#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1l n HIS 2 N 0.00 0.00 0.06 6.34 1.44 -1.26 -2.46 115.22 119.34 3h1l n HIS 2 Ca 0.00 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.67 3h1l n HIS 2 Cb 0.00 -0.03 -0.08 0.00 0.12 0.00 0.00 29.99 30.00 3h1l n HIS 2 CO 0.00 0.00 0.00 -0.91 -2.81 0.00 0.00 176.34 172.62 3h1l h ASN 3 N 0.00 0.00 -0.02 4.39 2.35 -2.12 -3.23 115.58 116.94 3h1l h ASN 3 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h1l h ASN 3 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 3h1l h ASN 3 CO 0.00 0.80 0.00 0.47 -1.65 0.00 0.00 177.43 177.05 3h1l n ASP 4 N -3.19 0.38 -4.71 5.81 10.43 -1.03 -4.82 116.55 119.42 3h1l n ASP 4 Ca -0.04 -1.30 -0.37 0.00 2.57 0.00 0.00 54.79 55.66 3h1l n ASP 4 Cb 0.89 -0.01 -0.07 0.00 1.84 0.00 0.00 41.12 43.76 3h1l n ASP 4 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3h1l s VAL 5 N -1.98 5.30 0.05 2.53 1.01 -1.22 -5.07 120.40 121.01 3h1l s VAL 5 Ca 0.38 0.53 0.01 0.00 0.00 0.00 0.00 61.98 62.90 3h1l s VAL 5 Cb 0.18 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 3h1l s VAL 5 CO 0.30 0.36 -0.06 -0.89 0.00 0.00 0.00 175.10 174.81 3h1l s THR 6 N 0.67 0.45 -0.27 3.92 2.01 -1.26 -5.07 115.64 116.08 3h1l s THR 6 Ca 0.16 -1.23 -0.29 0.00 0.31 0.00 0.00 61.69 60.64 3h1l s THR 6 Cb -0.13 -0.76 -0.00 0.00 0.01 0.00 0.00 72.50 71.61 3h1l s THR 6 CO 0.04 -0.52 1.30 -0.69 -0.69 0.00 0.00 174.62 174.06 3h1l s VAL 7 N -1.91 4.16 1.02 3.82 1.01 -1.26 -5.01 120.40 122.23 3h1l s VAL 7 Ca -0.07 1.33 -0.14 0.00 0.00 0.00 0.00 61.98 63.10 3h1l s VAL 7 Cb -0.06 -4.12 0.16 0.00 0.00 0.00 0.00 36.38 32.36 3h1l s VAL 7 CO -0.01 -0.41 0.27 -2.65 0.00 0.00 0.00 175.10 172.29 3h1l n PRO 8 N 7.19 -2.22 -3.15 2.72 -0.02 -1.26 -4.91 135.00 133.35 3h1l n PRO 8 Ca 0.15 -0.66 -0.40 0.00 -2.02 0.00 0.00 63.50 60.57 3h1l n PRO 8 Cb 0.46 -1.49 -0.07 0.00 -0.02 0.00 0.00 33.50 32.38 3h1l n PRO 8 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3h1l s ASP 9 N -1.97 6.52 -0.45 2.55 2.15 -1.26 -4.94 116.67 119.28 3h1l s ASP 9 Ca 0.38 0.62 0.04 0.00 0.43 0.00 0.00 52.55 54.02 3h1l s ASP 9 Cb -0.06 -2.32 0.57 0.00 -0.30 0.00 0.00 42.92 40.81 3h1l s ASP 9 CO 0.37 -0.35 1.79 0.49 -0.17 0.00 0.00 175.17 177.31 3h1l n PHE 10 N 5.67 2.61 0.06 -5.34 3.01 -1.26 -4.49 117.46 117.72 3h1l n PHE 10 Ca -0.02 -2.06 -0.08 0.00 1.01 0.00 0.00 57.45 56.30 3h1l n PHE 10 Cb 0.49 -0.91 0.07 0.00 -0.01 0.00 0.00 39.48 39.12 3h1l n PHE 10 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3h1l h SER 11 N 1.27 0.40 -0.00 4.37 0.02 -1.95 0.97 113.55 118.63 3h1l h SER 11 Ca 0.52 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3h1l h SER 11 Cb 2.08 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 64.50 3h1l h SER 11 CO 1.02 0.94 0.13 0.00 -1.14 0.00 0.00 176.83 177.77 3h1l h ALA 12 N 1.06 1.13 0.00 3.77 0.00 -2.03 -3.07 119.26 120.12 3h1l h ALA 12 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h1l h ALA 12 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3h1l h ALA 12 CO 0.11 -0.13 -0.34 0.66 0.00 0.00 0.00 179.25 179.55 3h1l n TYR 13 N -3.02 0.00 -1.84 0.00 4.01 -0.95 -5.08 117.16 110.28 3h1l n TYR 13 Ca -0.03 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.36 3h1l n TYR 13 Cb 0.19 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.27 3h1l n TYR 13 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3h1l s ARG 14 N -1.23 2.73 0.61 -0.72 0.52 0.30 -4.99 118.95 116.17 3h1l s ARG 14 Ca 0.00 1.85 -0.16 0.00 -0.52 0.00 0.00 55.73 56.90 3h1l s ARG 14 Cb 0.00 -1.89 -0.03 0.00 0.52 0.00 0.00 34.95 33.55 3h1l s ARG 14 CO 0.00 -1.40 1.09 1.03 0.02 0.00 0.00 175.30 176.04 3h1l s ARG 15 N -3.47 3.10 0.27 3.54 0.52 -1.26 -4.92 118.95 116.73 3h1l s ARG 15 Ca 0.78 1.37 0.00 0.00 -0.52 0.00 0.00 55.73 57.36 3h1l s ARG 15 Cb -0.31 -1.99 0.60 0.00 0.52 0.00 0.00 34.95 33.77 3h1l s ARG 15 CO 0.37 -1.01 1.72 1.49 0.02 0.00 0.00 175.30 177.88 3h1l h GLU 16 N 0.43 0.43 0.00 3.54 4.81 -1.98 -2.75 114.58 119.06 