#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 0.05 0.07 6.34 1.44 -1.26 -3.39 115.22 118.47 3h1i n HIS 2 Ca 0.00 -0.03 0.00 0.00 -2.01 0.00 0.00 57.72 55.68 3h1i n HIS 2 Cb 0.00 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.06 3h1i n HIS 2 CO 0.00 0.00 0.00 -0.91 -2.81 0.00 0.00 176.34 172.62 3h1i h ASN 3 N 1.88 0.00 -0.14 4.39 2.35 -2.12 -3.29 115.58 118.65 3h1i h ASN 3 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h1i h ASN 3 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 3h1i h ASN 3 CO 0.00 0.59 0.00 0.47 -1.65 0.00 0.00 177.43 176.84 3h1i n ASP 4 N -3.03 2.16 -4.38 5.81 10.43 -1.22 -4.83 116.55 121.49 3h1i n ASP 4 Ca -0.06 -2.23 -0.33 0.00 2.57 0.00 0.00 54.79 54.75 3h1i n ASP 4 Cb 0.82 -0.54 -0.14 0.00 1.84 0.00 0.00 41.12 43.09 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 -1.44 2.91 0.03 2.53 1.01 -1.24 -5.03 120.40 119.17 3h1i s VAL 5 Ca 0.13 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.40 3h1i s VAL 5 Cb 0.10 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 3h1i s VAL 5 CO 0.04 0.55 -0.07 0.42 0.00 0.00 0.00 175.10 176.04 3h1i s THR 6 N 0.05 0.47 -0.24 3.92 -4.23 -1.26 -5.08 115.64 109.26 3h1i s THR 6 Ca -0.06 -0.84 -0.29 0.00 -1.18 0.00 0.00 61.69 59.32 3h1i s THR 6 Cb -0.15 -0.51 -0.00 0.00 1.34 0.00 0.00 72.50 73.18 3h1i s THR 6 CO 0.05 -0.26 1.24 -0.69 -0.54 0.00 0.00 174.62 174.42 3h1i s VAL 7 N -1.06 4.27 1.24 2.29 1.01 -1.26 -5.00 120.40 121.90 3h1i s VAL 7 Ca -0.07 1.49 -0.18 0.00 0.00 0.00 0.00 61.98 63.21 3h1i s VAL 7 Cb -0.08 -4.13 0.27 0.00 0.00 0.00 0.00 36.38 32.44 3h1i s VAL 7 CO 0.00 -0.32 0.61 -2.65 0.00 0.00 0.00 175.10 172.74 3h1i n PRO 8 N 6.92 -3.34 -2.57 2.72 -0.02 -1.26 -4.89 135.00 132.57 3h1i n PRO 8 Ca 0.14 -0.98 -0.43 0.00 -2.02 0.00 0.00 63.50 60.21 3h1i n PRO 8 Cb 0.46 -1.77 -0.02 0.00 -0.02 0.00 0.00 33.50 32.14 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 -2.47 6.65 -0.25 2.55 2.15 -1.26 -4.87 116.67 119.17 3h1i s ASP 9 Ca 0.55 0.65 0.14 0.00 0.43 0.00 0.00 52.55 54.32 3h1i s ASP 9 Cb -0.12 -2.55 0.77 0.00 -0.30 0.00 0.00 42.92 40.73 3h1i s ASP 9 CO 0.51 -1.20 1.72 0.49 -0.17 0.00 0.00 175.17 176.52 3h1i n PHE 10 N 7.78 2.00 -0.17 -5.34 0.99 -1.26 -4.47 117.46 117.00 3h1i n PHE 10 Ca 0.13 -0.84 -0.07 0.00 -0.00 0.00 0.00 57.45 56.67 3h1i n PHE 10 Cb 0.48 -0.52 0.02 0.00 -1.00 0.00 0.00 39.48 38.46 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 3.46 0.60 -1.70 4.37 0.02 -1.95 -0.50 113.55 117.84 3h1i h SER 11 Ca 0.05 -0.02 0.51 0.00 -0.84 0.00 0.00 61.79 61.49 3h1i h SER 11 Cb 1.98 -0.15 -0.09 0.00 0.14 0.00 0.00 62.40 64.28 3h1i h SER 11 CO 0.50 0.44 1.19 0.00 -1.14 0.00 0.00 176.83 177.82 3h1i h ALA 12 N 1.19 3.46 0.00 3.77 0.00 -2.02 -1.85 119.26 123.81 3h1i h ALA 12 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3h1i h ALA 12 Cb -0.08 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3h1i h ALA 12 CO -0.04 -2.03 -1.11 0.66 0.00 0.00 0.00 179.25 176.73 3h1i n TYR 13 N -4.19 0.00 -1.63 0.00 4.01 -0.83 -5.06 117.16 109.45 3h1i n TYR 13 Ca 0.41 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.74 3h1i n TYR 13 Cb 1.77 -0.12 0.02 0.00 -0.31 0.00 0.00 39.34 40.71 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 1.38 -2.04 -0.72 1.74 -0.26 -4.95 116.66 110.19 3h1i n ARG 14 Ca -0.01 0.50 -0.34 0.00 -0.77 0.00 0.00 57.85 57.23 3h1i n ARG 14 Cb 0.15 -2.14 0.02 0.00 -1.02 0.00 0.00 32.46 29.47 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 -2.20 3.14 0.24 5.56 0.52 -1.26 -4.92 118.95 120.03 3h1i s ARG 15 Ca 0.65 1.47 -0.07 0.00 -0.52 0.00 0.00 55.73 57.26 3h1i s ARG 15 Cb -0.52 -1.99 0.43 0.00 0.52 0.00 0.00 34.95 33.40 3h1i s ARG 15 CO 0.55 -0.99 1.65 1.49 0.02 0.00 0.00 175.30 178.02 3h1i h GLU 16 N 0.66 0.14 0.00 3.54 4.81 -1.98 -2.37 114.58 119.38 3h1i h GLU 16 Ca -0.48 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3h1i h GLU 16 Cb 1.25 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3h1i h GLU 16 CO 0.56 0.09 0.00 -0.25 -0.73 0.00 0.00 179.01 178.68 3h1i n ASP 17 N -5.29 0.00 -2.62 1.04 8.00 -1.26 -3.21 116.55 113.21 3h1i n ASP 17 Ca 0.13 -0.16 -0.08 0.00 0.71 0.00 0.00 54.79 55.39 3h1i n ASP 17 Cb 0.46 -0.17 0.04 0.00 -0.02 0.00 0.00 41.12 41.44 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 -1.17 1.56 -0.02 2.53 0.24 -0.89 -4.81 118.33 115.78 3h1i n VAL 18 Ca 0.09 -3.33 0.06 0.00 -2.04 0.00 0.00 64.34 59.12 3h1i n VAL 18 Cb 0.09 0.55 -0.15 0.00 -1.47 0.00 0.00 33.84 32.86 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 -0.54 0.66 -3.04 7.34 0.00 -1.20 -4.80 117.12 115.54 3h1i n MET 19 Ca 0.17 -0.11 -0.42 0.00 0.00 0.00 0.00 57.70 57.35 3h1i n MET 19 Cb 0.83 -1.56 -0.06 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 -4.88 6.55 0.00 6.12 2.15 -1.26 -4.91 116.67 120.44 3h1i s ASP 20 Ca -0.08 0.47 0.00 0.00 0.43 0.00 0.00 52.55 53.38 3h1i s ASP 20 Cb 0.12 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 3h1i s ASP 20 CO 0.88 -0.56 0.22 0.00 -0.17 0.00 0.00 175.17 175.54 3h1i n ALA 21 N 6.06 1.65 -1.52 3.66 0.00 -1.26 -2.59 120.51 126.50 3h1i n ALA 21 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.50 3h1i n ALA 21 Cb 0.48 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.26 0.88 -4.15 0.00 -2.24 -1.26 -5.04 114.28 102.22 3h1i n THR 22 Ca 0.00 -1.05 -0.20 0.00 -2.27 0.00 0.00 64.05 60.52 3h1i n THR 22 Cb 0.02 0.17 -0.16 0.00 -2.10 0.00 0.00 70.33 68.25 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 -1.33 0.56 -0.35 4.28 2.01 -1.07 -5.09 115.64 114.65 3h1i s THR 23 Ca 0.15 -0.12 -0.34 0.00 0.31 0.00 0.00 61.69 61.68 3h1i s THR 23 Cb 0.13 -0.59 -0.11 0.00 0.01 0.00 0.00 72.50 71.94 3h1i s THR 23 CO 0.01 0.24 2.21 -0.24 -0.69 0.00 0.00 174.62 176.15 3h1i n SER 24 N 4.13 2.23 -0.28 3.53 2.88 -1.26 -4.82 113.62 120.03 3h1i n SER 24 Ca -0.23 0.35 0.07 0.00 -1.33 0.00 0.00 58.87 57.72 3h1i n SER 24 Cb 0.51 -1.30 0.29 0.00 -0.75 0.00 0.00 64.21 62.95 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 12.98 0.81 -1.05 -3.46 4.64 -1.94 -3.05 113.55 122.49 3h1i h SER 25 Ca -0.28 0.02 0.39 0.00 -0.47 0.00 0.00 61.79 61.45 3h1i h SER 25 Cb 1.31 -0.15 -0.14 0.00 -0.31 0.00 0.00 62.40 63.11 3h1i h SER 25 CO 1.02 0.49 0.63 0.00 -0.87 0.00 