82 3h1i n VAL 18 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 3h1i n MET 19 N -0.53 0.64 -3.21 7.34 0.00 -1.19 -4.78 117.12 115.39 3h1i n MET 19 Ca 0.18 -0.16 -0.42 0.00 0.00 0.00 0.00 57.70 57.30 3h1i n MET 19 Cb 0.83 -1.55 -0.08 0.00 0.00 0.00 0.00 33.22 32.43 3h1i n MET 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3h1i s ASP 20 N -4.58 6.34 0.00 6.12 2.15 -1.26 -4.93 116.67 120.51 3h1i s ASP 20 Ca -0.07 -0.02 0.00 0.00 0.43 0.00 0.00 52.55 52.89 3h1i s ASP 20 Cb 0.14 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.47 3h1i s ASP 20 CO 0.90 -0.52 0.16 0.00 -0.17 0.00 0.00 175.17 175.54 3h1i n ALA 21 N 5.83 1.53 -1.03 3.66 0.00 -1.26 -2.28 120.51 126.96 3h1i n ALA 21 Ca -0.04 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.42 3h1i n ALA 21 Cb 0.49 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.96 3h1i n ALA 21 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3h1i n THR 22 N -0.08 0.56 -4.25 0.00 -2.24 -1.26 -5.04 114.28 101.97 3h1i n THR 22 Ca 0.00 -0.62 -0.25 0.00 -2.27 0.00 0.00 64.05 60.91 3h1i n THR 22 Cb 0.02 0.55 -0.17 0.00 -2.10 0.00 0.00 70.33 68.63 3h1i n THR 22 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3h1i s THR 23 N -0.73 0.98 -0.35 4.28 2.01 -0.97 -5.09 115.64 115.78 3h1i s THR 23 Ca 0.05 -0.33 -0.36 0.00 0.31 0.00 0.00 61.69 61.36 3h1i s THR 23 Cb 0.05 -0.95 -0.12 0.00 0.01 0.00 0.00 72.50 71.49 3h1i s THR 23 CO 0.01 0.34 2.16 -0.24 -0.69 0.00 0.00 174.62 176.19 3h1i n SER 24 N 4.30 2.06 -0.17 3.53 2.88 -1.26 -4.83 113.62 120.13 3h1i n SER 24 Ca -0.19 0.47 0.03 0.00 -1.33 0.00 0.00 58.87 57.85 3h1i n SER 24 Cb 0.51 -1.23 0.31 0.00 -0.75 0.00 0.00 64.21 63.05 3h1i n SER 24 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3h1i h SER 25 N 11.88 0.73 -0.99 -3.46 4.64 -1.94 -3.14 113.55 121.26 3h1i h SER 25 Ca -0.27 -0.01 0.39 0.00 -0.47 0.00 0.00 61.79 61.43 3h1i h SER 25 Cb 1.33 -0.17 -0.15 0.00 -0.31 0.00 0.00 62.40 63.09 3h1i h SER 25 CO 1.02 0.51 0.57 0.00 -0.87 0.00 0.00 176.83 178.06 3h1i n GLN 26 N -4.45 -0.05 -0.02 4.77 1.13 -1.26 -0.91 117.38 116.59 3h1i n GLN 26 Ca 0.08 1.21 -0.16 0.00 -1.94 0.00 0.00 57.00 56.20 3h1i n GLN 26 Cb 0.11 -2.23 -0.10 0.00 0.11 0.00 0.00 30.24 28.13 3h1i n GLN 26 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 3h1i h THR 27 N 0.00 1.45 -0.25 5.09 1.35 -1.95 -3.19 112.91 115.41 3h1i h THR 27 Ca 0.77 -1.87 -0.12 0.00 -0.55 0.00 0.00 66.41 64.65 3h1i h THR 27 Cb 2.17 2.50 -0.07 0.00 -1.73 0.00 0.00 68.15 71.02 3h1i h THR 27 CO -0.62 0.53 0.15 -1.54 -0.25 0.00 0.00 175.52 173.79 3h1i n SER 28 N -4.39 3.04 -0.06 5.36 3.41 -0.08 -3.92 113.62 116.97 3h1i n SER 28 Ca -0.09 -2.41 -0.04 0.00 -0.26 0.00 0.00 58.87 56.07 3h1i n SER 28 Cb 0.54 -0.59 -0.01 0.00 -0.26 0.00 0.00 64.21 63.89 3h1i n SER 28 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3h1i n SER 29 N 0.07 1.56 -0.24 4.04 3.41 -0.93 -3.48 113.62 118.05 3h1i n SER 29 Ca 0.15 0.54 0.23 0.00 -0.26 0.00 0.00 58.87 59.53 3h1i n SER 29 Cb 0.76 -0.80 0.41 0.00 -0.26 0.00 0.00 64.21 64.32 3h1i n SER 29 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3h1i n GLU 30 N -4.26 -0.03 0.04 4.33 -0.58 -1.25 0.10 120.64 118.98 3h1i n GLU 30 Ca -0.07 0.89 -0.10 0.00 -0.42 0.00 0.00 57.16 57.46 3h1i n GLU 30 Cb 0.26 -1.64 -0.07 0.00 -0.57 0.00 0.00 31.44 29.41 3h1i n GLU 30 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 3h1i h ASP 31 N 0.00 -0.16 -0.98 1.62 3.32 -1.80 -1.36 116.42 117.06 3h1i h ASP 31 Ca 0.57 -0.35 0.25 0.00 0.02 0.00 0.00 57.03 57.52 3h1i h ASP 31 Cb 1.62 0.04 -0.07 0.00 0.22 0.00 0.00 39.33 41.14 3h1i h ASP 31 CO -0.45 0.42 0.66 0.03 -1.72 0.00 0.00 179.24 178.19 3h1i h ARG 32 N -0.91 0.27 0.11 3.56 3.08 0.63 -1.17 114.38 119.94 3h1i h ARG 32 Ca -0.02 -0.02 -0.24 0.00 0.07 0.00 0.00 59.98 59.78 3h1i h ARG 32 Cb 0.51 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3h1i h ARG 32 CO 0.03 0.18 -1.18 0.87 -1.07 0.00 0.00 179.97 178.80 3h1i h LYS 33 N 0.28 0.23 -0.79 0.04 1.57 -1.39 -3.23 116.57 113.28 3h1i h LYS 33 Ca 0.51 -0.40 0.18 0.00 -1.87 0.00 0.00 60.65 59.08 3h1i h LYS 33 Cb 1.52 0.15 -0.14 0.00 0.08 0.00 0.00 32.23 33.84 3h1i h LYS 33 CO -0.16 1.19 0.01 0.78 -0.57 0.00 0.00 179.45 180.69 3h1i h GLY 34 N -0.16 0.90 0.00 3.86 0.00 -0.10 0.26 103.07 107.83 3h1i h GLY 34 Ca -0.25 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3h1i h GLY 34 CO 0.06 -0.32 0.00 0.33 0.00 0.00 0.00 176.54 176.62 3h1i n PHE 35 N -5.36 0.00 -0.28 5.60 7.35 -0.62 -0.11 117.46 124.04 3h1i n PHE 35 Ca 0.15 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.89 3h1i n PHE 35 Cb 0.51 -0.19 0.12 0.00 0.35 0.00 0.00 39.48 40.27 3h1i n PHE 35 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 3h1i n SER 36 N -1.08 -0.27 -0.05 -2.13 7.64 -1.11 0.26 113.62 116.88 3h1i n SER 36 Ca 0.00 1.36 0.00 0.00 1.01 0.00 0.00 58.87 61.24 3h1i n SER 36 Cb 0.00 -0.42 0.30 0.00 -1.01 0.00 0.00 64.21 63.09 3h1i n SER 36 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 3h1i h TYR 37 N 0.00 0.64 0.07 1.43 0.99 -0.47 -2.28 116.97 117.34 3h1i h TYR 37 Ca 0.39 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.08 3h1i h TYR 37 Cb 0.61 -0.20 -0.00 0.00 1.00 0.00 0.00 36.73 38.14 3h1i h TYR 37 CO -0.59 0.52 -0.05 1.25 -0.00 0.00 0.00 178.16 179.29 3h1i h LEU 38 N 0.63 -0.12 0.07 3.88 5.85 0.71 0.68 115.31 127.01 3h1i h LEU 38 Ca 0.15 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.90 3h1i h LEU 38 Cb 0.17 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3h1i h LEU 38 CO -0.01 -0.08 -0.42 0.58 -0.34 0.00 0.00 178.44 178.17 3h1i h VAL 39 N -0.12 0.15 0.04 1.05 2.07 -0.88 0.15 116.25 118.71 3h1i h VAL 39 Ca -0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.54 3h1i h VAL 39 Cb 0.11 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 29.97 3h1i h VAL 39 CO -0.00 0.00 -0.43 0.74 0.02 0.00 0.00 177.57 177.89 3h1i h THR 40 N -0.63 0.14 -0.74 2.57 2.02 -1.19 0.26 112.91 115.34 3h1i h THR 40 Ca 0.03 