3h1l h GLU 16 Ca -0.47 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3h1l h GLU 16 Cb 1.24 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3h1l h GLU 16 CO 0.56 0.28 0.00 -0.44 -0.73 0.00 0.00 179.01 178.68 3h1l h ASP 17 N 0.44 0.00 -0.65 1.04 5.19 -1.99 -3.16 116.42 117.29 3h1l h ASP 17 Ca 0.49 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 56.43 3h1l h ASP 17 Cb 0.85 0.00 -0.37 0.00 0.18 0.00 0.00 39.33 39.99 3h1l h ASP 17 CO -0.47 0.00 -0.76 1.33 -3.12 0.00 0.00 179.24 176.22 3h1l n VAL 18 N -3.02 2.49 -0.01 -1.35 0.24 -1.04 -4.67 118.33 110.97 3h1l n VAL 18 Ca 0.01 -4.08 -0.05 0.00 -2.04 0.00 0.00 64.34 58.17 3h1l n VAL 18 Cb 0.29 -1.02 -0.12 0.00 -1.47 0.00 0.00 33.84 31.52 3h1l n VAL 18 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 3h1l n MET 19 N -0.77 0.64 -3.03 7.34 0.00 -1.20 -4.78 117.12 115.33 3h1l n MET 19 Ca 0.41 0.23 -0.42 0.00 0.00 0.00 0.00 57.70 57.92 3h1l n MET 19 Cb 0.93 -1.76 -0.06 0.00 0.00 0.00 0.00 33.22 32.33 3h1l n MET 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3h1l s ASP 20 N -5.88 6.51 0.00 6.12 2.15 -1.26 -4.94 116.67 119.36 3h1l s ASP 20 Ca -0.05 0.32 0.01 0.00 0.43 0.00 0.00 52.55 53.26 3h1l s ASP 20 Cb 0.08 -2.36 0.03 0.00 -0.30 0.00 0.00 42.92 40.37 3h1l s ASP 20 CO 0.82 -0.64 0.60 0.00 -0.17 0.00 0.00 175.17 175.79 3h1l n ALA 21 N 6.19 1.45 -0.93 3.66 0.00 -1.26 -2.33 120.51 127.29 3h1l n ALA 21 Ca 0.01 -0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.51 3h1l n ALA 21 Cb 0.48 -1.01 0.09 0.00 0.00 0.00 0.00 19.45 19.01 3h1l n ALA 21 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3h1l n THR 22 N -1.07 1.42 -5.06 0.00 -2.24 -1.26 -5.00 114.28 101.07 3h1l n THR 22 Ca 0.00 -1.66 -0.30 0.00 -2.27 0.00 0.00 64.05 59.83 3h1l n THR 22 Cb 0.00 0.05 -0.17 0.00 -2.10 0.00 0.00 70.33 68.11 3h1l n THR 22 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3h1l s THR 23 N -2.05 1.79 -0.23 4.28 2.01 -0.98 -5.07 115.64 115.38 3h1l s THR 23 Ca 0.20 -0.89 -0.35 0.00 0.31 0.00 0.00 61.69 60.97 3h1l s THR 23 Cb 0.18 -1.54 -0.11 0.00 0.01 0.00 0.00 72.50 71.03 3h1l s THR 23 CO 0.02 0.50 2.02 -0.24 -0.69 0.00 0.00 174.62 176.23 3h1l n SER 24 N 3.33 2.79 0.32 3.53 2.88 -1.26 -4.78 113.62 120.44 3h1l n SER 24 Ca -0.19 0.69 0.21 0.00 -1.33 0.00 0.00 58.87 58.25 3h1l n SER 24 Cb 0.53 -1.32 1.10 0.00 -0.75 0.00 0.00 64.21 63.77 3h1l n SER 24 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3h1l h SER 25 N 10.82 0.00 -0.13 -3.46 4.64 -1.92 -3.03 113.55 120.46 3h1l h SER 25 Ca -0.39 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.96 3h1l h SER 25 Cb 1.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 3h1l h SER 25 CO 0.98 0.01 0.09 1.56 -0.87 0.00 0.00 176.83 178.60 3h1l h GLN 26 N 0.00 0.00 -0.16 4.77 1.08 -1.98 -3.03 115.11 115.79 3h1l h GLN 26 Ca -0.00 -0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 3h1l h GLN 26 Cb 0.08 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 3h1l h GLN 26 CO 0.00 0.00 -0.03 1.79 -0.95 0.00 0.00 178.83 179.64 3h1l h THR 27 N 0.00 1.28 0.00 -0.54 1.35 -1.93 -3.16 112.91 109.92 3h1l h THR 27 Ca 0.06 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 3h1l h THR 27 Cb 0.25 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 3h1l h THR 27 CO -0.00 0.29 0.00 -1.54 -0.25 0.00 0.00 175.52 174.02 3h1l n SER 28 N -4.69 0.00 0.51 5.36 3.41 -1.16 -4.09 113.62 112.97 3h1l n SER 28 Ca -0.05 -0.49 -0.20 0.00 -0.26 0.00 0.00 58.87 57.87 3h1l n SER 28 Cb 0.25 -0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 63.94 3h1l n SER 28 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3h1l h SER 29 N 0.00 -1.09 -1.41 4.04 4.64 -1.49 -1.18 113.55 117.06 3h1l h SER 29 Ca 0.00 0.04 0.47 0.00 -0.47 0.00 0.00 61.79 61.83 3h1l h SER 29 Cb 0.16 0.28 -0.13 0.00 -0.31 0.00 0.00 62.40 62.40 3h1l h SER 29 CO 0.00 -0.77 0.93 -0.62 -0.87 0.00 0.00 176.83 175.49 3h1l n GLU 30 N -5.64 -0.03 -0.04 4.77 -0.58 -1.26 -1.13 120.64 116.73 3h1l n GLU 30 Ca -0.16 1.18 -0.01 0.00 -0.42 0.00 0.00 57.16 57.75 3h1l n GLU 30 Cb 0.51 -2.38 -0.00 0.00 -0.57 0.00 0.00 31.44 29.00 3h1l n GLU 30 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 3h1l h ASP 31 N 0.00 0.00 -1.32 1.62 3.32 -1.76 -2.09 116.42 116.19 3h1l h ASP 31 Ca 0.85 0.00 0.45 0.00 0.02 0.00 0.00 57.03 58.35 3h1l h ASP 31 Cb 2.86 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 42.29 3h1l h ASP 31 CO -0.38 0.43 0.86 0.54 -1.72 0.00 0.00 179.24 178.96 3h1l n ARG 32 N -4.12 -0.03 0.04 3.56 1.74 -0.28 0.65 116.66 118.21 3h1l n ARG 32 Ca -0.01 1.13 -0.22 0.00 -0.77 0.00 0.00 57.85 57.98 3h1l n ARG 32 Cb 0.04 -2.26 -0.14 0.00 -1.02 0.00 0.00 32.46 29.07 3h1l n ARG 32 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3h1l h LYS 33 N 0.00 0.32 -0.75 5.56 1.57 -1.28 -3.23 116.57 118.76 3h1l h LYS 33 Ca 0.81 -0.55 0.06 0.00 -1.87 0.00 0.00 60.65 59.10 3h1l h LYS 33 Cb 2.69 0.21 -0.05 0.00 0.08 0.00 0.00 32.23 35.16 3h1l h LYS 33 CO -0.38 1.27 0.49 0.78 -0.57 0.00 0.00 179.45 181.04 3h1l h GLY 34 N 0.87 1.01 0.48 3.86 0.00 0.95 0.32 103.07 110.56 3h1l h GLY 34 Ca -0.39 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 3h1l h GLY 34 CO 0.13 0.24 -0.04 -2.75 0.00 0.00 0.00 176.54 174.12 3h1l h PHE 35 N 0.80 0.07 -0.38 5.60 3.57 -1.03 -1.15 116.94 124.42 3h1l h PHE 35 Ca 0.32 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.75 3h1l h PHE 35 Cb 0.24 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 3h1l h PHE 35 CO -0.00 0.61 0.03 0.77 -2.23 0.00 0.00 178.31 177.49 3h1l h SER 36 N -0.48 0.55 1.58 0.41 0.02 -1.50 -1.92 113.55 112.21 3h1l h SER 36 Ca 0.00 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.81 3h1l h SER 36 Cb 0.60 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 3h1l h SER 36 CO 0.01 0.60 -0.18 1.88 -1.14 0.00 0.00 176.83 178.00 3h1l h TYR 37 N 0.57 0.00 -0.02 3.45 0.99 -0.37 -3.04 116.97 118.56 3h1l h TYR 37 Ca 0.12 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.64 3h1l h TYR 37 Cb 0.31 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.04 3h1l h TYR 37 CO 0.01 0.18 -0.88 1.25 -0.00 0.00 0.00 178.16 178.73 3h1l h LEU 38 N 0.00 0.47 -0.43 3.88 5.85 -0.64 0.11 115.31 124.55 3h1l h LEU 38 Ca -0.00 -0.36 -0.04 0.00 0.84 0.00 0.00 57.88 58.32 3h1l h LEU 38 Cb 1.02 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 3h1l h LEU 38 CO 0.02 1.14 0.12 0.58 -0.34 0.00 0.00 178.44 179.97 3h1l h VAL 39 N 0.22 1.22 -0.47 1.05 2.07 -1.29 -1.66 116.25 117.40 3h1l h VAL 39 Ca -0.06 -0.75 -0.09 0.00 0.82 0.00 0.00 66.70 66.61 3h1l h VAL 39 Cb 1.50 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 3h1l h VAL 39 CO 0.15 0.27 -0.07 0.74 0.02 0.00 0.00 177.57 178.68 3h1l h THR 40 N 0.55 1.27 -0.72 2.57 2.02 -1.47 -1.37 112.91 115.77 3h1l h THR 40 Ca 0.14 -1.17 0.02 0.00 0.77 0.00 0.00 66.41 66.16 3h1l h THR 40 Cb 0.28 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 3h1l h THR 40 CO -0.00 0.40 0.48 0.00 0.37 0.00 0.00 175.52 176.77 3h1l h ALA 41 N 0.89 1.53 0.02 6.16 0.00 -0.60 -1.38 119.26 125.89 3h1l h ALA 41 Ca 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3h1l h ALA 41 Cb 0.60 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3h1l h ALA 41 CO 0.04 0.42 -0.01 1.15 0.00 0.00 0.00 179.25 180.85 3h1l h THR 42 N 0.93 1.34 -0.83 0.00 2.02 -1.06 -1.79 112.91 113.52 3h1l h THR 42 Ca 0.27 -1.15 0.20 0.00 0.77 0.00 0.00 66.41 66.50 3h1l h THR 42 Cb -0.04 2.11 -0.12 0.00 -1.74 0.00 0.00 68.15 68.36 3h1l h THR 42 CO -0.07 0.29 0.29 0.00 0.37 0.00 0.00 175.52 176.41 3h1l h ALA 43 N 0.43 1.22 -0.69 6.16 0.00 -1.02 0.76 119.26 126.12 3h1l h ALA 43 Ca -0.00 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3h1l h ALA 43 Cb 0.50 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3h1l h ALA 43 CO 0.00 -0.35 0.32 0.00 0.00 0.00 0.00 179.25 179.23 3h1l h VAL 45 N 0.97 1.28 -0.63 0.00 2.07 0.30 0.43 116.25 120.67 3h1l h VAL 45 Ca 0.24 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 3h1l h VAL 45 Cb 0.14 