0.00 176.83 178.10 3h1i n GLN 26 N -4.52 -0.04 -0.01 4.77 1.13 -1.26 -0.84 117.38 116.61 3h1i n GLN 26 Ca 0.15 1.15 -0.17 0.00 -1.94 0.00 0.00 57.00 56.19 3h1i n GLN 26 Cb 0.29 -2.17 -0.11 0.00 0.11 0.00 0.00 30.24 28.37 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 1.46 -0.28 5.09 1.35 -1.94 -3.20 112.91 115.39 3h1i h THR 27 Ca 0.76 -2.00 -0.14 0.00 -0.55 0.00 0.00 66.41 64.48 3h1i h THR 27 Cb 2.24 2.60 -0.08 0.00 -1.73 0.00 0.00 68.15 71.17 3h1i h THR 27 CO -0.54 0.57 0.18 -1.54 -0.25 0.00 0.00 175.52 173.94 3h1i n SER 28 N -4.32 3.16 -0.08 5.36 3.41 -0.02 -3.91 113.62 117.22 3h1i n SER 28 Ca -0.10 -2.45 -0.08 0.00 -0.26 0.00 0.00 58.87 55.98 3h1i n SER 28 Cb 0.61 -0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 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 0.04 1.86 -0.35 4.04 3.41 -0.95 -3.67 113.62 118.00 3h1i n SER 29 Ca 0.17 0.51 0.30 0.00 -0.26 0.00 0.00 58.87 59.59 3h1i n SER 29 Cb 0.82 -0.83 0.51 0.00 -0.26 0.00 0.00 64.21 64.44 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 -4.54 -0.03 0.01 4.33 -0.58 -1.25 0.24 120.64 118.82 3h1i n GLU 30 Ca -0.13 0.96 -0.09 0.00 -0.42 0.00 0.00 57.16 57.48 3h1i n GLU 30 Cb 0.40 -1.87 -0.07 0.00 -0.57 0.00 0.00 31.44 29.33 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 -0.11 -1.05 1.62 3.32 -1.81 -2.12 116.42 116.28 3h1i h ASP 31 Ca 0.67 -0.41 0.27 0.00 0.02 0.00 0.00 57.03 57.58 3h1i h ASP 31 Cb 2.12 0.03 -0.09 0.00 0.22 0.00 0.00 39.33 41.61 3h1i h ASP 31 CO -0.37 0.53 0.68 0.03 -1.72 0.00 0.00 179.24 178.39 3h1i h ARG 32 N -0.94 0.35 0.18 3.56 3.08 -0.28 -0.36 114.38 119.97 3h1i h ARG 32 Ca -0.01 -0.02 -0.32 0.00 0.07 0.00 0.00 59.98 59.70 3h1i h ARG 32 Cb 0.51 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.49 3h1i h ARG 32 CO 0.02 0.23 -1.55 0.87 -1.07 0.00 0.00 179.97 178.47 3h1i h LYS 33 N 0.36 0.38 -0.62 0.04 1.57 -1.52 -3.18 116.57 113.61 3h1i h LYS 33 Ca 0.60 -0.64 0.13 0.00 -1.87 0.00 0.00 60.65 58.86 3h1i h LYS 33 Cb 1.57 0.24 -0.11 0.00 0.08 0.00 0.00 32.23 34.01 3h1i h LYS 33 CO -0.28 1.31 -0.01 0.78 -0.57 0.00 0.00 179.45 180.67 3h1i h GLY 34 N 0.34 0.64 0.00 3.86 0.00 -0.47 0.65 103.07 108.09 3h1i h GLY 34 Ca -0.30 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3h1i h GLY 34 CO 0.16 -0.21 0.00 0.33 0.00 0.00 0.00 176.54 176.83 3h1i n PHE 35 N -5.30 0.00 -0.32 5.60 7.35 -0.28 0.06 117.46 124.57 3h1i n PHE 35 Ca 0.09 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.91 3h1i n PHE 35 Cb 0.35 -0.26 0.26 0.00 0.35 0.00 0.00 39.48 40.19 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 -1.28 -0.13 0.07 -2.13 7.64 -1.12 0.31 113.62 116.99 3h1i n SER 36 Ca 0.00 1.57 0.00 0.00 1.01 0.00 0.00 58.87 61.45 3h1i n SER 36 Cb 0.00 -0.56 0.31 0.00 -1.01 0.00 0.00 64.21 62.95 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 0.38 -0.01 1.43 0.99 0.36 -2.59 116.97 117.53 3h1i h TYR 37 Ca 0.55 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 61.23 3h1i h TYR 37 Cb 1.11 -0.10 -0.00 0.00 1.00 0.00 0.00 36.73 38.74 3h1i h TYR 37 CO -0.49 0.50 -0.01 1.25 -0.00 0.00 0.00 178.16 179.40 3h1i h LEU 38 N 0.33 -0.03 0.19 3.88 5.85 0.88 0.36 115.31 126.76 3h1i h LEU 38 Ca 0.06 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3h1i h LEU 38 Cb 0.46 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 3h1i h LEU 38 CO 0.03 -0.02 -0.51 0.58 -0.34 0.00 0.00 178.44 178.19 3h1i h VAL 39 N -0.02 0.03 -0.23 1.05 2.07 -1.06 0.25 116.25 118.34 3h1i h VAL 39 Ca 0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.59 3h1i h VAL 39 Cb 0.03 0.03 -0.07 0.00 -1.52 0.00 0.00 31.29 29.76 3h1i h VAL 39 CO -0.02 0.00 -0.28 0.74 0.02 0.00 0.00 177.57 178.03 3h1i h THR 40 N -0.78 0.32 -0.47 2.57 2.02 -1.27 0.32 112.91 115.63 3h1i h THR 40 Ca -0.01 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.27 3h1i h THR 40 Cb 0.77 0.32 -0.09 0.00 -1.74 0.00 0.00 68.15 67.41 3h1i h THR 40 CO -0.24 0.00 -0.17 0.00 0.37 0.00 0.00 175.52 175.48 3h1i h ALA 41 N 0.66 0.22 0.31 6.16 0.00 0.15 -0.86 119.26 125.90 3h1i h ALA 41 Ca 0.13 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3h1i h ALA 41 Cb 0.50 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3h1i h ALA 41 CO -0.40 -0.50 -0.31 1.15 0.00 0.00 0.00 179.25 179.18 3h1i h THR 42 N -0.06 0.34 -1.03 0.00 2.02 0.39 -1.72 112.91 112.84 3h1i h THR 42 Ca 0.23 0.00 0.36 0.00 0.77 0.00 0.00 66.41 67.77 3h1i h THR 42 Cb 0.41 0.34 -0.15 0.00 -1.74 0.00 0.00 68.15 67.01 3h1i h THR 42 CO -0.52 0.00 0.59 0.00 0.37 0.00 0.00 175.52 175.97 3h1i h ALA 43 N -0.11 2.10 0.26 6.16 0.00 0.49 0.55 119.26 128.71 3h1i h ALA 43 Ca -0.01 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3h1i h ALA 43 Cb 0.60 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3h1i h ALA 43 CO -0.07 -0.76 -0.13 0.00 0.00 0.00 0.00 179.25 178.30 3h1i h VAL 45 N -0.46 0.31 -0.05 0.00 2.07 0.49 0.49 116.25 119.11 3h1i h VAL 45 Ca -0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.49 3h1i h VAL 45 Cb 0.34 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3h1i h VAL 45 CO 0.06 0.00 -0.05 0.00 0.02 0.00 0.00 177.57 177.60 3h1i h ALA 46 N 0.70 -0.28 -0.87 1.67 0.00 -0.60 0.71 119.26 120.59 3h1i h ALA 46 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.13 3h1i h ALA 46 Cb 0.51 0.80 -0.11 0.00 0.00 0.00 0.00 17.79 19.00 3h1i h ALA 46 CO -0.43 -0.31 -0.53 1.15 0.00 0.00 0.00 179.25 179.13 3h1i h THR 47 N -0.03 0.00 -0.04 0.00 2.02 -0.43 -0.91 112.91 113.52 3h1i h THR 47 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 3h1i h THR 47 Cb 0.05 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.46 3h1i h THR 47 CO -0.06 0.00 -0.02 0.00 0.37 0.00 0.00 175.52 175.80 3h1i n ALA 48 N -3.22 -0.03 -0.22 6.16 0.00 0.17 -0.55 120.51 122.82 3h1i n ALA 48 Ca 0.02 0.03 -0.04 0.00 0.00 0.00 0.00 53.44 53.45 3h1i n ALA 48 Cb 0.24 0.40 0.02 0.00 0.00 0.00 0.00 19.45 20.11 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 -0.85 0.01 0.00 3.20 0.21 0.40 116.97 119.94 3h1i h TYR 49 Ca 0.01 0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.96 3h1i h TYR 49 Cb 0.02 0.47 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 3h1i h TYR 49 CO -0.80 -0.37 -0.23 0.00 -1.64 0.00 0.00 178.16 175.11 3h1i h ALA 50 N 1.14 -0.71 -0.19 1.82 0.00 0.15 -2.38 119.26 119.09 3h1i h ALA 50 Ca 0.26 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.18 3h1i h ALA 50 Cb 0.55 0.69 -0.07 0.00 0.00 0.00 0.00 17.79 18.96 3h1i h ALA 50 CO -0.71 -0.77 -0.41 0.00 0.00 0.00 0.00 179.25 177.36 3h1i h ALA 51 N -1.05 -0.53 -0.43 0.00 0.00 -0.14 -1.25 119.26 115.85 3h1i h ALA 51 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3h1i h ALA 51 Cb 0.32 0.79 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 3h1i h ALA 51 CO -0.15 -0.90 -0.26 -0.22 0.00 0.00 0.00 179.25 177.72 3h1i h LYS 52 N -0.45 -0.01 -0.58 0.00 3.11 -0.10 0.30 116.57 118.84 3h1i h LYS 52 Ca 0.09 0.00 0.12 0.00 -2.81 0.00 0.00 60.65 58.05 3h1i h LYS 52 Cb 0.61 0.00 -0.09 0.00 -1.00 0.00 0.00 32.23 31.75 3h1i h LYS 52 CO -0.43 -0.01 0.04 -0.91 -2.81 0.00 0.00 179.45 175.33 3h1i h ASN 53 N -0.01 -0.18 -0.68 4.20 2.35 -1.00 0.14 115.58 120.40 3h1i h ASN 53 Ca 0.07 0.13 0.08 0.00 -0.55 0.00 0.00 56.30 56.04 3h1i h ASN 53 Cb 0.19 0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.74 3h1i h ASN 53 CO -0.41 -0.07 0.45 0.58 -1.65 0.00 0.00 177.43 176.33 3h1i h VAL 54 N 0.15 0.95 0.23 2.81 2.07 0.43 0.09 116.25 122.99 3h1i h VAL 54 Ca 0.30 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 3h1i h VAL 54 Cb 0.48 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3h1i h VAL 54 CO -0.47 0.11 -0.11 0.58 0.02 0.00 0.00 177.57 177.70 3h1i h VAL 55 N 0.61 0.00 -0.48 2.57 2.07 0.14 -1.92 116.25 119.24 3h1i h VAL 55 Ca 0.31 -0.28 0.14 0.00 0.82 0.00 0.00 66.70 67.68 3h1i h VAL 55 Cb 0.41 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.09 3h1i h VAL 55 CO -0.10 0.00 0.03 0.41 0.02 0.00 0.00 177.57 177.93 3h1i n THR 56 N -3.61 -0.20 0.00 2.57 -1.04 0.30 -0.10 114.28 112.21 3h1i n THR 56 Ca -0.04 1.05 0.00 0.00 -2.04 0.00 0.00 64.05 63.02 3h1i n THR 56 Cb 0.12 -1.54 0.00 0.00 -1.82 0.00 0.00 70.33 67.09 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 -4.51 0.00 -0.40 -2.82 6.02 -0.01 -2.55 117.38 113.11 3h1i n GLN 57 Ca 0.12 0.18 0.39 0.00 -0.01 0.00 0.00 57.00 57.67 3h1i n GLN 57 Cb 0.39 -0.96 0.76 0.00 1.02 0.00 0.00 30.24 31.44 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 0.00 -0.08 1.08 0.05 -0.49 0.38 116.94 117.88 3h1i h PHE 58 Ca 0.00 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.78 3h1i h PHE 58 Cb 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 37.95 3h1i h PHE 58 CO 0.05 0.00 -0.01 0.82 -0.18 0.00 0.00 178.31 178.99 3h1i h ILE 59 N 0.00 1.26 0.00 -0.55 5.03 -0.58 -2.16 117.51 120.52 3h1i h ILE 59 Ca 0.64 -0.83 0.00 0.00 -0.12 0.00 0.00 64.86 64.55 3h1i h ILE 59 Cb 2.65 1.65 0.00 0.00 -3.03 0.00 0.00 36.82 38.10 3h1i h ILE 59 CO -0.01 0.23 0.00 -1.54 -0.68 0.00 0.00 178.15 176.16 3h1i n SER 60 N -4.82 0.00 0.26 1.72 3.41 0.12 -1.68 113.62 112.63 3h1i n SER 60 Ca -0.07 -0.11 0.09 0.00 -0.26 0.00 0.00 58.87 58.53 3h1i n SER 60 Cb 0.21 -0.22 0.68 0.00 -0.26 0.00 0.00 64.21 64.61 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 0.04 4.04 0.87 -0.57 -2.76 113.55 115.17 3h1i h SER 61 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3h1i h SER 61 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 3h1i h SER 61 CO 0.00 0.04 -0.02 -0.07 -0.53 0.00 0.00 176.83 176.25 3h1i h LEU 62 N 0.00 -0.05 -5.94 2.23 3.38 -1.44 -3.48 115.31 110.01 3h1i h LEU 62 Ca -0.00 -0.57 -0.33 0.00 0.09 0.00 0.00 57.88 57.06 3h1i h LEU 62 Cb 0.07 0.01 0.17 0.00 0.09 0.00 0.00 40.66 41.00 3h1i h LEU 62 CO 0.00 0.69 -1.67 -1.20 0.09 0.00 0.00 178.44 176.36 3h1i n SER 63 N -4.74 -2.50 -4.51 -0.43 7.64 -1.04 -4.71 113.62 103.32 3h1i n SER 63 Ca -0.07 0.03 -0.43 0.00 1.01 0.00 0.00 58.87 59.41 3h1i n SER 63 Cb 0.30 -0.37 -0.00 0.00 -1.01 0.00 0.00 64.21 63.13 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 -2.14 -1.02 -1.94 -0.43 0.00 -1.26 -4.96 120.51 108.76 3h1i n ALA 64 Ca -0.01 0.27 -0.21 0.00 0.00 0.00 0.00 53.44 53.49 3h1i n ALA 64 Cb 0.47 -1.87 0.19 0.00 0.00 0.00 0.00 19.45 18.23 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 1.21 0.19 0.11 0.00 3.41 -1.26 -5.01 113.62 112.26 3h1i n SER 65 Ca 0.11 -1.51 0.12 0.00 -0.26 0.00 0.00 58.87 57.33 3h1i n SER 65 Cb 0.36 -0.95 0.05 0.00 -0.26 0.00 0.00 64.21 63.41 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 -1.71 0.57 -0.19 7.33 0.00 -2.01 -3.30 119.26 119.95 3h1i h ALA 66 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3h1i h ALA 66 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3h1i h ALA 66 CO 0.30 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.15 3h1i n ASP 67 N -2.62 1.38 -4.66 0.00 5.75 -1.26 -4.80 116.55 110.35 3h1i n ASP 67 Ca 0.01 -2.06 -0.41 0.00 -0.01 0.00 0.00 54.79 52.32 3h1i n ASP 67 Cb 0.53 -0.23 -0.05 0.00 -1.03 0.00 0.00 41.12 40.33 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 -1.67 4.93 0.00 2.12 1.01 -1.25 -5.05 120.40 120.50 3h1i s VAL 68 Ca 0.14 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.55 3h1i s VAL 68 Cb 0.08 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.41 3h1i s VAL 68 CO 0.08 0.04 0.00 0.18 0.00 0.00 0.00 175.10 175.40 3h1i n LEU 69 N 5.32 0.00 -2.67 3.92 4.77 -1.26 -5.04 117.00 122.04 3h1i n LEU 69 Ca 0.02 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.96 3h1i n LEU 69 Cb 0.49 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.64 3h1i n LEU 69 CO 0.46 -1.14 0.56 0.00 -1.33 0.00 0.00 177.39 175.94 3h1i n ALA 70 N -3.00 -3.67 -1.52 -1.18 0.00 -1.26 -5.18 120.51 104.70 3h1i n ALA 70 Ca 0.00 -0.15 -0.15 0.00 0.00 0.00 0.00 53.44 53.13 3h1i n ALA 70 Cb 0.00 -3.27 0.16 0.00 0.00 0.00 0.00 19.45 16.33 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 1.93 0.00 0.00 0.00 4.77 -1.26 -5.13 117.00 117.31 3h1i n LEU 71 Ca 0.05 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.03 3h1i n LEU 71 Cb 0.69 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3h1i n LEU 71 CO -0.13 -1.34 0.00 -1.54 -1.33 0.00 0.00 177.39 173.06 3h1i n SER 72 N -3.79 0.00 0.00 -1.43 3.41 -1.26 -5.12 113.62 105.43 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 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 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 3.86 -3.63 4.33 5.02 -1.26 -4.87 118.16 121.61 3h1i n LYS 73 