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.38 3h1i h THR 40 Cb 0.67 0.14 -0.12 0.00 -1.74 0.00 0.00 68.15 67.10 3h1i h THR 40 CO -0.27 0.00 0.06 0.00 0.37 0.00 0.00 175.52 175.67 3h1i h ALA 41 N -0.12 0.83 0.31 6.16 0.00 0.81 -0.10 119.26 127.14 3h1i h ALA 41 Ca 0.04 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3h1i h ALA 41 Cb 0.67 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3h1i h ALA 41 CO -0.30 -0.40 -0.15 1.15 0.00 0.00 0.00 179.25 179.55 3h1i h THR 42 N 0.15 0.70 -0.97 0.00 2.02 0.11 -1.97 112.91 112.94 3h1i h THR 42 Ca 0.41 -0.06 0.32 0.00 0.77 0.00 0.00 66.41 67.85 3h1i h THR 42 Cb 0.72 0.74 -0.16 0.00 -1.74 0.00 0.00 68.15 67.71 3h1i h THR 42 CO -0.61 0.01 0.44 0.00 0.37 0.00 0.00 175.52 175.73 3h1i h ALA 43 N 0.24 1.78 0.43 6.16 0.00 0.12 0.44 119.26 128.44 3h1i h ALA 43 Ca -0.04 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3h1i h ALA 43 Cb 0.34 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3h1i h ALA 43 CO 0.07 -0.64 -0.24 0.00 0.00 0.00 0.00 179.25 178.44 3h1i h VAL 45 N -0.63 0.53 0.00 0.00 2.07 0.19 0.50 116.25 118.90 3h1i h VAL 45 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3h1i h VAL 45 Cb 0.51 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3h1i h VAL 45 CO 0.07 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.66 3h1i n ALA 46 N -2.78 -0.10 -0.28 1.67 0.00 0.56 -0.83 120.51 118.75 3h1i n ALA 46 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.39 3h1i n ALA 46 Cb 0.25 0.27 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 3h1i n ALA 46 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3h1i n THR 47 N -1.96 -0.46 0.00 0.00 -1.04 -0.03 -0.95 114.28 109.84 3h1i n THR 47 Ca 0.00 1.90 0.00 0.00 -2.04 0.00 0.00 64.05 63.91 3h1i n THR 47 Cb 0.00 -2.37 0.00 0.00 -1.82 0.00 0.00 70.33 66.14 3h1i n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h1i n ALA 48 N -3.25 0.00 -0.21 2.41 0.00 0.17 -0.58 120.51 119.05 3h1i n ALA 48 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.38 3h1i n ALA 48 Cb 0.17 0.37 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 3h1i n ALA 48 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3h1i h TYR 49 N 0.00 -1.21 -0.04 0.00 3.20 0.87 0.38 116.97 120.17 3h1i h TYR 49 Ca 0.00 0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.96 3h1i h TYR 49 Cb 0.00 0.61 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 3h1i h TYR 49 CO -0.69 -0.42 -0.17 0.00 -1.64 0.00 0.00 178.16 175.25 3h1i h ALA 50 N 0.70 -0.57 -0.28 1.82 0.00 0.12 -2.22 119.26 118.83 3h1i h ALA 50 Ca 0.19 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3h1i h ALA 50 Cb 0.56 0.71 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 3h1i h ALA 50 CO -0.69 -0.63 -0.32 0.00 0.00 0.00 0.00 179.25 177.61 3h1i h ALA 51 N -1.08 -0.54 -0.55 0.00 0.00 -0.10 -1.45 119.26 115.54 3h1i h ALA 51 Ca 0.01 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3h1i h ALA 51 Cb 0.21 0.98 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 3h1i h ALA 51 CO -0.13 -0.70 -0.33 1.17 0.00 0.00 0.00 179.25 179.25 3h1i n LYS 52 N -4.23 -0.24 -0.13 0.00 0.00 0.13 0.62 118.16 114.30 3h1i n LYS 52 Ca -0.02 0.99 -0.04 0.00 0.00 0.00 0.00 58.31 59.24 3h1i n LYS 52 Cb 0.19 -1.46 0.04 0.00 0.00 0.00 0.00 35.03 33.80 3h1i n LYS 52 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 3h1i h ASN 53 N 0.00 -0.01 -0.74 3.14 2.35 -0.74 0.41 115.58 119.98 3h1i h ASN 53 Ca 0.09 0.08 0.09 0.00 -0.55 0.00 0.00 56.30 56.00 3h1i h ASN 53 Cb 0.23 0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.66 3h1i h ASN 53 CO -0.52 0.03 0.49 0.58 -1.65 0.00 0.00 177.43 176.36 3h1i h VAL 54 N 0.21 0.97 0.22 2.81 2.07 0.12 0.59 116.25 123.23 3h1i h VAL 54 Ca 0.21 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3h1i h VAL 54 Cb 0.28 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3h1i h VAL 54 CO -0.29 0.13 -0.11 0.58 0.02 0.00 0.00 177.57 177.90 3h1i h VAL 55 N 0.70 0.00 -0.60 2.57 2.07 0.50 -1.96 116.25 119.53 3h1i h VAL 55 Ca 0.34 -0.22 0.22 0.00 0.82 0.00 0.00 66.70 67.86 3h1i h VAL 55 Cb 0.39 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.05 3h1i h VAL 55 CO -0.12 0.00 0.22 0.41 0.02 0.00 0.00 177.57 178.10 3h1i n THR 56 N -3.39 -0.25 0.00 2.57 -1.04 0.01 0.18 114.28 112.37 3h1i n THR 56 Ca -0.04 1.26 0.00 0.00 -2.04 0.00 0.00 64.05 63.23 3h1i n THR 56 Cb 0.12 -1.97 0.00 0.00 -1.82 0.00 0.00 70.33 66.66 3h1i n THR 56 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h1i n GLN 57 N -4.49 0.00 -0.67 -2.82 6.02 0.17 -2.55 117.38 113.04 3h1i n GLN 57 Ca 0.20 0.00 0.52 0.00 -0.01 0.00 0.00 57.00 57.71 3h1i n GLN 57 Cb 0.67 -0.71 0.82 0.00 1.02 0.00 0.00 30.24 32.04 3h1i n GLN 57 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 3h1i h PHE 58 N 0.00 0.02 -0.13 1.08 0.05 -0.53 0.77 116.94 118.20 3h1i h PHE 58 Ca 0.00 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 61.76 3h1i h PHE 58 Cb 0.00 -0.00 -0.00 0.00 2.00 0.00 0.00 35.95 37.94 3h1i h PHE 58 CO 0.00 -0.01 -0.04 0.82 -0.18 0.00 0.00 178.31 178.90 3h1i h ILE 59 N 0.00 1.30 0.00 -0.55 5.03 -0.34 -2.46 117.51 120.49 3h1i h ILE 59 Ca 0.91 -1.01 0.00 0.00 -0.12 0.00 0.00 64.86 64.64 3h1i h ILE 59 Cb 3.63 1.71 0.00 0.00 -3.03 0.00 0.00 36.82 39.13 3h1i h ILE 59 CO -0.03 0.29 0.00 -1.54 -0.68 0.00 0.00 178.15 176.19 3h1i n SER 60 N -4.72 0.00 0.24 1.72 3.41 0.26 -1.74 113.62 112.79 3h1i n SER 60 Ca -0.06 -0.28 0.06 0.00 -0.26 0.00 0.00 58.87 58.33 3h1i n SER 60 Cb 0.26 -0.14 0.55 0.00 -0.26 0.00 0.00 64.21 64.62 3h1i n SER 60 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3h1i h SER 61 N 0.00 0.00 0.11 4.04 0.87 -0.87 -3.02 113.55 114.67 3h1i h SER 61 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3h1i h SER 61 Cb 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3h1i h SER 61 CO 0.00 0.13 -0.05 -0.07 -0.53 0.00 0.00 176.83 176.30 3h1i h LEU 62 N 0.00 -0.12 -5.28 2.23 3.38 -1.47 -3.48 115.31 110.56 3h1i h LEU 62 Ca -0.00 -0.21 -0.29 0.00 