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3h1l h VAL 45 CO -0.03 0.38 0.28 0.00 0.02 0.00 0.00 177.57 178.23 3h1l h ALA 46 N 0.79 0.82 -0.22 1.67 0.00 0.63 -0.86 119.26 122.09 3h1l h ALA 46 Ca 0.08 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 3h1l h ALA 46 Cb 0.62 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3h1l h ALA 46 CO 0.04 0.41 -0.36 1.15 0.00 0.00 0.00 179.25 180.48 3h1l h THR 47 N 0.88 1.32 -0.82 0.00 2.02 -0.60 -2.39 112.91 113.32 3h1l h THR 47 Ca 0.21 -1.58 0.12 0.00 0.77 0.00 0.00 66.41 65.94 3h1l h THR 47 Cb 0.16 1.80 -0.08 0.00 -1.74 0.00 0.00 68.15 68.28 3h1l h THR 47 CO -0.02 0.49 0.43 0.00 0.37 0.00 0.00 175.52 176.79 3h1l h ALA 48 N 0.62 1.19 0.64 6.16 0.00 0.17 0.29 119.26 128.33 3h1l h ALA 48 Ca 0.02 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3h1l h ALA 48 Cb 0.95 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.69 3h1l h ALA 48 CO 0.08 -0.02 -0.31 -0.92 0.00 0.00 0.00 179.25 178.09 3h1l h TYR 49 N 0.68 -0.79 -0.68 0.00 3.20 -1.09 -1.74 116.97 116.55 3h1l h TYR 49 Ca 0.42 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.40 3h1l h TYR 49 Cb 0.51 0.26 -0.13 0.00 1.54 0.00 0.00 36.73 38.91 3h1l h TYR 49 CO -0.08 -0.49 -0.22 0.00 -1.64 0.00 0.00 178.16 175.72 3h1l h ALA 50 N -1.58 0.34 0.64 1.82 0.00 -0.88 -1.32 119.26 118.27 3h1l h ALA 50 Ca -0.09 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3h1l h ALA 50 Cb 0.66 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3h1l h ALA 50 CO 0.14 -0.48 -0.43 0.00 0.00 0.00 0.00 179.25 178.48 3h1l h ALA 51 N 1.53 -1.07 -0.78 0.00 0.00 -0.43 -1.10 119.26 117.40 3h1l h ALA 51 Ca 0.31 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 55.19 3h1l h ALA 51 Cb 0.53 0.55 -0.11 0.00 0.00 0.00 0.00 17.79 18.76 3h1l h ALA 51 CO -0.72 -1.12 0.25 -0.22 0.00 0.00 0.00 179.25 177.44 3h1l h LYS 52 N -1.02 0.32 -0.59 0.00 3.11 -0.87 -0.36 116.57 117.16 3h1l h LYS 52 Ca -0.08 -0.02 -0.07 0.00 -2.81 0.00 0.00 60.65 57.67 3h1l h LYS 52 Cb 0.84 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.97 3h1l h LYS 52 CO 0.05 0.21 0.07 -0.91 -2.81 0.00 0.00 179.45 176.07 3h1l h ASN 53 N 0.33 0.93 0.78 4.20 2.35 -0.95 0.74 115.58 123.96 3h1l h ASN 53 Ca 0.45 -0.22 -0.09 0.00 -0.55 0.00 0.00 56.30 55.89 3h1l h ASN 53 Cb 0.78 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 3h1l h ASN 53 CO -0.50 0.95 -0.43 0.58 -1.65 0.00 0.00 177.43 176.38 3h1l h VAL 54 N 0.91 1.01 0.04 2.81 2.07 0.20 -2.40 116.25 120.89 3h1l h VAL 54 Ca 0.18 -1.63 -0.10 0.00 0.82 0.00 0.00 66.70 65.97 3h1l h VAL 54 Cb 0.43 1.96 0.01 0.00 -1.52 0.00 0.00 31.29 32.17 3h1l h VAL 54 CO 0.01 0.42 -0.41 0.58 0.02 0.00 0.00 177.57 178.19 3h1l h VAL 55 N 0.00 1.57 -0.96 2.57 2.07 -0.98 -2.46 116.25 118.06 3h1l h VAL 55 Ca -0.00 -2.22 0.11 0.00 0.82 0.00 0.00 66.70 65.41 3h1l h VAL 55 Cb 0.93 3.00 -0.13 0.00 -1.52 0.00 0.00 31.29 33.56 3h1l h VAL 55 CO 0.06 0.61 -0.50 0.74 0.02 0.00 0.00 177.57 178.49 3h1l h THR 56 N -0.51 0.01 0.47 2.57 2.02 -0.72 0.16 112.91 116.91 3h1l h THR 56 Ca -0.06 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 3h1l h THR 56 Cb 1.23 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3h1l h THR 56 CO 0.08 0.00 -0.26 1.56 0.37 0.00 0.00 175.52 177.27 3h1l h GLN 57 N -0.02 -0.65 -0.93 6.66 4.20 -1.48 -2.55 115.11 120.34 3h1l h GLN 57 Ca 0.23 0.04 0.20 0.00 0.06 0.00 0.00 58.65 59.18 3h1l h GLN 57 Cb 0.50 0.15 -0.11 0.00 0.30 0.00 0.00 27.48 28.31 3h1l h GLN 57 CO -0.94 -0.43 0.49 0.74 -0.67 0.00 0.00 178.83 178.02 3h1l h PHE 58 N -0.67 0.84 -0.25 2.96 0.05 -0.99 -0.34 116.94 118.54 3h1l h PHE 58 Ca -0.06 0.04 -0.06 0.00 3.82 0.00 0.00 57.97 61.70 3h1l h PHE 58 Cb 0.53 -0.23 -0.01 0.00 2.00 0.00 0.00 35.95 38.23 3h1l h PHE 58 CO 0.05 0.10 -0.12 0.82 -0.18 0.00 0.00 178.31 178.97 3h1l h ILE 59 N 0.58 1.21 -0.12 -0.55 5.03 -0.65 -1.66 117.51 121.34 3h1l h ILE 59 Ca 0.55 -0.94 0.00 0.00 -0.12 0.00 0.00 64.86 64.35 3h1l h ILE 59 Cb 0.94 1.16 0.00 0.00 -3.03 0.00 0.00 36.82 