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 3h1i n LYS 73 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 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 1.38 -0.45 0.08 -0.18 2.07 -0.80 -5.01 121.20 118.29 3h1i s ILE 74 Ca 0.00 0.00 -0.22 0.00 -1.41 0.00 0.00 60.65 59.02 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 0.67 -1.61 -1.91 0.00 0.00 174.94 172.09 3h1i s GLU 75 N 2.20 4.38 -0.07 3.50 2.02 -1.26 -2.62 118.70 126.85 3h1i s GLU 75 Ca -0.08 0.92 -0.02 0.00 0.02 0.00 0.00 54.97 55.82 3h1i s GLU 75 Cb -0.08 -3.28 0.03 0.00 0.10 0.00 0.00 34.13 30.90 3h1i s GLU 75 CO -0.19 0.52 0.02 0.42 0.02 0.00 0.00 175.26 176.04 3h1i s ILE 76 N -0.79 0.27 -0.28 -1.63 1.01 -0.56 -5.03 121.20 114.19 3h1i s ILE 76 Ca 0.33 0.17 -0.29 0.00 0.00 0.00 0.00 60.65 60.86 3h1i s ILE 76 Cb -0.21 -0.47 -0.02 0.00 0.01 0.00 0.00 42.46 41.78 3h1i s ILE 76 CO 0.22 0.23 1.69 -0.75 0.00 0.00 0.00 174.94 176.33 3h1i s LYS 77 N 2.01 3.57 0.00 2.79 2.20 -1.26 -1.87 119.74 127.18 3h1i s LYS 77 Ca 0.05 1.51 0.03 0.00 -0.36 0.00 0.00 55.97 57.20 3h1i s LYS 77 Cb -0.12 -4.11 0.18 0.00 -1.51 0.00 0.00 37.83 32.27 3h1i s LYS 77 CO -0.05 -1.57 0.54 1.28 -0.36 0.00 0.00 175.35 175.19 3h1i n LEU 78 N 9.32 0.00 -0.07 5.43 4.77 0.16 -1.85 117.00 134.76 3h1i n LEU 78 Ca 0.21 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.08 3h1i n LEU 78 Cb 0.46 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.40 3h1i n LEU 78 CO 0.67 0.00 -0.90 -1.20 -1.33 0.00 0.00 177.39 174.63 3h1i n SER 79 N -0.81 0.56 0.22 -1.43 7.64 -1.26 -3.97 113.62 114.58 3h1i n SER 79 Ca 0.02 0.17 0.17 0.00 1.01 0.00 0.00 58.87 60.25 3h1i n SER 79 Cb 0.01 0.41 0.85 0.00 -1.01 0.00 0.00 64.21 64.47 3h1i n SER 79 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3h1i h ASP 80 N 0.00 0.00 -3.75 6.43 3.32 -1.74 -3.32 116.42 117.37 3h1i h ASP 80 Ca -0.44 0.00 -0.74 0.00 0.02 0.00 0.00 57.03 55.87 3h1i h ASP 80 Cb 2.13 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 41.38 3h1i h ASP 80 CO 0.05 0.00 -0.17 -0.63 -1.72 0.00 0.00 179.24 176.76 3h1i s ILE 81 N -4.57 4.70 1.29 0.35 1.01 -1.25 -5.08 121.20 117.64 3h1i s ILE 81 Ca -0.05 -2.40 -0.20 0.00 0.00 0.00 0.00 60.65 58.00 3h1i s ILE 81 Cb 0.15 -3.99 0.32 0.00 0.01 0.00 0.00 42.46 38.95 3h1i s ILE 81 CO 0.52 -0.92 1.02 -2.16 0.00 0.00 0.00 174.94 173.41 3h1i s PRO 82 N 0.46 -1.93 0.39 2.79 0.04 -1.25 -4.77 135.00 130.73 3h1i s PRO 82 Ca 0.14 0.11 -0.25 0.00 0.04 0.00 0.00 61.00 61.04 3h1i s PRO 82 Cb -0.18 -1.50 -0.09 0.00 0.04 0.00 0.00 34.50 32.77 3h1i s PRO 82 CO -0.05 -4.21 1.07 -2.00 0.04 0.00 0.00 177.00 171.85 3h1i s GLU 83 N -5.17 4.18 0.00 4.56 2.12 -1.26 -3.87 118.70 119.26 3h1i s GLU 83 Ca 0.70 1.58 0.00 0.00 0.36 0.00 0.00 54.97 57.60 3h1i s GLU 83 Cb -0.13 -2.61 0.00 0.00 0.26 0.00 0.00 34.13 31.65 3h1i s GLU 83 CO 0.58 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.57 3h1i n GLY 84 N 0.45 1.28 3.58 -1.50 0.00 0.41 -4.98 105.19 104.44 3h1i n GLY 84 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.36 1.90 0.12 1.61 2.20 -1.21 -4.97 119.74 119.03 3h1i s LYS 85 Ca 0.00 -2.00 0.06 0.00 -0.36 0.00 0.00 55.97 53.66 3h1i s LYS 85 Cb 0.00 -1.69 -0.04 0.00 -1.51 0.00 0.00 37.83 34.59 3h1i s LYS 85 CO 0.00 0.05 -0.13 1.21 -0.36 0.00 0.00 175.35 176.12 3h1i s ASN 86 N -3.66 1.96 0.05 1.43 2.47 -1.26 -1.60 114.94 114.32 3h1i s ASN 86 Ca 0.34 -0.83 -0.04 0.00 0.42 0.00 0.00 52.86 52.75 3h1i s ASN 86 Cb 0.06 -0.06 -0.02 0.00 -1.45 0.00 0.00 41.25 39.77 3h1i s ASN 86 CO 0.17 -0.17 0.05 -0.69 -3.72 0.00 0.00 177.10 172.75 3h1i s VAL 87 N -2.26 0.16 0.16 -5.21 1.01 -1.17 -5.01 120.40 108.08 3h1i s VAL 87 Ca 0.09 -1.36 0.09 0.00 0.00 0.00 0.00 61.98 60.81 3h1i s VAL 87 Cb -0.04 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 3h1i s VAL 87 CO 0.03 -0.75 -0.12 0.00 0.00 0.00 0.00 175.10 174.26 3h1i s ALA 88 N -3.20 2.88 -0.02 5.51 0.00 -1.26 -2.70 121.76 122.97 3h1i s ALA 88 Ca 0.00 -1.43 -0.02 0.00 0.00 0.00 0.00 51.96 50.51 3h1i s ALA 88 Cb 0.02 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.43 3h1i s ALA 88 CO -0.07 0.51 0.06 -0.06 0.00 0.00 0.00 175.76 176.20 3h1i s PHE 89 N -1.53 -0.02 -0.06 0.00 0.40 -0.71 -4.92 117.98 111.15 3h1i s PHE 89 Ca 0.23 0.05 -0.30 0.00 -0.60 0.00 0.00 56.93 56.31 3h1i s PHE 89 Cb -0.09 -0.01 -0.06 0.00 0.51 0.00 0.00 43.02 43.36 3h1i s PHE 89 CO 0.14 -0.08 1.81 0.21 0.70 0.00 0.00 175.22 178.00 3h1i s LYS 90 N -0.30 4.01 -0.26 0.44 2.47 -1.26 -2.71 119.74 122.14 3h1i s LYS 90 Ca -0.03 2.25 -0.25 0.00 -1.56 0.00 0.00 55.97 56.37 3h1i s LYS 90 Cb -0.02 -4.09 0.09 0.00 -1.46 0.00 0.00 37.83 32.34 3h1i s LYS 90 CO 0.00 -1.07 0.83 -0.46 0.16 0.00 0.00 175.35 174.81 3h1i s TRP 91 N 4.75 -0.67 -0.43 4.03 -0.00 -1.26 -4.99 118.94 120.39 3h1i s TRP 91 Ca 0.81 1.60 -0.01 0.00 -0.00 0.00 0.00 56.10 58.50 3h1i s TRP 91 Cb -0.35 0.31 0.01 0.00 -0.00 0.00 0.00 33.47 33.44 3h1i s TRP 91 CO 0.34 -0.34 0.02 0.54 -0.00 0.00 0.00 176.95 177.51 3h1i n ARG 92 N 2.39 -0.98 0.00 5.86 1.74 -1.26 -2.63 116.66 121.78 3h1i n ARG 92 Ca -0.14 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 3h1i n ARG 92 Cb 0.55 -0.99 0.00 0.00 -1.02 0.00 0.00 32.46 31.00 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 -1.34 2.00 3.88 -0.13 0.00 -1.26 -4.96 105.19 103.39 3h1i n GLY 93 Ca -0.08 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 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 3.74 0.37 1.61 -0.14 -1.08 -5.05 119.74 119.19 3h1i s LYS 94 Ca 0.00 0.35 0.00 0.00 -1.36 0.00 0.00 55.97 54.96 3h1i s LYS 94 Cb 0.00 -2.46 0.00 0.00 -1.68 0.00 0.00 37.83 33.69 3h1i s LYS 94 CO 0.00 0.03 0.00 -2.30 -0.76 0.00 0.00 175.35 172.32 3h1i n PRO 95 N -1.21 1.93 -3.63 -1.68 -0.02 -1.26 -4.09 135.00 125.04 3h1i n PRO 95 Ca 0.01 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.47 3h1i n PRO 95 Cb 0.54 -0.74 -0.05 0.00 -0.02 0.00 0.00 33.50 33.23 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 -1.06 -0.16 2.45 2.96 -1.10 -3.82 118.68 117.95 3h1i s LEU 96 Ca 0.00 1.51 -0.07 0.00 -0.22 0.00 0.00 54.13 55.34 3h1i s LEU 96 Cb 0.00 2.28 -0.04 0.00 0.50 0.00 0.00 46.19 48.93 3h1i s LEU 96 CO 0.00 -0.22 0.09 -0.36 -1.32 0.00 0.00 176.35 174.55 3h1i s PHE 97 N 2.56 3.37 -0.25 5.38 0.08 -0.35 -1.73 117.98 127.04 3h1i s PHE 97 Ca -0.07 0.27 -0.01 0.00 0.12 0.00 0.00 56.93 57.24 3h1i s PHE 97 Cb -0.10 -2.04 0.08 0.00 -0.57 0.00 0.00 43.02 40.39 3h1i s PHE 97 CO -0.19 0.37 0.04 0.08 -0.10 0.00 0.00 175.22 175.42 3h1i s VAL 98 N -0.11 0.88 -0.08 -0.44 1.01 -1.10 -2.20 120.40 118.36 3h1i s VAL 98 Ca 0.08 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 61.07 3h1i s VAL 98 Cb -0.12 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 3h1i s VAL 98 CO 0.01 -0.37 -0.20 -0.60 0.00 0.00 0.00 175.10 173.93 3h1i s ARG 99 N 1.66 2.84 -0.56 2.72 3.52 -0.02 -3.02 118.95 126.11 3h1i s ARG 99 Ca 0.02 -0.82 -0.22 0.00 -0.13 0.00 0.00 55.73 54.58 3h1i s ARG 99 Cb -0.18 -2.34 0.05 0.00 -1.56 0.00 0.00 34.95 30.93 3h1i s ARG 99 CO -0.14 0.34 0.86 -1.58 -0.81 0.00 0.00 175.30 173.96 3h1i s HIS 100 N -0.03 2.85 -0.13 5.12 5.65 -0.63 -1.81 115.29 126.31 3h1i s HIS 100 Ca -0.06 -0.25 -0.14 0.00 0.25 0.00 0.00 55.06 54.85 3h1i s HIS 100 Cb -0.15 -3.96 -0.05 0.00 -1.18 0.00 0.00 32.58 27.24 3h1i s HIS 100 CO 0.05 -1.31 0.33 1.03 -0.65 0.00 0.00 174.74 174.18 3h1i s ARG 101 N 3.59 4.17 0.70 2.88 0.52 0.21 -0.44 118.95 130.57 3h1i s ARG 101 Ca 0.25 0.18 -0.11 0.00 -0.52 0.00 0.00 55.73 55.52 3h1i s ARG 101 Cb -0.15 -3.38 0.01 0.00 0.52 0.00 0.00 34.95 31.95 3h1i s ARG 101 CO 0.16 0.33 1.08 0.95 0.02 0.00 0.00 175.30 177.84 3h1i s THR 102 N 0.17 3.55 -1.47 0.02 -4.23 -1.26 -4.46 115.64 107.96 3h1i s THR 102 Ca 0.19 0.47 0.27 0.00 -1.18 0.00 0.00 61.69 61.44 3h1i s THR 102 Cb -0.14 -3.49 0.49 0.00 1.34 0.00 0.00 72.50 70.69 3h1i s THR 102 CO 0.06 -0.64 1.91 1.67 -0.54 0.00 0.00 174.62 177.08 3h1i n GLN 103 N -2.97 0.41 0.00 3.99 7.27 -1.26 -0.16 117.38 124.65 3h1i n GLN 103 Ca 0.07 0.03 0.09 0.00 0.07 0.00 0.00 57.00 57.26 3h1i n GLN 103 Cb 0.57 -1.50 0.38 0.00 2.41 0.00 0.00 30.24 32.10 3h1i n GLN 103 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3h1i n ALA 104 N -1.27 1.82 -0.00 1.69 0.00 -1.26 -1.99 120.51 119.50 3h1i n ALA 104 Ca 0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.48 3h1i n ALA 104 Cb 0.20 -1.29 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 3h1i n ALA 104 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h1i n GLU 105 N -1.50 0.06 -0.65 0.00 1.02 -0.78 -4.69 120.64 114.10 3h1i n GLU 105 Ca 0.04 0.03 0.51 0.00 -0.02 0.00 0.00 57.16 57.71 3h1i n GLU 105 Cb 0.21 -0.60 0.81 0.00 -0.02 0.00 0.00 31.44 31.84 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 -0.10 0.05 0.15 -3.67 2.04 -0.50 0.15 117.51 115.62 3h1i h ILE 106 Ca -0.05 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3h1i h ILE 106 Cb 0.83 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3h1i h ILE 106 CO -0.03 0.00 -0.07 0.78 0.00 0.00 0.00 178.15 178.83 3h1i h ASN 107 N 0.00 -0.17 -0.85 1.72 2.35 -1.67 -3.35 115.58 113.62 3h1i h ASN 107 Ca 0.90 -0.31 0.22 0.00 -0.55 0.00 0.00 56.30 56.56 3h1i h ASN 107 Cb 3.55 0.04 -0.14 0.00 0.05 0.00 0.00 38.32 41.82 3h1i h ASN 107 CO -0.04 0.42 0.12 1.56 -1.65 0.00 0.00 177.43 177.83 3h1i h GLN 108 N -0.95 0.13 0.00 0.81 4.20 -0.98 -1.25 115.11 117.07 3h1i h GLN 108 Ca -0.02 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3h1i h GLN 108 Cb 0.46 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3h1i h GLN 108 CO 0.03 0.09 0.00 0.39 -0.67 0.00 0.00 178.83 178.67 3h1i n GLU 109 N -5.31 0.16 -0.01 1.46 -0.58 -1.11 -1.97 120.64 113.27 3h1i n GLU 109 Ca 0.19 0.18 0.01 0.00 -0.42 0.00 0.00 57.16 57.12 3h1i n GLU 109 Cb 0.62 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.94 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 -1.27 2.10 -0.96 0.62 0.00 -0.53 -3.82 120.51 116.64 3h1i n ALA 110 Ca 0.05 -0.23 -0.16 0.00 0.00 0.00 0.00 53.44 53.10 3h1i n ALA 110 Cb 0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.89 1.81 -4.26 0.00 1.02 -0.83 -4.90 120.64 111.59 3h1i n GLU 111 Ca -0.04 -1.44 -0.19 0.00 -0.02 0.00 0.00 57.16 55.47 3h1i n GLU 111 Cb 0.35 -1.65 -0.13 0.00 -0.02 0.00 0.00 31.44 29.99 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 -1.69 1.10 -0.75 2.62 1.01 -1.24 -4.96 120.40 116.50 3h1i s VAL 112 Ca 0.35 -1.14 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 3h1i s VAL 112 Cb 0.24 -1.03 -0.19 0.00 0.00 0.00 0.00 36.38 35.40 3h1i s VAL 112 CO -0.05 -0.10 1.98 0.47 0.00 0.00 0.00 175.10 177.40 3h1i n ASP 113 N 1.61 -0.09 0.00 3.32 8.00 -1.26 -4.67 116.55 123.46 3h1i n ASP 113 Ca -0.19 -1.39 0.02 0.00 0.71 0.00 0.00 54.79 53.94 3h1i n ASP 113 Cb 0.54 -1.11 0.12 0.00 -0.02 0.00 0.00 41.12 40.66 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 6.96 0.11 -0.03 2.53 0.31 -1.26 -0.11 118.33 126.84 3h1i n VAL 114 Ca 0.42 0.03 0.02 0.00 -0.01 0.00 0.00 64.34 64.80 3h1i n VAL 114 Cb 0.36 -0.96 -0.10 0.00 -0.91 0.00 0.00 33.84 32.23 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 -1.03 1.91 -2.09 4.52 3.41 -1.26 -4.48 113.62 114.59 3h1i n SER 115 Ca 0.03 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.46 3h1i n SER 115 Cb 0.02 1.30 0.20 0.00 -0.26 0.00 0.00 64.21 65.46 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 -2.16 2.51 -3.74 4.33 5.02 0.84 -4.93 118.16 120.03 3h1i n LYS 116 Ca -0.09 -2.81 -0.36 0.00 -2.02 0.00 0.00 58.31 53.02 3h1i n LYS 116 Cb 0.57 -2.11 -0.07 0.00 -0.02 0.00 0.00 35.03 33.40 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 -2.99 4.30 0.08 -0.35 1.43 -1.17 -4.98 118.68 115.00 3h1i s LEU 117 Ca 0.53 0.42 -0.35 0.00 -1.03 0.00 0.00 54.13 53.70 3h1i s LEU 117 Cb 0.44 -2.17 -0.18 0.00 0.03 0.00 0.00 46.19 44.32 3h1i s LEU 117 CO 0.11 0.27 1.54 -0.09 0.23 0.00 0.00 176.35 178.40 3h1i h ARG 118 N 5.88 -1.02 -4.39 1.70 2.43 -1.92 -3.28 114.38 113.78 3h1i h ARG 118 Ca -0.47 0.07 -0.73 0.00 -0.81 0.00 0.00 59.98 58.04 3h1i h ARG 118 Cb 1.19 0.23 -0.22 0.00 -0.42 0.00 0.00 29.97 30.75 3h1i h ARG 118 CO 0.68 -0.68 -0.19 0.34 -1.51 0.00 0.00 179.97 178.61 3h1i s ASP 119 N -4.19 6.18 -0.51 -3.80 2.15 -1.26 -5.02 116.67 110.21 3h1i s ASP 119 Ca -0.18 -1.41 -0.27 0.00 0.43 0.00 0.00 52.55 51.13 3h1i s ASP 119 Cb 0.04 -2.22 -0.04 0.00 -0.30 0.00 0.00 42.92 40.40 3h1i s ASP 119 CO 0.58 -0.80 2.06 -2.16 -0.17 0.00 0.00 175.17 174.68 3h1i s PRO 120 N 1.90 2.57 -0.01 4.34 0.04 -1.24 -4.90 135.00 137.70 3h1i