0.09 0.00 0.00 57.88 57.47 3h1i h LEU 62 Cb 0.23 0.03 0.15 0.00 0.09 0.00 0.00 40.66 41.16 3h1i h LEU 62 CO 0.02 0.45 -1.56 -1.20 0.09 0.00 0.00 178.44 176.23 3h1i n SER 63 N -4.85 -1.96 -4.51 -0.43 7.64 -1.14 -4.70 113.62 103.67 3h1i n SER 63 Ca -0.04 0.01 -0.45 0.00 1.01 0.00 0.00 58.87 59.40 3h1i n SER 63 Cb 0.16 -0.31 -0.02 0.00 -1.01 0.00 0.00 64.21 63.03 3h1i n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h1i n ALA 64 N -1.99 -1.26 -1.63 -0.43 0.00 -1.26 -4.97 120.51 108.97 3h1i n ALA 64 Ca -0.01 0.38 -0.10 0.00 0.00 0.00 0.00 53.44 53.70 3h1i n ALA 64 Cb 0.43 -1.85 0.09 0.00 0.00 0.00 0.00 19.45 18.12 3h1i n ALA 64 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3h1i n SER 65 N 1.48 0.16 0.14 0.00 3.41 -1.26 -5.01 113.62 112.54 3h1i n SER 65 Ca 0.13 -1.29 0.12 0.00 -0.26 0.00 0.00 58.87 57.56 3h1i n SER 65 Cb 0.31 -0.45 0.09 0.00 -0.26 0.00 0.00 64.21 63.89 3h1i n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h1i h ALA 66 N -1.64 0.70 -0.19 7.33 0.00 -2.01 -3.29 119.26 120.16 3h1i h ALA 66 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3h1i h ALA 66 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3h1i h ALA 66 CO 0.15 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.00 3h1i n ASP 67 N -2.75 1.42 -4.66 0.00 5.75 -1.26 -4.80 116.55 110.24 3h1i n ASP 67 Ca 0.02 -2.07 -0.40 0.00 -0.01 0.00 0.00 54.79 52.32 3h1i n ASP 67 Cb 0.53 -0.25 -0.05 0.00 -1.03 0.00 0.00 41.12 40.31 3h1i n ASP 67 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3h1i s VAL 68 N -1.66 4.99 0.02 2.12 1.01 -1.24 -5.05 120.40 120.59 3h1i s VAL 68 Ca 0.14 1.27 -0.00 0.00 0.00 0.00 0.00 61.98 63.39 3h1i s VAL 68 Cb 0.08 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.49 3h1i s VAL 68 CO 0.08 0.09 0.02 0.18 0.00 0.00 0.00 175.10 175.47 3h1i n LEU 69 N 5.10 0.00 -2.66 3.92 4.77 -1.26 -5.04 117.00 121.83 3h1i n LEU 69 Ca -0.00 -0.02 -0.04 0.00 -0.03 0.00 0.00 56.01 55.92 3h1i n LEU 69 Cb 0.49 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.64 3h1i n LEU 69 CO 0.45 -1.31 0.60 0.00 -1.33 0.00 0.00 177.39 175.81 3h1i n ALA 70 N -3.04 -3.70 -1.67 -1.18 0.00 -1.26 -5.18 120.51 104.48 3h1i n ALA 70 Ca -0.00 -0.22 -0.16 0.00 0.00 0.00 0.00 53.44 53.06 3h1i n ALA 70 Cb 0.01 -3.33 0.15 0.00 0.00 0.00 0.00 19.45 16.28 3h1i n ALA 70 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3h1i n LEU 71 N 1.63 0.00 0.00 0.00 4.77 -1.26 -5.13 117.00 117.01 3h1i n LEU 71 Ca 0.02 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 3h1i n LEU 71 Cb 0.70 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3h1i n LEU 71 CO -0.14 -1.23 0.00 -1.54 -1.33 0.00 0.00 177.39 173.15 3h1i n SER 72 N -3.67 0.00 0.00 -1.43 3.41 -1.26 -5.13 113.62 105.54 3h1i n SER 72 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 3h1i n SER 72 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 3h1i n SER 72 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h1i n LYS 73 N 0.00 3.93 -3.59 4.33 5.02 -1.26 -4.90 118.16 121.69 3h1i n LYS 73 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 3h1i n LYS 73 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 3h1i n LYS 73 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3h1i s ILE 74 N 1.37 -0.59 0.08 -0.18 2.07 -0.88 -5.03 121.20 118.04 3h1i s ILE 74 Ca 0.00 0.00 -0.23 0.00 -1.41 0.00 0.00 60.65 59.01 3h1i s ILE 74 Cb 0.00 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.52 3h1i s ILE 74 CO 0.00 0.00 0.68 -1.61 -1.91 0.00 0.00 174.94 172.10 3h1i s GLU 75 N 2.40 4.40 -0.09 3.50 2.02 -1.26 -2.62 118.70 127.05 3h1i s GLU 75 Ca -0.06 0.94 -0.02 0.00 0.02 0.00 0.00 54.97 55.85 3h1i s GLU 75 Cb -0.08 -3.29 0.03 0.00 0.10 0.00 0.00 34.13 30.88 3h1i s GLU 75 CO -0.18 0.49 0.01 0.42 0.02 0.00 0.00 175.26 176.01 3h1i s ILE 76 N -0.70 0.35 -0.28 -1.63 1.01 -0.57 -5.03 121.20 114.35 3h1i s ILE 76 Ca 0.34 0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.76 3h1i s ILE 76 Cb -0.21 -0.56 -0.02 0.00 0.01 0.00 0.00 42.46 41.68 3h1i s ILE 76 CO 0.22 0.19 1.78 -0.75 0.00 0.00 0.00 174.94 176.37 3h1i s LYS 77 N 1.98 3.49 0.00 2.79 2.20 -1.26 -1.99 119.74 126.95 3h1i s LYS 77 Ca 0.04 1.58 0.08 0.00 -0.36 0.00 0.00 55.97 57.31 3h1i s LYS 77 Cb -0.13 -4.16 0.39 0.00 -1.51 0.00 0.00 37.83 32.42 3h1i s LYS 77 CO -0.06 -1.67 1.19 1.28 -0.36 0.00 0.00 175.35 175.73 3h1i n LEU 78 N 9.72 0.00 -0.03 5.43 4.77 -0.61 -2.10 117.00 134.18 3h1i n LEU 78 Ca 0.22 0.38 -0.13 0.00 -0.03 0.00 0.00 56.01 56.44 3h1i n LEU 78 Cb 0.46 -0.38 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 3h1i n LEU 78 CO 0.67 -0.27 0.58 0.28 -1.33 0.00 0.00 177.39 177.32 3h1i h SER 79 N 0.00 0.08 -0.58 -1.43 0.02 -1.89 -3.13 113.55 106.62 3h1i h SER 79 Ca 0.00 -0.57 0.17 0.00 -0.84 0.00 0.00 61.79 60.55 3h1i h SER 79 Cb 0.10 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 3h1i h SER 79 CO 0.00 0.63 0.93 0.44 -1.14 0.00 0.00 176.83 177.69 3h1i h ASP 80 N -0.47 0.00 -3.90 3.07 3.32 -1.79 -3.08 116.42 113.57 3h1i h ASP 80 Ca 0.00 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.35 3h1i h ASP 80 Cb 0.62 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 39.81 3h1i h ASP 80 CO 0.01 0.00 -0.29 -0.63 -1.72 0.00 0.00 179.24 176.61 3h1i s ILE 81 N -4.34 3.90 1.16 0.35 1.01 -1.18 -5.09 121.20 117.01 3h1i s ILE 81 Ca -0.02 -3.28 -0.15 0.00 0.00 0.00 0.00 60.65 57.19 3h1i s ILE 81 Cb 0.11 -3.50 0.27 0.00 0.01 0.00 0.00 42.46 39.35 3h1i s ILE 81 CO 0.36 -0.95 1.05 -2.16 0.00 0.00 0.00 174.94 173.25 3h1i s PRO 82 N -0.50 -0.89 0.36 2.79 0.04 -1.17 -4.68 135.00 130.96 3h1i s PRO 82 Ca 0.20 0.41 -0.27 0.00 0.04 0.00 0.00 61.00 61.38 3h1i s PRO 82 Cb -0.16 -1.59 -0.09 0.00 0.04 0.00 0.00 34.50 32.70 3h1i s PRO 82 CO -0.06 -3.59 1.26 -2.00 0.04 0.00 0.00 177.00 172.64 3h1i s GLU 83 N -4.91 4.22 0.00 4.56 2.12 -1.26 -3.65 118.70 119.77 3h1i s GLU 83 Ca 0.68 2.08 0.00 0.00 0.36 0.00 0.00 54.97 58.09 3h1i s GLU 83 Cb -0.18 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.29 