35.89 3h1l h ILE 59 CO -0.44 0.30 0.00 -1.54 -0.68 0.00 0.00 178.15 175.79 3h1l n SER 60 N -4.23 0.91 0.02 1.72 3.41 -0.18 -2.64 113.62 112.64 3h1l n SER 60 Ca 0.00 -1.70 0.13 0.00 -0.26 0.00 0.00 58.87 57.05 3h1l n SER 60 Cb 0.30 -0.08 0.50 0.00 -0.26 0.00 0.00 64.21 64.68 3h1l n SER 60 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3h1l n SER 61 N -0.13 0.25 -0.03 4.04 3.41 -0.62 -3.15 113.62 117.38 3h1l n SER 61 Ca 0.12 0.38 -0.02 0.00 -0.26 0.00 0.00 58.87 59.09 3h1l n SER 61 Cb 0.19 -0.40 -0.13 0.00 -0.26 0.00 0.00 64.21 63.61 3h1l n SER 61 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h1l n LEU 62 N -1.66 0.36 0.00 1.04 4.77 -1.08 -4.96 117.00 115.46 3h1l n LEU 62 Ca 0.06 0.16 -0.18 0.00 -0.03 0.00 0.00 56.01 56.02 3h1l n LEU 62 Cb 0.36 0.23 0.18 0.00 -2.33 0.00 0.00 43.42 41.85 3h1l n LEU 62 CO 0.29 0.27 0.20 -1.20 -1.33 0.00 0.00 177.39 175.63 3h1l n SER 63 N -2.72 -3.21 -4.77 -1.43 7.64 -1.19 -4.89 113.62 103.06 3h1l n SER 63 Ca -0.18 -0.52 -0.40 0.00 1.01 0.00 0.00 58.87 58.78 3h1l n SER 63 Cb 0.92 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 63.44 3h1l n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h1l s ALA 64 N -2.06 3.41 1.02 -0.43 0.00 -1.26 -5.02 121.76 117.42 3h1l s ALA 64 Ca 0.40 1.12 -0.02 0.00 0.00 0.00 0.00 51.96 53.46 3h1l s ALA 64 Cb -0.07 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.65 3h1l s ALA 64 CO 0.33 -0.50 0.10 -1.13 0.00 0.00 0.00 175.76 174.56 3h1l n SER 65 N 0.76 -1.04 0.09 0.00 3.41 -1.26 -4.98 113.62 110.60 3h1l n SER 65 Ca 0.00 -0.59 0.09 0.00 -0.26 0.00 0.00 58.87 58.12 3h1l n SER 65 Cb 0.43 -0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.28 3h1l n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h1l h ALA 66 N -2.06 0.54 0.00 7.33 0.00 -2.01 -3.33 119.26 119.73 3h1l h ALA 66 Ca -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3h1l h ALA 66 Cb 0.12 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3h1l h ALA 66 CO 0.03 0.18 0.00 0.38 0.00 0.00 0.00 179.25 179.83 3h1l h ASP 67 N 0.00 0.00 -2.64 0.00 2.03 -2.03 -3.43 116.42 110.35 3h1l h ASP 67 Ca -0.03 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.72 3h1l h ASP 67 Cb 1.11 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.60 3h1l h ASP 67 CO 0.01 0.00 1.07 -0.69 -1.03 0.00 0.00 179.24 178.60 3h1l s VAL 68 N -3.39 3.66 0.00 4.15 1.01 -1.25 -4.98 120.40 119.60 3h1l s VAL 68 Ca 0.05 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.82 3h1l s VAL 68 Cb 0.08 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.94 3h1l s VAL 68 CO 0.57 -0.08 0.00 0.18 0.00 0.00 0.00 175.10 175.78 3h1l n LEU 69 N 7.13 0.00 0.00 3.92 4.77 -1.26 -4.99 117.00 126.57 3h1l n LEU 69 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3h1l n LEU 69 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3h1l n LEU 69 CO 0.62 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.68 3h1l n ALA 70 N -3.00 0.00 -1.25 -1.18 0.00 -1.26 -5.17 120.51 108.66 3h1l n ALA 70 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3h1l n ALA 70 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 3h1l n ALA 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h1l s LEU 71 N 0.00 1.43 0.00 0.00 1.43 -1.26 -5.10 118.68 115.17 3h1l s LEU 71 Ca 0.00 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 3h1l s LEU 71 Cb 0.00 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.24 3h1l s LEU 71 CO 0.00 -3.33 0.00 -1.54 0.23 0.00 0.00 176.35 171.71 3h1l n SER 72 N -4.27 0.00 -0.37 2.29 3.41 -1.26 -5.09 113.62 108.33 3h1l n SER 72 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 3h1l n SER 72 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 3h1l n SER 72 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h1l n LYS 73 N 0.00 3.76 -3.53 4.33 5.02 -1.26 -4.86 118.16 121.62 3h1l n LYS 73 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3h1l n LYS 73 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 3h1l n LYS 73 