s PRO 120 Ca 0.06 1.08 -0.25 0.00 0.04 0.00 0.00 61.00 61.93 3h1i s PRO 120 Cb -0.25 -4.43 0.05 0.00 0.04 0.00 0.00 34.50 29.91 3h1i s PRO 120 CO 0.06 -2.77 0.55 -0.65 0.04 0.00 0.00 177.00 174.24 3h1i s GLN 121 N 7.24 0.97 -0.13 4.56 -0.21 -1.26 -5.11 119.66 125.71 3h1i s GLN 121 Ca 0.81 0.02 -0.11 0.00 0.02 0.00 0.00 55.36 56.10 3h1i s GLN 121 Cb -0.17 0.45 -0.05 0.00 1.00 0.00 0.00 33.01 34.24 3h1i s GLN 121 CO 0.25 -0.31 0.24 -1.58 -2.12 0.00 0.00 175.29 171.77 3h1i s HIS 122 N -1.59 3.54 0.30 0.91 2.46 -1.26 -4.88 115.29 114.76 3h1i s HIS 122 Ca -0.10 0.60 0.06 0.00 0.47 0.00 0.00 55.06 56.09 3h1i s HIS 122 Cb -0.01 -2.19 0.31 0.00 -0.13 0.00 0.00 32.58 30.56 3h1i s HIS 122 CO 0.05 0.46 1.02 0.22 -2.47 0.00 0.00 174.74 174.02 3h1i h ASP 123 N 5.84 0.00 0.01 9.88 3.58 -1.93 0.04 116.42 133.85 3h1i h ASP 123 Ca -0.47 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 56.96 3h1i h ASP 123 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 3h1i h ASP 123 CO 0.68 0.00 -0.10 -0.07 -2.88 0.00 0.00 179.24 176.87 3h1i h LEU 124 N 0.00 0.07 -0.60 2.28 3.38 -1.88 -3.31 115.31 115.26 3h1i h LEU 124 Ca 0.00 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.07 3h1i h LEU 124 Cb 1.24 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3h1i h LEU 124 CO 0.00 0.96 0.00 -0.90 0.09 0.00 0.00 178.44 178.59 3h1i n ASP 125 N -4.59 0.67 -0.08 -0.43 5.68 0.00 -3.34 116.55 114.47 3h1i n ASP 125 Ca -0.10 -2.02 -0.12 0.00 -0.50 0.00 0.00 54.79 52.05 3h1i n ASP 125 Cb 0.48 -0.25 -0.07 0.00 -1.14 0.00 0.00 41.12 40.14 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 -0.20 0.37 -4.40 0.11 1.74 -1.24 -4.99 116.66 108.06 3h1i n ARG 126 Ca 0.01 0.10 -0.21 0.00 -0.77 0.00 0.00 57.85 56.98 3h1i n ARG 126 Cb 0.15 -1.27 -0.10 0.00 -1.02 0.00 0.00 32.46 30.22 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 -2.30 1.92 0.00 1.55 -7.23 -1.21 -4.95 120.40 108.17 3h1i s VAL 127 Ca -0.21 -2.24 0.00 0.00 -1.81 0.00 0.00 61.98 57.72 3h1i s VAL 127 Cb 0.06 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.78 3h1i s VAL 127 CO 0.34 -0.47 0.00 0.29 -0.31 0.00 0.00 175.10 174.95 3h1i n LYS 128 N -0.50 0.00 -2.32 4.82 5.02 -1.26 -4.69 118.16 119.23 3h1i n LYS 128 Ca -0.07 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.79 3h1i n LYS 128 Cb 0.61 -0.39 -0.02 0.00 -0.02 0.00 0.00 35.03 35.20 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 -0.88 3.65 0.56 1.97 1.02 -1.26 -4.88 119.74 119.92 3h1i s LYS 129 Ca 0.00 1.10 0.11 0.00 0.02 0.00 0.00 55.97 57.20 3h1i s LYS 129 Cb 0.00 -4.00 0.62 0.00 -0.52 0.00 0.00 37.83 33.93 3h1i s LYS 129 CO 0.00 -1.46 1.29 -1.35 -0.92 0.00 0.00 175.35 172.91 3h1i h PRO 130 N 10.52 0.00 -0.02 -1.68 0.11 -1.97 0.25 132.00 139.23 3h1i h PRO 130 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3h1i h PRO 130 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3h1i h PRO 130 CO 1.06 0.00 -0.36 -0.85 -0.21 0.00 0.00 178.00 177.64 3h1i n GLU 131 N -2.43 1.48 -3.96 1.05 0.28 -1.26 -4.81 120.64 110.99 3h1i n GLU 131 Ca -0.01 -1.11 -0.29 0.00 -0.16 0.00 0.00 57.16 55.60 3h1i n GLU 131 Cb 0.66 -1.42 -0.17 0.00 1.43 0.00 0.00 31.44 31.94 3h1i n GLU 131 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 3h1i s TRP 132 N -2.23 1.90 -0.05 -1.84 0.52 0.08 0.67 118.94 117.98 3h1i s TRP 132 Ca 0.19 -1.09 0.05 0.00 0.02 0.00 0.00 56.10 55.27 3h1i s TRP 132 Cb 0.17 -1.43 -0.02 0.00 -1.15 0.00 0.00 33.47 31.04 3h1i s TRP 132 CO 0.48 -0.62 -0.20 0.54 0.02 0.00 0.00 176.95 177.17 3h1i s VAL 133 N 1.57 2.51 0.00 4.03 0.11 -0.75 -4.53 120.40 123.35 3h1i s VAL 133 Ca 0.03 -0.92 0.01 0.00 -2.93 0.00 0.00 61.98 58.17 3h1i s VAL 133 Cb -0.14 -1.94 -0.01 0.00 -1.53 0.00 0.00 36.38 32.77 3h1i s VAL 133 CO -0.09 0.58 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.59 3h1i s ILE 134 N -0.51 0.25 0.05 7.04 1.01 -1.26 -0.83 121.20 126.94 3h1i s ILE 134 Ca 0.07 -0.29 -0.27 0.00 0.00 0.00 0.00 60.65 60.15 3h1i s ILE 134 Cb -0.11 -0.24 0.09 0.00 0.01 0.00 0.00 42.46 42.21 3h1i s ILE 134 CO 0.01 -0.03 0.81 -1.48 0.00 0.00 0.00 174.94 174.24 3h1i s LEU 135 N -0.35 -0.42 -0.64 2.97 0.05 -0.94 -4.43 118.68 114.92 3h1i s LEU 135 Ca -0.02 -0.01 -0.27 0.00 0.05 0.00 0.00 54.13 53.88 3h1i s LEU 135 Cb -0.03 2.19 0.02 0.00 -2.05 0.00 0.00 46.19 46.32 3h1i s LEU 135 CO -0.00 -0.73 1.37 -0.69 -0.55 0.00 0.00 176.35 175.75 3h1i s VAL 136 N -3.31 3.76 0.00 1.48 1.01 0.11 -1.21 120.40 122.24 3h1i s VAL 136 Ca 0.04 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.59 3h1i s VAL 136 Cb -0.01 -4.63 0.00 0.00 0.00 0.00 0.00 36.38 31.74 3h1i s VAL 136 CO -0.10 -1.44 0.61 0.61 0.00 0.00 0.00 175.10 174.78 3h1i n GLY 137 N 5.31 1.05 2.84 4.51 0.00 -1.25 -4.23 105.19 113.42 3h1i n GLY 137 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 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 3.34 0.94 0.22 1.61 1.01 -1.26 -4.31 120.40 121.95 3h1i s VAL 138 Ca 0.00 -0.64 -0.32 0.00 0.00 0.00 0.00 61.98 61.02 3h1i s VAL 138 Cb 0.00 -1.23 -0.14 0.00 0.00 0.00 0.00 36.38 35.01 3h1i s VAL 138 CO 0.00 0.00 1.42 0.00 0.00 0.00 0.00 175.10 176.52 3h1i h THR 140 N 3.11 1.25 0.00 0.00 1.35 -1.89 -3.08 112.91 113.65 3h1i h THR 140 Ca -0.45 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 3h1i h THR 140 Cb 1.28 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 3h1i h THR 140 CO 0.77 0.32 0.00 1.57 -0.25 0.00 0.00 175.52 177.93 3h1i n HIS 141 N -4.38 0.00 -3.18 4.73 -0.00 -1.26 -4.30 115.22 106.82 3h1i n HIS 141 Ca 0.04 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.53 3h1i n HIS 141 Cb 0.21 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.15 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 1.57 -3.82 0.27 4.77 -1.26 -5.01 117.00 113.51 3h1i n LEU 142 Ca 0.00 -5.07 -0.28 0.00 -0.03 0.00 0.00 56.01 50.63 3h1i n LEU 142 Cb 0.00 0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 41.35 3h1i n LEU 142 CO 0.00 2.20 -0.10 0.61 -1.33 0.00 0.00 177.39 178.76 3h1i n GLY 143 N 0.65 -0.43 3.93 -0.72 0.00 -1.16 -4.99 105.19 102.45 3h1i n GLY 143 Ca 0.25 0.05 -0.27 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.94 4.07 0.27 0.00 1.01 -1.26 -0.69 120.40 121.86 3h1i s VAL 145 Ca 0.39 0.43 -0.28 0.00 0.00 0.00 0.00 