3h1i s GLU 83 CO 0.60 -0.25 0.00 0.41 -0.54 0.00 0.00 175.26 175.47 3h1i n GLY 84 N 0.77 0.75 3.21 -1.50 0.00 -0.75 -5.00 105.19 102.67 3h1i n GLY 84 Ca 0.02 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 3h1i n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h1i s LYS 85 N -0.65 0.98 0.14 1.61 2.20 -1.21 -5.04 119.74 117.77 3h1i s LYS 85 Ca 0.00 -1.34 0.06 0.00 -0.36 0.00 0.00 55.97 54.33 3h1i s LYS 85 Cb 0.00 0.28 -0.04 0.00 -1.51 0.00 0.00 37.83 36.56 3h1i s LYS 85 CO 0.00 -0.30 -0.14 1.21 -0.36 0.00 0.00 175.35 175.76 3h1i s ASN 86 N -3.02 2.09 0.05 1.43 2.47 -1.26 -1.53 114.94 115.18 3h1i s ASN 86 Ca 0.21 -0.86 -0.04 0.00 0.42 0.00 0.00 52.86 52.60 3h1i s ASN 86 Cb 0.06 -0.08 -0.02 0.00 -1.45 0.00 0.00 41.25 39.76 3h1i s ASN 86 CO 0.01 -0.16 0.05 -0.69 -3.72 0.00 0.00 177.10 172.59 3h1i s VAL 87 N -2.34 0.17 0.17 -5.21 1.01 -1.18 -5.02 120.40 108.01 3h1i s VAL 87 Ca 0.12 -1.39 0.09 0.00 0.00 0.00 0.00 61.98 60.79 3h1i s VAL 87 Cb -0.04 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 3h1i s VAL 87 CO 0.03 -0.77 -0.10 0.00 0.00 0.00 0.00 175.10 174.27 3h1i s ALA 88 N -3.27 2.93 -0.05 5.51 0.00 -1.26 -2.93 121.76 122.69 3h1i s ALA 88 Ca 0.01 -1.44 -0.03 0.00 0.00 0.00 0.00 51.96 50.49 3h1i s ALA 88 Cb 0.03 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.43 3h1i s ALA 88 CO -0.08 0.49 0.12 -0.06 0.00 0.00 0.00 175.76 176.23 3h1i s PHE 89 N -1.62 -0.13 0.26 0.00 0.40 -0.87 -4.93 117.98 111.09 3h1i s PHE 89 Ca 0.24 0.37 -0.30 0.00 -0.60 0.00 0.00 56.93 56.64 3h1i s PHE 89 Cb -0.09 -0.04 -0.11 0.00 0.51 0.00 0.00 43.02 43.30 3h1i s PHE 89 CO 0.15 -0.11 1.53 0.21 0.70 0.00 0.00 175.22 177.70 3h1i s LYS 90 N 0.64 4.19 -0.28 0.44 2.47 -1.26 -2.87 119.74 123.06 3h1i s LYS 90 Ca -0.05 2.45 -0.25 0.00 -1.56 0.00 0.00 55.97 56.56 3h1i s LYS 90 Cb -0.07 -3.07 0.13 0.00 -1.46 0.00 0.00 37.83 33.37 3h1i s LYS 90 CO -0.03 -0.55 1.09 -0.46 0.16 0.00 0.00 175.35 175.56 3h1i s TRP 91 N 0.11 -0.41 -0.46 4.03 -0.00 -1.26 -4.96 118.94 115.99 3h1i s TRP 91 Ca 0.62 0.99 -0.02 0.00 -0.00 0.00 0.00 56.10 57.70 3h1i s TRP 91 Cb -0.45 0.38 0.02 0.00 -0.00 0.00 0.00 33.47 33.42 3h1i s TRP 91 CO 0.44 -0.21 0.04 0.54 -0.00 0.00 0.00 176.95 177.77 3h1i n ARG 92 N 2.04 -0.97 0.00 5.86 1.74 -1.26 -2.72 116.66 121.35 3h1i n ARG 92 Ca -0.12 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 3h1i n ARG 92 Cb 0.56 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.92 3h1i n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h1i n GLY 93 N -1.26 1.79 3.89 -0.13 0.00 -1.26 -4.98 105.19 103.25 3h1i n GLY 93 Ca -0.06 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 3h1i n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1i s LYS 94 N 0.00 3.66 0.35 1.61 -0.14 -1.10 -5.03 119.74 119.08 3h1i s LYS 94 Ca 0.00 0.26 -0.00 0.00 -1.36 0.00 0.00 55.97 54.87 3h1i s LYS 94 Cb 0.00 -2.44 0.00 0.00 -1.68 0.00 0.00 37.83 33.71 3h1i s LYS 94 CO 0.00 -0.04 0.01 -2.30 -0.76 0.00 0.00 175.35 172.26 3h1i n PRO 95 N -1.56 1.93 -3.62 -1.68 -0.02 -1.26 -4.01 135.00 124.78 3h1i n PRO 95 Ca 0.01 -0.01 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 3h1i n PRO 95 Cb 0.54 -0.68 -0.05 0.00 -0.02 0.00 0.00 33.50 33.29 3h1i n PRO 95 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3h1i s LEU 96 N 0.00 -0.94 -0.15 2.45 2.96 -1.14 -3.81 118.68 118.06 3h1i s LEU 96 Ca 0.01 1.38 -0.06 0.00 -0.22 0.00 0.00 54.13 55.23 3h1i s LEU 96 Cb -0.00 2.20 -0.04 0.00 0.50 0.00 0.00 46.19 48.85 3h1i s LEU 96 CO 0.00 -0.20 0.06 -0.36 -1.32 0.00 0.00 176.35 174.53 3h1i s PHE 97 N 2.23 3.28 -0.25 5.38 0.08 -0.10 -2.06 117.98 126.54 3h1i s PHE 97 Ca -0.07 0.17 -0.01 0.00 0.12 0.00 0.00 56.93 57.13 3h1i s PHE 97 Cb -0.08 -1.98 0.08 0.00 -0.57 0.00 0.00 43.02 40.47 3h1i s PHE 97 CO -0.19 0.32 0.04 0.08 -0.10 0.00 0.00 175.22 175.38 3h1i s VAL 98 N -0.17 0.84 -0.07 -0.44 1.01 -1.15 -1.98 120.40 118.44 3h1i s VAL 98 Ca 0.07 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.09 3h1i s VAL 98 Cb -0.12 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 3h1i s VAL 98 CO 0.01 -0.37 -0.21 -0.60 0.00 0.00 0.00 175.10 173.93 3h1i s ARG 99 N 1.68 2.69 -0.36 2.72 3.52 0.13 -3.09 118.95 126.24 3h1i s ARG 99 Ca 0.02 -0.82 -0.21 0.00 -0.13 0.00 0.00 55.73 54.59 3h1i s ARG 99 Cb -0.17 -2.29 0.01 0.00 -1.56 0.00 0.00 34.95 30.93 3h1i s ARG 99 CO -0.14 0.41 0.66 -1.58 -0.81 0.00 0.00 175.30 173.83 3h1i s HIS 100 N -0.20 3.14 0.07 5.12 5.65 -0.58 -1.82 115.29 126.67 3h1i s HIS 100 Ca -0.02 0.35 -0.01 0.00 0.25 0.00 0.00 55.06 55.64 3h1i s HIS 100 Cb -0.13 -3.20 -0.04 0.00 -1.18 0.00 0.00 32.58 28.02 3h1i s HIS 100 CO 0.03 -0.66 0.24 1.03 -0.65 0.00 0.00 174.74 174.73 3h1i s ARG 101 N 2.78 3.47 0.18 2.88 0.52 0.26 -1.80 118.95 127.25 3h1i s ARG 101 Ca 0.25 -0.36 0.03 0.00 -0.52 0.00 0.00 55.73 55.13 3h1i s ARG 101 Cb -0.14 -3.01 -0.03 0.00 0.52 0.00 0.00 34.95 32.28 3h1i s ARG 101 CO 0.15 0.59 0.31 0.95 0.02 0.00 0.00 175.30 177.33 3h1i s THR 102 N -1.52 5.30 0.44 0.02 -4.23 -1.26 -4.65 115.64 109.74 3h1i s THR 102 Ca 0.35 -0.71 0.16 0.00 -1.18 0.00 0.00 61.69 60.31 3h1i s THR 102 Cb -0.13 -3.77 0.19 0.00 1.34 0.00 0.00 72.50 70.13 3h1i s THR 102 CO 0.26 -0.16 1.99 -0.61 -0.54 0.00 0.00 174.62 175.57 3h1i h GLN 103 N 1.91 0.00 0.00 3.99 4.15 -1.97 -1.06 115.11 122.14 3h1i h GLN 103 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.93 3h1i h GLN 103 Cb 1.