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3h1l s ILE 74 N 2.54 -0.23 0.07 -0.18 2.07 -0.55 -4.96 121.20 119.96 3h1l s ILE 74 Ca 0.00 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.13 3h1l s ILE 74 Cb 0.00 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.53 3h1l s ILE 74 CO 0.00 0.00 0.42 -1.61 -1.91 0.00 0.00 174.94 171.84 3h1l s GLU 75 N 1.84 3.81 -0.07 3.50 2.02 -1.26 -1.58 118.70 126.96 3h1l s GLU 75 Ca -0.06 0.25 -0.03 0.00 0.02 0.00 0.00 54.97 55.14 3h1l s GLU 75 Cb -0.05 -3.02 0.04 0.00 0.10 0.00 0.00 34.13 31.20 3h1l s GLU 75 CO -0.16 0.57 0.17 0.42 0.02 0.00 0.00 175.26 176.28 3h1l s ILE 76 N -1.36 -0.05 -0.19 -1.63 1.01 0.47 -5.00 121.20 114.46 3h1l s ILE 76 Ca 0.32 0.18 -0.28 0.00 0.00 0.00 0.00 60.65 60.86 3h1l s ILE 76 Cb -0.14 -0.27 -0.00 0.00 0.01 0.00 0.00 42.46 42.06 3h1l s ILE 76 CO 0.17 0.07 0.99 -0.75 0.00 0.00 0.00 174.94 175.43 3h1l s LYS 77 N 1.21 4.31 0.00 2.79 2.20 -1.26 -0.31 119.74 128.68 3h1l s LYS 77 Ca -0.09 1.31 0.03 0.00 -0.36 0.00 0.00 55.97 56.86 3h1l s LYS 77 Cb -0.11 -3.60 0.19 0.00 -1.51 0.00 0.00 37.83 32.80 3h1l s LYS 77 CO -0.06 -0.49 0.69 1.28 -0.36 0.00 0.00 175.35 176.40 3h1l n LEU 78 N 5.77 0.00 -0.50 5.43 4.77 -0.31 -2.31 117.00 129.85 3h1l n LEU 78 Ca 0.10 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.18 3h1l n LEU 78 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3h1l n LEU 78 CO 0.51 0.00 0.32 -1.20 -1.33 0.00 0.00 177.39 175.69 3h1l n SER 79 N -0.60 2.00 0.02 -1.43 7.64 -1.26 -4.06 113.62 115.94 3h1l n SER 79 Ca 0.02 -1.50 0.05 0.00 1.01 0.00 0.00 58.87 58.46 3h1l n SER 79 Cb 0.01 0.44 -0.10 0.00 -1.01 0.00 0.00 64.21 63.55 3h1l n SER 79 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3h1l n ASP 80 N 0.06 0.43 -4.31 6.43 8.00 -0.98 -4.61 116.55 121.57 3h1l n ASP 80 Ca 0.09 0.18 -0.45 0.00 0.71 0.00 0.00 54.79 55.31 3h1l n ASP 80 Cb 0.44 1.00 -0.02 0.00 -0.02 0.00 0.00 41.12 42.52 3h1l n ASP 80 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h1l s ILE 81 N -3.19 5.55 0.88 0.53 1.01 -1.26 -5.06 121.20 119.67 3h1l s ILE 81 Ca -0.05 -2.83 -0.10 0.00 0.00 0.00 0.00 60.65 57.66 3h1l s ILE 81 Cb 0.10 -4.41 0.12 0.00 0.01 0.00 0.00 42.46 38.29 3h1l s ILE 81 CO 0.84 -1.07 1.12 -2.16 0.00 0.00 0.00 174.94 173.68 3h1l s PRO 82 N -0.32 1.31 0.53 2.79 0.04 -1.26 -4.76 135.00 133.33 3h1l s PRO 82 Ca 0.22 1.39 -0.22 0.00 0.04 0.00 0.00 61.00 62.44 3h1l s PRO 82 Cb -0.11 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.60 3h1l s PRO 82 CO -0.08 -2.38 1.21 -1.91 0.04 0.00 0.00 177.00 173.88 3h1l n GLU 83 N -4.04 1.48 -2.21 4.56 2.13 -1.26 -3.34 120.64 117.95 3h1l n GLU 83 Ca 0.11 0.55 -0.05 0.00 0.66 0.00 0.00 57.16 58.43 3h1l n GLU 83 Cb 0.52 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.84 3h1l n GLU 83 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h1l n GLY 84 N 0.94 0.28 3.26 8.31 0.00 -0.34 -5.01 105.19 112.64 3h1l n GLY 84 Ca 0.11 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 3h1l n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h1l s LYS 85 N -4.43 0.87 0.07 1.61 2.20 -1.21 -5.04 119.74 113.81 3h1l s LYS 85 Ca 0.03 -0.58 0.10 0.00 -0.36 0.00 0.00 55.97 55.15 3h1l s LYS 85 Cb -0.01 0.38 -0.03 0.00 -1.51 0.00 0.00 37.83 36.65 3h1l s LYS 85 CO 0.03 -0.29 -0.26 1.21 -0.36 0.00 0.00 175.35 175.68 3h1l s ASN 86 N -2.28 3.25 0.02 1.43 2.47 -1.26 -1.99 114.94 116.58 3h1l s ASN 86 Ca -0.02 -0.63 0.00 0.00 0.42 0.00 0.00 52.86 52.63 3h1l s ASN 86 Cb 0.00 -0.29 -0.02 0.00 -1.45 0.00 0.00 41.25 39.50 3h1l s ASN 86 CO -0.06 0.24 -0.03 -0.69 -3.72 0.00 0.00 177.10 172.84 3h1l s VAL 87 N -0.89 0.13 -0.14 -5.21 1.01 -1.09 -5.01 120.40 109.21 3h1l s VAL 87 Ca 0.13 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 3h1l s VAL 87 Cb -0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 3h1l s VAL 87 CO 0.03 -0.41 -0.07 0.00 0.00 0.00 0.00 175.10 174.65 3h1l s ALA 88 N -1.24 2.89 -0.05 5.51 0.00 -1.26 -2.71 121.76 124.91 3h1l s ALA 88 Ca -0.13 