61.98 62.52 3h1i s VAL 145 Cb -0.11 -4.73 -0.14 0.00 0.00 0.00 0.00 36.38 31.40 3h1i s VAL 145 CO 0.30 -1.44 0.98 -2.65 0.00 0.00 0.00 175.10 172.29 3h1i n PRO 146 N 8.34 1.22 -2.89 2.72 -0.02 -1.26 -4.79 135.00 138.33 3h1i n PRO 146 Ca 0.04 0.43 -0.41 0.00 -2.02 0.00 0.00 63.50 61.53 3h1i n PRO 146 Cb 0.48 -1.78 -0.04 0.00 -0.02 0.00 0.00 33.50 32.14 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 -0.97 4.91 -0.00 4.25 1.01 0.11 -4.83 121.20 125.67 3h1i s ILE 147 Ca 0.60 1.67 -0.30 0.00 0.00 0.00 0.00 60.65 62.62 3h1i s ILE 147 Cb -0.73 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 37.55 3h1i s ILE 147 CO 0.59 0.09 1.04 0.00 0.00 0.00 0.00 174.94 176.66 3h1i s ALA 148 N 1.70 3.26 -0.01 9.38 0.00 -1.26 -2.18 121.76 132.65 3h1i s ALA 148 Ca 0.40 0.59 -0.00 0.00 0.00 0.00 0.00 51.96 52.95 3h1i s ALA 148 Cb -0.17 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3h1i s ALA 148 CO 0.16 -0.35 0.02 0.09 0.00 0.00 0.00 175.76 175.68 3h1i n ASN 149 N 4.11 -2.18 0.00 0.00 3.02 -0.98 -5.02 115.26 114.21 3h1i n ASN 149 Ca 0.07 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 3h1i n ASN 149 Cb 0.49 -1.13 0.00 0.00 -0.61 0.00 0.00 39.78 38.53 3h1i n ASN 149 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3h1i n SER 150 N -0.48 0.00 0.00 6.41 3.41 -1.26 -5.02 113.62 116.68 3h1i n SER 150 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3h1i n SER 150 Cb 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 3h1i n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h1i n GLY 151 N -0.87 1.26 1.79 5.00 0.00 -1.26 -3.61 105.19 107.50 3h1i n GLY 151 Ca 0.00 -2.18 -0.08 0.00 0.00 0.00 0.00 46.02 43.76 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 0.00 4.03 -1.25 1.61 8.00 -1.26 -4.07 116.55 123.61 3h1i n ASP 152 Ca 0.00 -3.02 0.01 0.00 0.71 0.00 0.00 54.79 52.50 3h1i n ASP 152 Cb 0.00 -0.71 -0.00 0.00 -0.02 0.00 0.00 41.12 40.39 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 -0.24 0.00 -1.70 1.24 3.01 -1.26 -5.02 117.46 113.49 3h1i n PHE 153 Ca 0.36 -0.43 0.00 0.00 1.01 0.00 0.00 57.45 58.39 3h1i n PHE 153 Cb 1.23 0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.71 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 0.32 -0.27 0.00 1.37 0.00 -1.26 -3.84 105.19 101.51 3h1i n GLY 154 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.27 0.22 1.45 -0.02 0.00 -1.13 -4.31 105.19 101.13 3h1i n GLY 155 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.82 -0.47 -3.26 1.61 4.02 0.21 -2.31 117.16 116.14 3h1i n TYR 156 Ca 0.00 -1.21 0.03 0.00 -0.01 0.00 0.00 57.90 56.71 3h1i n TYR 156 Cb 0.00 0.16 -0.02 0.00 -0.02 0.00 0.00 39.34 39.45 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 -2.92 -0.82 -0.50 -0.72 5.04 -0.92 -2.33 117.35 114.17 3h1i s TYR 157 Ca 0.17 1.07 -0.23 0.00 -2.44 0.00 0.00 57.07 55.64 3h1i s TYR 157 Cb 0.01 0.36 0.04 0.00 0.35 0.00 0.00 41.96 42.72 3h1i s TYR 157 CO 0.12 -0.43 0.83 0.00 -1.34 0.00 0.00 175.55 174.73 3h1i n PRO 159 N 6.97 0.10 -0.06 0.00 -0.04 -1.26 -2.50 135.00 138.21 3h1i n PRO 159 Ca 0.01 0.16 -0.14 0.00 -0.04 0.00 0.00 63.50 63.49 3h1i n PRO 159 Cb 0.48 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.37 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 -4.33 0.14 -3.54 0.00 8.25 -1.21 -5.04 115.22 109.48 3h1i n HIS 161 Ca -0.06 -0.86 -0.20 0.00 -0.26 0.00 0.00 57.72 56.35 3h1i n HIS 161 Cb 0.49 0.01 0.07 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 0.13 -0.37 3.80 -1.41 0.00 -1.04 -4.51 105.19 101.79 3h1i n GLY 162 Ca 0.00 0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 -4.18 6.85 -0.12 1.61 0.01 -1.17 -4.31 113.70 112.39 3h1i s SER 163 Ca 0.10 1.02 -0.02 0.00 1.31 0.00 0.00 55.95 58.36 3h1i s SER 163 Cb -0.05 -2.29 -0.03 0.00 0.21 0.00 0.00 66.02 63.86 3h1i s SER 163 CO 0.76 0.22 -0.05 -1.00 0.41 0.00 0.00 173.24 173.58 3h1i s HIS 164 N -0.62 2.99 0.07 2.43 0.09 0.24 -1.63 115.29 118.86 3h1i s HIS 164 Ca 0.26 -0.18 0.08 0.00 -0.00 0.00 0.00 55.06 55.23 3h1i s HIS 164 Cb -0.17 -1.86 -0.03 0.00 -0.00 0.00 0.00 32.58 30.52 3h1i s HIS 164 CO 0.14 0.12 -0.22 0.71 -0.00 0.00 0.00 174.74 175.49 3h1i s TYR 165 N -0.13 1.89 0.54 1.40 1.51 -0.98 -1.12 117.35 120.47 3h1i s TYR 165 Ca 0.02 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.66 3h1i s TYR 165 Cb -0.13 -1.08 0.01 0.00 -0.11 0.00 0.00 41.96 40.65 3h1i s TYR 165 CO 0.03 0.16 0.81 0.16 -1.11 0.00 0.00 175.55 175.59 3h1i s ASP 166 N -1.52 5.53 0.00 2.29 1.47 -0.37 0.65 116.67 124.73 3h1i s ASP 166 Ca 0.08 0.39 0.00 0.00 1.18 0.00 0.00 52.55 54.20 3h1i s ASP 166 Cb -0.09 -1.42 0.00 0.00 -0.34 0.00 0.00 42.92 41.07 3h1i s ASP 166 CO 0.03 -1.01 0.81 0.00 0.68 0.00 0.00 175.17 175.68 3h1i n ALA 167 N -2.39 0.77 1.01 2.11 0.00 -1.25 0.25 120.51 121.01 3h1i n ALA 167 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.59 3h1i n ALA 167 Cb 0.58 -0.73 0.05 0.00 0.00 0.00 0.00 19.45 19.35 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 -1.31 0.86 0.00 0.00 2.88 -1.26 -4.94 113.62 109.85 3h1i n SER 168 Ca 0.00 -0.73 0.00 0.00 -1.33 0.00 0.00 58.87 56.81 3h1i n SER 168 Cb 0.12 0.65 0.00 0.00 -0.75 0.00 0.00 64.21 64.23 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 1.49 0.54 3.91 0.46 0.00 0.69 -4.92 105.19 107.35 3h1i n GLY 169 Ca 0.05 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.86 3.57 -0.22 1.61 0.52 -1.24 -0.42 118.95 119.91 3h1i s ARG 170 Ca 0.00 -0.19 -0.25 0.00 -0.52 0.00 0.00 55.73 54.76 3h1i s ARG 170 Cb 0.00 -2.85 -0.01 0.00 0.52 0.00 0.00 34.95 32.62 3h1i s ARG 170 CO 0.00 0.44 0.86 -1.50 0.02 0.00 0.00 175.30 175.12 3h1i s ILE 171 N -1.74 4.83 -0.13 1.52 1.10 -1.26 -1.24 121.20 124.29 3h1i s ILE 171 Ca 0.40 1.64 -0.08 0.00 -0.51 0.00 0.00 60.65 62.10 3h1i s ILE 171 Cb -0.12 -4.15 -0.06 0.00 0.15 0.00 0.00 42.46 38.29 3h1i s ILE 171 CO 0.27 -0.06 -0.19 0.54 -2.11 0.00 0.00 174.94 173.38 3h1i n ARG 172 N 5.84 0.31 -4.48 3.50 5.12 -0.27 -4.34 116.66 122.33 3h1i n ARG 172 Ca 0.06 0.14 -0.22 0.00 -1.93 0.00 0.00 57.85 55.90 3h1i n ARG 172 Cb 0.48 -1.03 -0.14 0.00 -1.16 0.00 0.00 32.46 30.61 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 -2.33 1.07 0.00 5.56 2.20 -1.22 -4.92 119.74 120.11 3h1i s LYS 173 Ca -0.20 