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.89 3h1i h GLN 103 CO 0.67 0.19 0.30 0.00 -1.93 0.00 0.00 178.83 178.06 3h1i h ALA 104 N 1.81 1.26 0.00 3.38 0.00 -2.01 0.11 119.26 123.81 3h1i h ALA 104 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.61 3h1i h ALA 104 Cb 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3h1i h ALA 104 CO 0.02 -0.26 -1.93 0.39 0.00 0.00 0.00 179.25 177.48 3h1i n GLU 105 N -2.49 0.48 0.20 0.00 1.02 -0.50 -4.46 120.64 114.89 3h1i n GLU 105 Ca -0.01 0.21 0.14 0.00 -0.02 0.00 0.00 57.16 57.47 3h1i n GLU 105 Cb 0.33 -1.31 0.52 0.00 -0.02 0.00 0.00 31.44 30.96 3h1i n GLU 105 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3h1i h ILE 106 N -0.83 0.07 0.08 -3.67 2.04 -0.22 -0.29 117.51 114.69 3h1i h ILE 106 Ca -0.44 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 3h1i h ILE 106 Cb 1.34 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3h1i h ILE 106 CO -0.27 0.00 -0.04 0.78 0.00 0.00 0.00 178.15 178.62 3h1i h ASN 107 N 0.00 -0.10 -0.48 1.72 2.35 -1.07 -3.33 115.58 114.68 3h1i h ASN 107 Ca 0.12 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.96 3h1i h ASN 107 Cb 1.49 0.02 -0.10 0.00 0.05 0.00 0.00 38.32 39.78 3h1i h ASN 107 CO -0.00 -0.03 -0.39 1.56 -1.65 0.00 0.00 177.43 176.92 3h1i h GLN 108 N -0.19 -0.25 0.00 0.81 4.20 -1.29 0.79 115.11 119.18 3h1i h GLN 108 Ca -0.01 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3h1i h GLN 108 Cb 0.09 0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3h1i h GLN 108 CO 0.02 -0.16 0.00 0.39 -0.67 0.00 0.00 178.83 178.40 3h1i n GLU 109 N -5.42 0.00 0.00 1.46 -0.58 -0.92 -0.93 120.64 114.25 3h1i n GLU 109 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 3h1i n GLU 109 Cb 0.35 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 3h1i n GLU 109 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h1i n ALA 110 N -0.64 1.79 -0.04 0.62 0.00 0.13 -4.07 120.51 118.31 3h1i n ALA 110 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3h1i n ALA 110 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.67 3h1i n ALA 110 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h1i n GLU 111 N -1.72 0.81 -4.28 0.00 1.02 -0.11 -4.88 120.64 111.48 3h1i n GLU 111 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 3h1i n GLU 111 Cb 0.29 -1.10 -0.12 0.00 -0.02 0.00 0.00 31.44 30.49 3h1i n GLU 111 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h1i s VAL 112 N 0.33 1.65 -0.87 2.62 1.01 -1.25 -4.99 120.40 118.90 3h1i s VAL 112 Ca 0.00 -1.64 -0.23 0.00 0.00 0.00 0.00 61.98 60.11 3h1i s VAL 112 Cb 0.00 -1.59 -0.19 0.00 0.00 0.00 0.00 36.38 34.61 3h1i s VAL 112 CO 0.00 -0.18 2.14 0.47 0.00 0.00 0.00 175.10 177.54 3h1i n ASP 113 N 0.84 1.01 -0.39 3.32 8.00 -1.26 -4.68 116.55 123.38 3h1i n ASP 113 Ca -0.18 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.48 3h1i n ASP 113 Cb 0.55 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.13 3h1i n ASP 113 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3h1i n VAL 114 N 8.32 0.00 -0.09 2.53 0.31 -1.26 -1.83 118.33 126.30 3h1i n VAL 114 Ca 0.42 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.64 3h1i n VAL 114 Cb 0.43 -0.21 -0.12 0.00 -0.91 0.00 0.00 33.84 33.03 3h1i n VAL 114 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3h1i n SER 115 N 0.14 1.43 -0.85 4.52 3.41 -1.26 -4.44 113.62 116.58 3h1i n SER 115 Ca 0.00 -0.05 0.08 0.00 -0.26 0.00 0.00 58.87 58.64 3h1i n SER 115 Cb 0.07 0.40 0.23 0.00 -0.26 0.00 0.00 64.21 64.65 3h1i n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h1i n LYS 116 N -2.84 2.07 -2.91 4.33 5.02 -0.76 -4.94 118.16 118.13 3h1i n LYS 116 Ca -0.32 -1.66 -0.38 0.00 -2.02 0.00 0.00 58.31 53.93 3h1i n LYS 116 Cb 0.99 -1.38 -0.06 0.00 -0.02 0.00 0.00 35.03 34.56 3h1i n LYS 116 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h1i s LEU 117 N -1.10 4.44 0.06 -0.35 1.43 -1.25 -4.99 118.68 116.93 3h1i s LEU 117 Ca 0.32 1.69 -0.26 0.00 -1.03 0.00 0.00 54.13 54.85 3h1i s LEU 117 Cb 0.17 -3.68 -0.12 0.00 0.03 0.00 0.00 46.19 42.58 3h1i s LEU 117 CO 0.23 0.05 1.40 -0.09 0.23 0.00 0.00 176.35 178.17 3h1i h ARG 118 N 3.62 -0.69 -4.61 1.70 2.43 -1.92 -3.32 114.38 111.58 3h1i h ARG 118 Ca -0.47 0.05 -0.68 0.00 -0.81 0.00 0.00 59.98 58.07 3h1i h ARG 118 Cb 1.20 0.16 -0.36 0.00 -0.42 0.00 0.00 29.97 30.55 3h1i h ARG 118 CO 0.66 -0.46 -0.63 0.34 -1.51 0.00 0.00 179.97 178.36 3h1i s ASP 119 N -3.79 5.02 0.55 -3.80 2.15 -1.26 -5.09 116.67 110.45 3h1i s ASP 119 Ca -0.13 -1.87 -0.17 0.00 0.43 0.00 0.00 52.55 50.82 3h1i s ASP 119 Cb 0.03 -1.74 -0.06 0.00 -0.30 0.00 0.00 42.92 40.85 3h1i s ASP 119 CO 0.43 -0.43 1.03 -2.16 -0.17 0.00 0.00 175.17 173.87 3h1i s PRO 120 N 1.11 3.60 0.00 4.34 0.04 -1.25 -4.84 135.00 138.00 3h1i s PRO 120 Ca 0.05 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.23 3h1i s PRO 120 Cb -0.21 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.25 3h1i s PRO 120 CO -0.04 -0.57 0.00 0.94 0.04 0.00 0.00 177.00 177.36 3h1i n GLN 121 N -1.74 0.00 -3.22 4.56 7.27 -1.26 -5.13 117.38 117.87 3h1i n GLN 121 Ca 0.08 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.77 3h1i n GLN 121 Cb 0.53 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.12 3h1i n GLN 121 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 3h1i s HIS 122 N -0.10 3.78 0.43 3.69 5.65 -1.26 -4.92 115.29 122.56 3h1i s HIS 122 Ca 0.00 1.31 0.35 0.00 0.25 0.00 0.00 55.06 56.97 3h1i s HIS 122 Cb 0.00 -2.54 1.42 0.00 -1.18 0.00 0.00 32.58 30.28 3h1i s HIS 122 CO 0.00 0.53 1.39 -3.47 -0.65 0.00 0.00 174.74 172.54 3h1i n ASP 123 N 1.45 0.12 0.23 9.88 -0.08 -1.26 0.21 116.55 127.10 3h1i n ASP 123 Ca -0.08 1.11 0.13 0.00 -1.51 0.00 0.00 54.79 54.44 3h1i n ASP 123 Cb 0.51 -0.55 0.34 0.00 2.34 0.00 0.00 41.12 43.75 3h1i n ASP 123 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3h1i h LEU 124 N 0.00 0.00 -2.88 -2.67 3.38 -1.89 -2.91 115.31 108.34 3h1i h LEU 124 Ca 0.81 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.78 3h1i h LEU 124 Cb 2.