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.04 3h1l s ALA 88 Cb -0.09 -1.41 -0.01 0.00 0.00 0.00 0.00 23.12 21.61 3h1l s ALA 88 CO -0.01 0.28 -0.23 -0.06 0.00 0.00 0.00 175.76 175.74 3h1l s PHE 89 N 0.19 2.22 0.18 0.00 0.40 -0.56 -4.94 117.98 115.48 3h1l s PHE 89 Ca -0.04 -0.61 -0.31 0.00 -0.60 0.00 0.00 56.93 55.37 3h1l s PHE 89 Cb -0.14 -1.46 -0.10 0.00 0.51 0.00 0.00 43.02 41.84 3h1l s PHE 89 CO 0.04 -0.17 1.48 0.21 0.70 0.00 0.00 175.22 177.47 3h1l s LYS 90 N -0.20 4.26 -0.28 0.44 2.47 -1.26 -1.96 119.74 123.21 3h1l s LYS 90 Ca -0.01 2.27 -0.22 0.00 -1.56 0.00 0.00 55.97 56.45 3h1l s LYS 90 Cb -0.12 -3.16 0.11 0.00 -1.46 0.00 0.00 37.83 33.20 3h1l s LYS 90 CO 0.02 -0.50 0.92 -0.46 0.16 0.00 0.00 175.35 175.49 3h1l s TRP 91 N 0.74 -0.63 -1.33 4.03 -0.00 -1.25 -4.94 118.94 115.56 3h1l s TRP 91 Ca 0.65 1.43 -0.09 0.00 -0.00 0.00 0.00 56.10 58.09 3h1l s TRP 91 Cb -0.41 0.38 0.09 0.00 -0.00 0.00 0.00 33.47 33.52 3h1l s TRP 91 CO 0.35 -0.31 0.22 0.54 -0.00 0.00 0.00 176.95 177.76 3h1l n ARG 92 N 2.88 -0.87 0.00 5.86 1.74 -1.26 -2.51 116.66 122.51 3h1l n ARG 92 Ca -0.15 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3h1l n ARG 92 Cb 0.56 -3.21 0.00 0.00 -1.02 0.00 0.00 32.46 28.80 3h1l n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h1l n GLY 93 N -1.61 2.17 3.86 -0.13 0.00 -1.26 -4.96 105.19 103.27 3h1l n GLY 93 Ca -0.09 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 3h1l n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1l s LYS 94 N 0.00 3.88 1.00 1.61 -0.14 -1.04 -5.02 119.74 120.03 3h1l s LYS 94 Ca 0.00 0.57 -0.21 0.00 -1.36 0.00 0.00 55.97 54.98 3h1l s LYS 94 Cb 0.00 -2.39 -0.15 0.00 -1.68 0.00 0.00 37.83 33.60 3h1l s LYS 94 CO 0.00 0.03 -1.00 -2.30 -0.76 0.00 0.00 175.35 171.32 3h1l n PRO 95 N -0.93 -0.04 -3.68 -1.68 -0.02 -1.26 -3.83 135.00 123.55 3h1l n PRO 95 Ca 0.03 -0.01 -0.15 0.00 -2.02 0.00 0.00 63.50 61.35 3h1l n PRO 95 Cb 0.54 -1.05 -0.14 0.00 -0.02 0.00 0.00 33.50 32.83 3h1l n PRO 95 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3h1l s LEU 96 N 7.48 0.00 -0.01 2.45 2.96 -0.83 -3.14 118.68 127.60 3h1l s LEU 96 Ca 0.40 0.43 -0.07 0.00 -0.22 0.00 0.00 54.13 54.66 3h1l s LEU 96 Cb -0.08 0.46 -0.05 0.00 0.50 0.00 0.00 46.19 47.02 3h1l s LEU 96 CO 0.76 -0.22 0.26 -0.36 -1.32 0.00 0.00 176.35 175.47 3h1l s PHE 97 N 2.09 3.59 -0.18 5.38 0.08 0.12 -1.49 117.98 127.57 3h1l s PHE 97 Ca -0.00 0.59 -0.04 0.00 0.12 0.00 0.00 56.93 57.60 3h1l s PHE 97 Cb -0.12 -2.00 0.06 0.00 -0.57 0.00 0.00 43.02 40.39 3h1l s PHE 97 CO -0.07 0.63 0.06 0.08 -0.10 0.00 0.00 175.22 175.82 3h1l s VAL 98 N -1.25 0.23 -0.13 -0.44 1.01 -1.10 -1.84 120.40 116.88 3h1l s VAL 98 Ca 0.26 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.91 3h1l s VAL 98 Cb -0.13 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.45 3h1l s VAL 98 CO 0.14 -0.23 -0.21 -0.60 0.00 0.00 0.00 175.10 174.20 3h1l s ARG 99 N 2.00 3.09 -0.56 2.72 3.52 -0.03 -2.66 118.95 127.02 3h1l s ARG 99 Ca 0.01 -0.83 -0.20 0.00 -0.13 0.00 0.00 55.73 54.57 3h1l s ARG 99 Cb -0.16 -2.43 0.08 0.00 -1.56 0.00 0.00 34.95 30.87 3h1l s ARG 99 CO -0.08 0.08 0.73 -1.58 -0.81 0.00 0.00 175.30 173.63 3h1l s HIS 100 N 0.61 2.96 0.16 5.12 5.65 -0.84 -1.27 115.29 127.67 3h1l s HIS 100 Ca -0.11 -0.66 -0.21 0.00 0.25 0.00 0.00 55.06 54.32 3h1l s HIS 100 Cb -0.16 -3.87 -0.08 0.00 -1.18 0.00 0.00 32.58 27.29 3h1l s HIS 100 CO 0.03 -1.24 0.69 1.03 -0.65 0.00 0.00 174.74 174.59 3h1l s ARG 101 N 2.95 4.33 0.50 2.88 0.52 0.29 -1.20 118.95 129.22 3h1l s ARG 101 Ca 0.16 0.91 -0.08 0.00 -0.52 0.00 0.00 55.73 56.20 3h1l s ARG 101 Cb -0.20 -3.12 -0.04 0.00 0.52 0.00 0.00 34.95 32.11 3h1l s ARG 101 CO 0.10 0.53 0.84 0.95 0.02 0.00 0.00 175.30 177.75 3h1l s THR 102 N -1.27 4.83 -0.59 0.02 -4.23 -1.26 -4.65 115.64 108.49 3h1l s THR 102 Ca 0.36 0.46 0.21 0.00 -1.18 0.00 0.00 61.69 61.55 3h1l s THR 102 Cb -0.20 -3.84 0.21 0.00 1.34 0.00 0.00 72.50 70.02 3h1l s THR 102 CO 0.22 -0.85 1.64 1.67 -0.54 0.00 0.00 