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 54.68 3h1i s LYS 173 Cb 0.07 -1.09 0.00 0.00 -1.51 0.00 0.00 37.83 35.30 3h1i s LYS 173 CO 0.26 0.28 0.00 0.41 -0.36 0.00 0.00 175.35 175.94 3h1i n GLY 174 N 2.10 0.41 0.08 5.54 0.00 -1.26 0.79 105.19 112.85 3h1i n GLY 174 Ca -0.17 -2.26 0.11 0.00 0.00 0.00 0.00 46.02 43.70 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 0.00 0.50 -1.68 1.61 -0.04 -1.26 -4.91 135.00 129.22 3h1i n PRO 175 Ca 0.00 0.07 -0.46 0.00 -0.04 0.00 0.00 63.50 63.07 3h1i n PRO 175 Cb 0.00 -1.74 -0.04 0.00 -0.04 0.00 0.00 33.50 31.68 3h1i n PRO 175 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1i n ALA 176 N -2.07 1.47 0.03 0.55 0.00 -1.26 -4.87 120.51 114.35 3h1i n ALA 176 Ca 0.01 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3h1i n ALA 176 Cb 0.51 -2.43 -0.09 0.00 0.00 0.00 0.00 19.45 17.45 3h1i n ALA 176 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3h1i n PRO 177 N 4.55 0.62 -4.58 0.00 -0.04 -1.26 -4.93 135.00 129.36 3h1i n PRO 177 Ca 0.18 0.20 -0.27 0.00 -0.04 0.00 0.00 63.50 63.58 3h1i n PRO 177 Cb 0.31 -1.79 -0.11 0.00 -0.04 0.00 0.00 33.50 31.87 3h1i n PRO 177 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3h1i s TYR 178 N -2.94 2.42 0.10 0.54 1.51 -1.26 -4.49 117.35 113.24 3h1i s TYR 178 Ca -0.03 -0.63 -0.12 0.00 -1.01 0.00 0.00 57.07 55.27 3h1i s TYR 178 Cb 0.09 -1.59 -0.06 0.00 -0.11 0.00 0.00 41.96 40.28 3h1i s TYR 178 CO 0.81 0.46 0.46 -0.80 -1.11 0.00 0.00 175.55 175.37 3h1i s ASN 179 N -3.65 6.73 0.34 2.29 0.01 -1.26 -4.28 114.94 115.11 3h1i s ASN 179 Ca 0.34 0.92 -0.12 0.00 -0.71 0.00 0.00 52.86 53.29 3h1i s ASN 179 Cb 0.07 -2.23 -0.10 0.00 0.41 0.00 0.00 41.25 39.40 3h1i s ASN 179 CO 0.17 0.15 -0.09 0.18 -1.51 0.00 0.00 177.10 176.01 3h1i n LEU 180 N 0.93 -2.47 -4.72 0.60 4.77 0.43 -4.82 117.00 111.73 3h1i n LEU 180 Ca -0.07 0.44 -0.42 0.00 -0.03 0.00 0.00 56.01 55.92 3h1i n LEU 180 Cb 0.52 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 3h1i n LEU 180 CO 0.42 -3.21 0.85 -0.70 -1.33 0.00 0.00 177.39 173.42 3h1i s GLU 181 N -0.68 4.46 -0.32 3.23 2.12 -1.26 -4.89 118.70 121.36 3h1i s GLU 181 Ca 0.38 1.74 -0.12 0.00 0.36 0.00 0.00 54.97 57.33 3h1i s GLU 181 Cb -0.33 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 30.70 3h1i s GLU 181 CO 0.44 -0.19 0.21 0.08 -0.54 0.00 0.00 175.26 175.26 3h1i s VAL 182 N 0.86 5.12 1.05 3.70 1.01 -1.26 0.05 120.40 130.92 3h1i s VAL 182 Ca 0.57 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 62.20 3h1i s VAL 182 Cb -0.29 -3.60 0.21 0.00 0.00 0.00 0.00 36.38 32.71 3h1i s VAL 182 CO 0.30 0.05 1.11 -2.16 0.00 0.00 0.00 175.10 174.40 3h1i s PRO 183 N 1.70 0.04 -0.32 2.72 0.04 -1.26 -4.98 135.00 132.94 3h1i s PRO 183 Ca 0.06 0.31 -0.11 0.00 0.04 0.00 0.00 61.00 61.30 3h1i s PRO 183 Cb -0.17 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 3h1i s PRO 183 CO 0.10 -2.94 0.18 0.99 0.04 0.00 0.00 177.00 175.36 3h1i s THR 184 N -3.03 4.83 0.00 1.26 2.01 -1.26 -5.03 115.64 114.42 3h1i s THR 184 Ca 0.67 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.35 3h1i s THR 184 Cb -0.16 -3.45 0.00 0.00 0.01 0.00 0.00 72.50 68.90 3h1i s THR 184 CO 0.57 0.06 0.00 0.00 -0.69 0.00 0.00 174.62 174.56 3h1i n TYR 185 N 5.02 0.00 0.00 4.92 0.18 -1.26 -1.41 117.16 124.61 3h1i n TYR 185 Ca -0.14 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.64 3h1i n TYR 185 Cb 0.49 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.45 3h1i n TYR 185 CO 0.00 0.00 0.00 0.94 -2.08 0.00 0.00 176.86 175.72 3h1i n GLN 186 N 0.00 0.00 -3.02 -3.48 7.27 -0.76 -4.89 117.38 112.50 3h1i n GLN 186 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.65 3h1i n GLN 186 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 3h1i n GLN 186 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 3h1i n PHE 187 N -0.47 2.33 0.36 3.69 3.72 -1.26 -1.55 117.46 124.27 3h1i n PHE 187 Ca 0.00 -2.67 0.00 0.00 -0.05 0.00 0.00 57.45 54.73 3h1i n PHE 187 Cb 0.00 -1.20 0.00 0.00 -0.94 0.00 0.00 39.48 37.34 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 1.22 0.70 -3.74 -4.37 0.24 -1.25 -4.82 118.33 106.33 3h1i n VAL 188 Ca 0.27 -0.07 -0.01 0.00 -2.04 0.00 0.00 64.34 62.49 3h1i n VAL 188 Cb 0.33 -0.90 0.01 0.00 -1.47 0.00 0.00 33.84 31.81 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 0.96 0.82 0.07 7.63 0.00 -1.11 -4.93 105.19 108.63 3h1i n GLY 189 Ca 0.00 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 3h1i n GLY 189 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h1i h ASP 190 N 1.17 0.00 0.00 1.61 3.32 -2.04 -3.40 116.42 117.07 3h1i h ASP 190 Ca -0.16 -0.77 -0.09 0.00 0.02 0.00 0.00 57.03 56.03 3h1i h ASP 190 Cb 0.71 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.06 3h1i h ASP 190 CO 0.21 0.90 -0.75 -0.90 -1.72 0.00 0.00 179.24 176.98 3h1i n ASP 191 N -4.64 1.25 -3.72 6.45 5.75 -1.26 -5.02 116.55 115.35 3h1i n ASP 191 Ca -0.08 -2.74 -0.26 0.00 -0.01 0.00 0.00 54.79 51.71 3h1i n ASP 191 Cb 0.38 -0.38 -0.17 0.00 -1.03 0.00 0.00 41.12 39.92 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 -1.31 0.81 -0.06 -2.12 2.96 -1.26 0.35 118.68 118.05 3h1i s LEU 192 Ca 0.33 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 3h1i s LEU 192 Cb 0.35 -0.47 -0.02 0.00 0.50 0.00 0.00 46.19 46.54 3h1i s LEU 192 CO -0.11 -0.27 -0.14 0.54 -1.32 0.00 0.00 176.35 175.05 3h1i s VAL 193 N 1.95 3.09 -0.11 1.68 0.11 -0.78 -2.74 120.40 123.60 3h1i s VAL 193 Ca 0.02 -0.71 -0.02 0.00 -2.93 0.00 0.00 61.98 58.34 3h1i s VAL 193 Cb -0.15 -2.22 -0.03 0.00 -1.53 0.00 0.00 36.38 32.45 3h1i s VAL 193 CO -0.07 0.59 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.56 3h1i s VAL 194 N -0.63 3.96 -0.07 2.04 1.01 -0.60 -1.50 120.40 124.62 3h1i s VAL 194 Ca 0.09 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.76 3h1i s VAL 194 Cb -0.11 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 3h1i s VAL 194 CO 0.01 0.55 -0.23 -0.69 0.00 0.00 0.00 175.10 174.74 3h1i s VAL 195 N -0.29 2.23 0.00 2.92 1.01 -1.08 -1.83 120.40 123.37 3h1i s VAL 195 Ca 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.03 3h1i s VAL 195 Cb -0.12 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.42 3h1i s VAL 195 CO 0.02 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.30