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.60 3h1i h LEU 124 CO -0.27 0.03 0.00 -0.90 0.09 0.00 0.00 178.44 177.39 3h1i n ASP 125 N -3.11 3.42 -0.11 -0.43 5.68 0.13 -4.29 116.55 117.84 3h1i n ASP 125 Ca 0.03 -2.09 -0.15 0.00 -0.50 0.00 0.00 54.79 52.08 3h1i n ASP 125 Cb 0.46 -0.35 -0.10 0.00 -1.14 0.00 0.00 41.12 39.99 3h1i n ASP 125 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3h1i n ARG 126 N 0.85 0.57 -4.17 0.11 1.74 -1.12 -4.95 116.66 109.68 3h1i n ARG 126 Ca 0.17 0.13 -0.18 0.00 -0.77 0.00 0.00 57.85 57.20 3h1i n ARG 126 Cb 0.54 -1.44 -0.12 0.00 -1.02 0.00 0.00 32.46 30.42 3h1i n ARG 126 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3h1i s VAL 127 N -2.44 1.07 0.00 1.55 -7.23 -1.10 -4.92 120.40 107.33 3h1i s VAL 127 Ca -0.30 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 3h1i s VAL 127 Cb 0.08 -1.06 0.00 0.00 0.56 0.00 0.00 36.38 35.95 3h1i s VAL 127 CO 0.52 -0.26 0.00 0.29 -0.31 0.00 0.00 175.10 175.34 3h1i n LYS 128 N 1.24 0.00 -2.54 4.82 5.02 -1.26 -4.63 118.16 120.80 3h1i n LYS 128 Ca -0.21 0.29 -0.41 0.00 -2.02 0.00 0.00 58.31 55.96 3h1i n LYS 128 Cb 0.54 -0.77 -0.03 0.00 -0.02 0.00 0.00 35.03 34.75 3h1i n LYS 128 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3h1i s LYS 129 N -0.65 3.23 0.00 1.97 1.02 -1.26 -4.86 119.74 119.19 3h1i s LYS 129 Ca 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 55.97 55.85 3h1i s LYS 129 Cb 0.00 -4.16 0.00 0.00 -0.52 0.00 0.00 37.83 33.15 3h1i s LYS 129 CO 0.00 -2.08 0.62 -2.30 -0.92 0.00 0.00 175.35 170.67 3h1i n PRO 130 N 9.22 0.00 0.00 -1.68 -0.02 -1.26 0.30 135.00 141.56 3h1i n PRO 130 Ca 0.04 0.15 0.11 0.00 -2.02 0.00 0.00 63.50 61.79 3h1i n PRO 130 Cb 0.49 -1.80 0.06 0.00 -0.02 0.00 0.00 33.50 32.23 3h1i n PRO 130 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3h1i n GLU 131 N -1.12 0.43 -3.89 -0.52 0.00 -1.26 -4.74 120.64 109.53 3h1i n GLU 131 Ca 0.00 -0.32 -0.27 0.00 0.00 0.00 0.00 57.16 56.57 3h1i n GLU 131 Cb 0.30 -1.49 -0.17 0.00 0.00 0.00 0.00 31.44 30.08 3h1i n GLU 131 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 3h1i s TRP 132 N -2.80 1.43 -0.05 -1.84 0.52 0.88 0.92 118.94 118.01 3h1i s TRP 132 Ca 0.14 -0.74 0.05 0.00 0.02 0.00 0.00 56.10 55.56 3h1i s TRP 132 Cb 0.17 -1.20 -0.02 0.00 -1.15 0.00 0.00 33.47 31.27 3h1i s TRP 132 CO 0.71 -0.51 -0.19 0.54 0.02 0.00 0.00 176.95 177.51 3h1i s VAL 133 N 1.73 2.61 0.00 4.03 0.11 -0.76 -4.44 120.40 123.69 3h1i s VAL 133 Ca 0.04 -0.88 0.01 0.00 -2.93 0.00 0.00 61.98 58.22 3h1i s VAL 133 Cb -0.13 -1.99 -0.01 0.00 -1.53 0.00 0.00 36.38 32.72 3h1i s VAL 133 CO -0.08 0.58 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.60 3h1i s ILE 134 N -0.49 0.28 0.09 7.04 1.01 -1.26 -0.69 121.20 127.18 3h1i s ILE 134 Ca 0.06 -0.27 -0.26 0.00 0.00 0.00 0.00 60.65 60.18 3h1i s ILE 134 Cb -0.12 -0.26 0.08 0.00 0.01 0.00 0.00 42.46 42.17 3h1i s ILE 134 CO 0.01 -0.00 0.80 -1.48 0.00 0.00 0.00 174.94 174.27 3h1i s LEU 135 N -0.29 -0.39 -0.59 2.97 0.05 -0.84 -4.45 118.68 115.14 3h1i s LEU 135 Ca -0.01 -0.10 -0.28 0.00 0.05 0.00 0.00 54.13 53.79 3h1i s LEU 135 Cb -0.03 2.27 0.02 0.00 -2.05 0.00 0.00 46.19 46.41 3h1i s LEU 135 CO -0.00 -0.82 1.30 -0.69 -0.55 0.00 0.00 176.35 175.58 3h1i s VAL 136 N -3.40 3.89 0.00 1.48 1.01 0.76 -0.93 120.40 123.21 3h1i s VAL 136 Ca 0.05 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.79 3h1i s VAL 136 Cb -0.01 -4.62 0.00 0.00 0.00 0.00 0.00 36.38 31.74 3h1i s VAL 136 CO -0.07 -1.32 0.61 0.61 0.00 0.00 0.00 175.10 174.93 3h1i n GLY 137 N 5.18 1.10 2.87 4.51 0.00 -1.25 -4.36 105.19 113.24 3h1i n GLY 137 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 3h1i n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1i s VAL 138 N 3.37 0.56 0.63 1.61 1.01 -1.26 -4.04 120.40 122.27 3h1i s VAL 138 Ca 0.00 -0.10 -0.18 0.00 0.00 0.00 0.00 61.98 61.70 3h1i s VAL 138 Cb 0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 3h1i s VAL 138 CO 0.00 0.25 1.24 0.00 0.00 0.00 0.00 175.10 176.58 3h1i h THR 140 N 0.62 1.41 0.00 0.00 1.35 -1.89 -3.30 112.91 111.10 3h1i h THR 140 Ca -0.50 -2.78 0.00 0.00 -0.55 0.00 0.00 66.41 62.58 3h1i h THR 140 Cb 1.31 2.82 0.00 0.00 -1.73 0.00 0.00 68.15 70.55 3h1i h THR 140 CO 0.54 0.82 0.00 1.57 -0.25 0.00 0.00 175.52 178.20 3h1i n HIS 141 N -3.65 0.00 -0.69 4.73 -0.00 -1.26 -4.43 115.22 109.92 3h1i n HIS 141 Ca -0.10 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.68 3h1i n HIS 141 Cb 1.00 0.00 0.11 0.00 -0.00 0.00 0.00 29.99 31.09 3h1i n HIS 141 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3h1i n LEU 142 N 0.00 2.41 0.00 0.27 4.77 -1.26 -4.94 117.00 118.25 3h1i n LEU 142 Ca 0.00 -2.69 0.00 0.00 -0.03 0.00 0.00 56.01 53.29 3h1i n LEU 142 Cb 0.00 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3h1i n LEU 142 CO 0.00 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3h1i n GLY 143 N -0.97 1.01 3.92 -0.72 0.00 -1.24 -5.06 105.19 102.13 3h1i n GLY 143 Ca 0.11 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 3h1i n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1i s VAL 145 N -1.99 3.86 0.20 0.00 1.01 -1.26 0.05 120.40 122.27 3h1i s VAL 145 Ca 0.41 0.81 -0.33 0.00 0.00 0.00 0.00 61.98 62.87 3h1i s VAL 145 Cb -0.11 -4.36 -0.14 0.00 0.00 0.00 0.00 36.38 31.78 3h1i s VAL 145 CO 0.30 -0.99 1.51 -2.65 0.00 0.00 0.00 175.10 173.26 3h1i n PRO 146 N 8.37 2.13 -2.86 2.72 -0.02 -1.26 -4.76 135.00 139.33 3h1i n PRO 146 Ca 0.14 0.76 -0.41 0.00 -2.02 0.00 0.00 63.50 61.97 3h1i n PRO 146 Cb 0.49 -2.49 -0.04 0.00 -0.02 0.00 0.00 33.50 31.44 3h1i n PRO 146 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h1i s ILE 147 N 0.46 4.91 0.19 4.25 1.01 0.16 -4.77 121.20 127.40 3h1i s ILE 147 Ca 0.74 1.75 -0.27 0.00 0.00 0.00 0.00 60.65 62.87 3h1i s ILE 147 Cb -0.66 -4.18 -0.08 0.00 0.01 0.00 0.00 42.46 37.55 3h1i s ILE 147 CO 0.43 0.11 0.83 0.00 0.00 0.00 0.00 174.94 176.31 3h1i s ALA 148 N 1.51 3.42 -0.21 9.38 0.00 -1.26 -0.80 121.76 133.78 3h1i s ALA 148 Ca 0.43 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.82 3h1i s ALA 148 Cb -0.18 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 3h1i s ALA 148 CO 0.18 0.27 0.18 0.09 0.00 0.00 0.00 175.76 176.48 3h1i n ASN 149 N 1.55 -2.59 -3.64 0.00 3.02 -1.03 -4.99 115.26 107.59 3h1i n ASN 149 Ca -0.05 -0.13 -0.01 0.00 -0.03 0.00 0.00 54.58 54.36 3h1i n ASN 149 Cb 0.48 -1.40 -0.00 0.00 -0.61 0.00 0.00 39.78 38.25 3h1i n ASN 149 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3h1i s SER 150 N -3.14 -0.09 0.00 6.41 1.04 -1.26 -5.06 113.70 111.60 3h1i s SER 150 Ca 0.06 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.13 3h1i s SER 150 Cb -0.01 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.47 3h1i s SER 150 CO 0.14 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.29 3h1i n GLY 151 N -0.55 -0.07 1.67 7.32 0.00 -1.26 -3.86 105.19 108.44 3h1i n GLY 151 Ca -0.06 -1.74 -0.11 0.00 0.00 0.00 0.00 46.02 44.12 3h1i n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h1i n ASP 152 N -1.03 3.53 -0.93 1.61 8.00 -1.26 -3.79 116.55 122.67 3h1i n ASP 152 Ca 0.00 -2.90 0.02 0.00 0.71 0.00 0.00 54.79 52.62 3h1i n ASP 152 Cb 0.00 -0.69 0.01 0.00 -0.02 0.00 0.00 41.12 40.42 3h1i n ASP 152 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3h1i n PHE 153 N -0.34 0.00 -2.04 1.24 3.01 -1.26 -5.02 117.46 113.04 3h1i n PHE 153 Ca 0.33 -0.24 0.00 0.00 1.01 0.00 0.00 57.45 58.55 3h1i n PHE 153 Cb 1.14 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 40.52 3h1i n PHE 153 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3h1i n GLY 154 N 0.20 -0.37 0.00 1.37 0.00 -1.25 -3.88 105.19 101.26 3h1i n GLY 154 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3h1i n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1i n GLY 155 N -0.37 0.31 1.26 -0.02 0.00 -1.14 -4.27 105.19 100.96 3h1i n GLY 155 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 3h1i n GLY 155 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h1i n TYR 156 N -0.69 -0.38 -3.25 1.61 4.02 0.21 -2.45 117.16 116.23 3h1i n TYR 156 Ca 0.00 -1.07 0.04 0.00 -0.01 0.00 0.00 57.90 56.85 3h1i n TYR 156 Cb 0.00 0.13 -0.02 0.00 -0.02 0.00 0.00 39.34 39.42 3h1i n TYR 156 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 3h1i s TYR 157 N -2.75 -0.86 -0.46 -0.72 5.04 0.02 -2.49 117.35 115.12 3h1i s TYR 157 Ca 0.15 1.10 -0.24 0.00 -2.44 0.00 0.00 57.07 55.63 3h1i s TYR 157 Cb 0.01 0.37 0.03 0.00 0.35 0.00 0.00 41.96 42.71 3h1i s TYR 157 CO 0.11 -0.46 0.85 0.00 -1.34 0.00 0.00 175.55 174.71 3h1i n PRO 159 N 6.96 0.04 -0.14 0.00 -0.04 -1.26 -2.65 135.00 137.90 3h1i n PRO 159 Ca 0.04 0.33 -0.11 0.00 -0.04 0.00 0.00 63.50 63.71 3h1i n PRO 159 Cb 0.48 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 3h1i n PRO 159 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1i n HIS 161 N -4.28 0.02 -3.43 0.00 8.25 -1.23 -5.05 115.22 109.50 3h1i n HIS 161 Ca -0.01 -0.63 -0.17 0.00 -0.26 0.00 0.00 57.72 56.64 3h1i n HIS 161 Cb 0.39 0.09 0.09 0.00 1.12 0.00 0.00 29.99 31.68 3h1i n HIS 161 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h1i n GLY 162 N 0.22 -0.37 3.79 -1.41 0.00 -1.08 -4.36 105.19 101.98 3h1i n GLY 162 Ca -0.05 0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 3h1i n GLY 162 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h1i s SER 163 N -4.26 6.80 -0.13 1.61 0.01 -1.17 -4.07 113.70 112.50 3h1i s SER 163 Ca 0.05 0.95 -0.02 0.00 1.31 0.00 0.00 55.95 58.24 3h1i s SER 163 Cb -0.02 -2.28 -0.03 0.00 0.21 0.00 0.00 66.02 63.90 3h1i s SER 163 CO 0.72 0.20 -0.04 -1.00 0.41 0.00 0.00 173.24 173.53 3h1i s HIS 164 N -0.44 3.02 0.08 2.43 0.09 0.53 -1.73 115.29 119.27 3h1i s HIS 164 Ca 0.25 -0.16 0.08 0.00 -0.00 0.00 0.00 55.06 55.23 3h1i s HIS 164 Cb -0.17 -1.88 -0.03 0.00 -0.00 0.00 0.00 32.58 30.51 3h1i s HIS 164 CO 0.13 0.11 -0.22 0.71 -0.00 0.00 0.00 174.74 175.47 3h1i s TYR 165 N -0.07 1.92 0.50 1.40 1.51 -1.04 -1.09 117.35 120.48 3h1i s TYR 165 Ca 0.02 -0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 55.66 3h1i s TYR 165 Cb -0.13 -1.09 -0.00 0.00 -0.11 0.00 0.00 41.96 40.63 3h1i s TYR 165 CO 0.03 0.18 0.76 0.16 -1.11 0.00 0.00 175.55 175.56 3h1i s ASP 166 N -1.63 5.79 0.00 2.29 1.47 -0.19 0.67 116.67 125.06 3h1i s ASP 166 Ca 0.08 0.48 0.00 0.00 1.18 0.00 0.00 52.55 54.30 3h1i s ASP 166 Cb -0.10 -1.65 0.00 0.00 -0.34 0.00 0.00 42.92 40.83 3h1i s ASP 166 CO 0.03 -0.81 0.74 0.00 0.68 0.00 0.00 175.17 175.81 3h1i n ALA 167 N -2.26 0.74 0.88 2.11 0.00 -1.25 0.32 120.51 121.05 3h1i n ALA 167 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.57 3h1i n ALA 167 Cb 0.57 -0.67 0.03 0.00 0.00 0.00 0.00 19.45 19.39 3h1i n ALA 167 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h1i n SER 168 N -1.24 0.72 0.00 0.00 2.88 -1.26 -4.91 113.62 109.82 3h1i n SER 168 Ca 0.00 -0.55 0.00 0.00 -1.33 0.00 0.00 58.87 56.99 3h1i n SER 168 Cb 0.13 0.73 0.00 0.00 -0.75 0.00 0.00 64.21 64.32 3h1i n SER 168 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h1i n GLY 169 N 1.47 0.66 3.90 0.46 0.00 0.96 -4.95 105.19 107.70 3h1i n GLY 169 Ca 0.04 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 3h1i n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h1i s ARG 170 N -1.84 3.64 -0.23 1.61 0.52 -1.22 -0.90 118.95 120.53 3h1i s ARG 170 Ca 0.00 -0.01 -0.23 0.00 -0.52 0.00 0.00 55.73 54.97 3h1i s ARG 170 Cb 0.00 -2.69 -0.01 0.00 0.52 0.00 0.00 34.95 32.77 3h1i s ARG 170 CO 0.00 0.27 0.76 -1.50 0.02 0.00 0.00 175.30 174.85 3h1i s ILE 171 N -1.99 4.90 -0.14 1.52 1.10 -1.26 -1.02 121.20 124.30 3h1i s ILE 171 Ca 0.43 1.44 -0.07 0.00 -0.51 0.00 0.00 60.65 61.94 3h1i s ILE 171 Cb -0.11 -4.06 -0.06 0.00 0.15 0.00 0.00 42.46 38.38 3h1i s ILE 171 CO 0.28 -0.02 -0.19 0.54 -2.11 0.00 0.00 174.94 173.45 3h1i n ARG 172 N 5.74 0.31 -4.22 3.50 5.12 -0.25 -4.54 116.66 122.31 3h1i n ARG 172 Ca 0.03 0.13 -0.17 0.00 -1.93 0.00 0.00 57.85 55.91 3h1i n ARG 172 Cb 0.48 -1.02 -0.13 0.00 -1.16 0.00 0.00 32.46 30.64 3h1i n ARG 172 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3h1i s LYS 173 N -2.28 0.74 0.00 5.56 2.20 -1.21 -4.96 119.74 119.80 3h1i s LYS 173 Ca -0.20 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 54.69 3h1i s LYS 173 Cb 0.08 -0.69 0.00 0.00 -1.51 0.00 0.00 37.83 35.71 3h1i s LYS 173 CO 0.25 0.16 0.00 0.41 -0.36 0.00 0.00 175.35 175.82 3h1i n GLY 174 N 1.81 1.57 0.10 5.54 0.00 -1.26 0.20 105.19 113.16 3h1i n GLY 174 Ca -0.19 -2.23 0.14 0.00 0.00 0.00 0.00 46.02 43.74 3h1i n GLY 174 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h1i n PRO 175 N -0.83 0.73 -1.86 1.61 -0.04 -1.26 -4.92 135.00 128.43 3h1i n PRO 175 Ca 0.00 -0.21 -0.41 0.00 -0.04 0.00 0.00 63.50 62.84 3h1i n PRO 175 Cb 0.00 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 3h1i n PRO 175 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1i s ALA 176 N -2.41 3.63 0.03 0.55 0.00 -1.26 -4.84 121.76 117.47 3h1i s ALA 176 Ca 0.31 1.50 -0.17 0.00 0.00 0.00 0.00 51.96 53.60 3h1i s ALA 176 Cb 0.20 -3.60 -0.24 0.00 0.00 0.00 0.00 23.12 19.49 3h1i s ALA 176 CO 0.45 -0.93 1.13 -1.00 0.00 0.00 0.00 175.76 175.41 3h1i h PRO 177 N 3.99 0.54 0.00 0.00 0.13 -1.91 -3.47 132.00 131.28 3h1i h PRO 177 Ca -0.49 -0.59 -0.62 0.00 -0.87 0.00 0.00 66.00 63.43 3h1i h PRO 177 Cb 1.23 0.17 -0.12 0.00 0.13 0.00 0.00 31.00 32.41 3h1i h PRO 177 CO 0.72 1.21 -0.46 0.66 -0.23 0.00 0.00 178.00 179.90 3h1i n TYR 178 N -4.05 1.02 -3.71 1.56 4.01 -1.26 -4.70 117.16 110.03 3h1i n TYR 178 Ca -0.11 -2.41 -0.35 0.00 -0.16 0.00 0.00 57.90 54.87 3h1i n TYR 178 Cb 0.77 -0.29 -0.06 0.00 -0.31 0.00 0.00 39.34 39.46 3h1i n TYR 178 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3h1i s ASN 179 N -3.64 6.55 0.34 7.72 0.01 -1.26 -4.31 114.94 120.35 3h1i s ASN 179 Ca 0.02 0.65 -0.12 0.00 -0.71 0.00 0.00 52.86 52.70 3h1i s ASN 179 Cb 0.00 -2.13 -0.10 0.00 0.41 0.00 0.00 41.25 39.44 3h1i s ASN 179 CO 0.01 0.27 -0.10 0.18 -1.51 0.00 0.00 177.10 175.96 3h1i n LEU 180 N 1.32 -2.44 -4.71 0.60 4.77 -0.08 -4.82 117.00 111.64 3h1i n LEU 180 Ca -0.12 0.42 -0.42 0.00 -0.03 0.00 0.00 56.01 55.85 3h1i n LEU 180 Cb 0.53 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 3h1i n LEU 180 CO 0.39 -3.15 0.88 -0.70 -1.33 0.00 0.00 177.39 173.48 3h1i s GLU 181 N -0.68 4.43 -0.31 3.23 2.12 -1.26 -4.90 118.70 121.33 3h1i s GLU 181 Ca 0.37 1.75 -0.12 0.00 0.36 0.00 0.00 54.97 57.32 3h1i s GLU 181 Cb -0.32 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 30.67 3h1i s GLU 181 CO 0.43 -0.26 0.23 0.08 -0.54 0.00 0.00 175.26 175.20 3h1i s VAL 182 N 1.14 5.29 0.96 3.70 1.01 -1.26 -0.17 120.40 131.07 3h1i s VAL 182 Ca 0.58 -0.02 -0.13 0.00 0.00 0.00 0.00 61.98 62.42 3h1i s VAL 182 Cb -0.29 -3.64 0.17 0.00 0.00 0.00 0.00 36.38 32.62 3h1i s VAL 182 CO 0.29 0.10 1.12 -2.16 0.00 0.00 0.00 175.10 174.45 3h1i s PRO 183 N 1.76 0.73 -0.42 2.72 0.04 -1.26 -4.98 135.00 133.58 3h1i s PRO 183 Ca 0.07 0.35 -0.16 0.00 0.04 0.00 0.00 61.00 61.30 3h1i s PRO 183 Cb -0.17 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.61 3h1i s PRO 183 CO 0.11 -2.49 0.37 0.99 0.04 0.00 0.00 177.00 176.02 3h1i s THR 184 N -3.15 5.18 0.00 1.26 2.01 -1.26 -5.00 115.64 114.68 3h1i s THR 184 Ca 0.65 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 62.10 3h1i s THR 184 Cb -0.16 -4.00 0.00 0.00 0.01 0.00 0.00 72.50 68.35 3h1i s THR 184 CO 0.55 -0.39 0.00 0.00 -0.69 0.00 0.00 174.62 174.10 3h1i n TYR 185 N 5.37 0.00 -3.56 4.92 0.18 -1.26 -0.24 117.16 122.57 3h1i n TYR 185 Ca -0.09 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.61 3h1i n TYR 185 Cb 0.47 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.40 3h1i n TYR 185 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 3h1i s GLN 186 N -0.15 0.57 -0.73 -3.48 0.74 0.88 -4.91 119.66 112.57 3h1i s GLN 186 Ca 0.00 -0.11 0.02 0.00 0.05 0.00 0.00 55.36 55.33 3h1i s GLN 186 Cb 0.00 0.26 0.34 0.00 1.10 0.00 0.00 33.01 34.72 3h1i s GLN 186 CO 0.00 -0.23 1.35 1.19 -0.55 0.00 0.00 175.29 177.05 3h1i n PHE 187 N 0.11 3.47 -0.78 1.67 3.72 -1.26 -0.19 117.46 124.20 3h1i n PHE 187 Ca -0.06 -3.28 -0.32 0.00 -0.05 0.00 0.00 57.45 53.75 3h1i n PHE 187 Cb 0.60 -0.73 -0.05 0.00 -0.94 0.00 0.00 39.48 38.36 3h1i n PHE 187 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3h1i n VAL 188 N -0.24 1.48 -3.46 -4.37 0.24 -1.24 -4.69 118.33 106.05 3h1i n VAL 188 Ca 0.39 -1.10 0.00 0.00 -2.04 0.00 0.00 64.34 61.59 3h1i n VAL 188 Cb 0.37 -2.11 0.00 0.00 -1.47 0.00 0.00 33.84 30.63 3h1i n VAL 188 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h1i n GLY 189 N 4.30 -1.00 0.15 7.63 0.00 -1.21 -4.82 105.19 110.25 3h1i n GLY 189 Ca 0.41 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 3h1i n GLY 189 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h1i n ASP 190 N 0.84 2.40 -2.42 1.61 8.00 -1.26 -4.68 116.55 121.04 3h1i n ASP 190 Ca 0.00 -0.03 -0.02 0.00 0.71 0.00 0.00 54.79 55.45 3h1i n ASP 190 Cb 0.00 -0.32 0.05 0.00 -0.02 0.00 0.00 41.12 40.82 3h1i n ASP 190 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3h1i n ASP 191 N -3.16 1.85 -3.59 -2.24 5.75 -1.26 -5.04 116.55 108.86 3h1i n ASP 191 Ca -0.32 -2.27 -0.18 0.00 -0.01 0.00 0.00 54.79 52.01 3h1i n ASP 191 Cb 0.81 -0.43 -0.14 0.00 -1.03 0.00 0.00 41.12 40.33 3h1i n ASP 191 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3h1i s LEU 192 N -3.04 -0.07 -0.07 -2.12 2.96 -1.26 -1.58 118.68 113.49 3h1i s LEU 192 Ca 0.31 0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.28 3h1i s LEU 192 Cb 0.35 0.31 -0.02 0.00 0.50 0.00 0.00 46.19 47.32 3h1i s LEU 192 CO -0.06 -0.29 -0.12 0.54 -1.32 0.00 0.00 176.35 175.11 3h1i s VAL 193 N 2.30 3.27 -0.12 1.68 0.11 -0.84 -3.28 120.40 123.51 3h1i s VAL 193 Ca 0.04 -0.63 -0.03 0.00 -2.93 0.00 0.00 61.98 58.44 3h1i s VAL 193 Cb -0.14 -2.32 -0.03 0.00 -1.53 0.00 0.00 36.38 32.36 3h1i s VAL 193 CO -0.09 0.58 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.54 3h1i s VAL 194 N -0.49 4.01 -0.08 2.04 1.01 0.73 -1.51 120.40 126.11 3h1i s VAL 194 Ca 0.07 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.76 3h1i s VAL 194 Cb -0.12 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 3h1i s VAL 194 CO 0.02 0.54 -0.23 -0.69 0.00 0.00 0.00 175.10 174.74 3h1i s VAL 195 N -0.18 2.23 0.00 2.92 1.01 -1.08 -0.09 120.40 125.22 3h1i s VAL 195 Ca 0.04 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.03 3h1i s VAL 195 Cb -0.13 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.41 3h1i s VAL 195 CO 0.02 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.30