174.62 176.77 3h1l n GLN 103 N -2.17 0.15 0.28 3.99 7.27 -1.26 -1.58 117.38 124.06 3h1l n GLN 103 Ca 0.02 0.40 0.14 0.00 0.07 0.00 0.00 57.00 57.63 3h1l n GLN 103 Cb 0.55 -1.79 0.82 0.00 2.41 0.00 0.00 30.24 32.22 3h1l n GLN 103 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3h1l h ALA 104 N 2.30 1.41 0.00 1.69 0.00 -2.01 -3.03 119.26 119.62 3h1l h ALA 104 Ca 0.00 -0.06 -0.42 0.00 0.00 0.00 0.00 54.91 54.43 3h1l h ALA 104 Cb 0.32 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 3h1l h ALA 104 CO 0.00 0.08 -2.48 0.39 0.00 0.00 0.00 179.25 177.24 3h1l n GLU 105 N -3.76 0.59 0.23 0.00 1.02 -0.61 -4.41 120.64 113.70 3h1l n GLU 105 Ca -0.02 0.21 0.04 0.00 -0.02 0.00 0.00 57.16 57.36 3h1l n GLU 105 Cb 0.16 -1.48 0.19 0.00 -0.02 0.00 0.00 31.44 30.29 3h1l n GLU 105 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3h1l h ILE 106 N -0.59 0.00 0.04 -3.67 2.04 -1.27 0.35 117.51 114.40 3h1l h ILE 106 Ca -0.64 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.01 3h1l h ILE 106 Cb 1.71 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 3h1l h ILE 106 CO -0.29 0.00 -1.15 0.78 0.00 0.00 0.00 178.15 177.50 3h1l h ASN 107 N 0.00 0.12 -0.06 1.72 2.35 -1.75 -3.29 115.58 114.68 3h1l h ASN 107 Ca 0.00 -0.71 0.03 0.00 -0.55 0.00 0.00 56.30 55.08 3h1l h ASN 107 Cb 1.32 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 39.61 3h1l h ASN 107 CO 0.00 1.47 -0.14 1.56 -1.65 0.00 0.00 177.43 178.67 3h1l h GLN 108 N -0.75 -0.20 0.00 0.81 4.20 -0.54 0.50 115.11 119.13 3h1l h GLN 108 Ca -0.29 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.44 3h1l h GLN 108 Cb 1.42 0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.25 3h1l h GLN 108 CO -0.09 -0.13 0.08 0.93 -0.67 0.00 0.00 178.83 178.94 3h1l h GLU 109 N -0.21 0.00 -0.00 1.46 4.39 -1.62 -0.58 114.58 118.02 3h1l h GLU 109 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3h1l h GLU 109 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3h1l h GLU 109 CO -0.18 0.00 -0.55 0.00 -1.16 0.00 0.00 179.01 177.12 3h1l n ALA 110 N -2.03 3.59 -3.01 3.43 0.00 -0.90 -3.91 120.51 117.67 3h1l n ALA 110 Ca -0.03 -0.41 -0.35 0.00 0.00 0.00 0.00 53.44 52.66 3h1l n ALA 110 Cb 0.14 -0.49 -0.02 0.00 0.00 0.00 0.00 19.45 19.08 3h1l n ALA 110 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h1l n GLU 111 N -1.05 3.94 -3.77 0.00 1.02 0.12 -4.98 120.64 115.93 3h1l n GLU 111 Ca 0.03 -4.69 -0.13 0.00 -0.02 0.00 0.00 57.16 52.36 3h1l n GLU 111 Cb 0.23 -2.38 -0.08 0.00 -0.02 0.00 0.00 31.44 29.19 3h1l n GLU 111 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h1l s VAL 112 N -3.46 0.07 -0.79 2.62 1.01 -1.26 -4.88 120.40 113.71 3h1l s VAL 112 Ca 0.39 -0.54 -0.26 0.00 0.00 0.00 0.00 61.98 61.57 3h1l s VAL 112 Cb 0.16 -0.67 -0.14 0.00 0.00 0.00 0.00 36.38 35.73 3h1l s VAL 112 CO -0.03 -0.30 2.42 0.47 0.00 0.00 0.00 175.10 177.65 3h1l n ASP 113 N 1.14 1.79 0.00 3.32 8.00 -1.26 -4.75 116.55 124.79 3h1l n ASP 113 Ca -0.21 -1.50 0.00 0.00 0.71 0.00 0.00 54.79 53.79 3h1l n ASP 113 Cb 0.57 -1.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.00 3h1l n ASP 113 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3h1l n VAL 114 N 8.80 0.95 0.51 2.53 0.31 -1.26 -0.19 118.33 129.98 3h1l n VAL 114 Ca 0.47 0.25 0.11 0.00 -0.01 0.00 0.00 64.34 65.16 3h1l n VAL 114 Cb 0.43 -1.25 -0.14 0.00 -0.91 0.00 0.00 33.84 31.96 3h1l n VAL 114 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3h1l n SER 115 N -1.22 0.52 -1.94 4.52 3.41 -1.26 -4.29 113.62 113.36 3h1l n SER 115 Ca 0.00 -0.51 -0.19 0.00 -0.26 0.00 0.00 58.87 57.91 3h1l n SER 115 Cb 0.02 1.47 0.18 0.00 -0.26 0.00 0.00 64.21 65.61 3h1l n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h1l n LYS 116 N -1.87 2.17 -4.27 4.33 5.02 0.73 -4.97 118.16 119.31 3h1l n LYS 116 Ca 0.00 -3.09 -0.33 0.00 -2.02 0.00 0.00 58.31 52.88 3h1l n LYS 116 Cb 0.45 -2.09 -0.09 0.00 -0.02 0.00 0.00 35.03 33.28 3h1l n LYS 116 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h1l s LEU 117 N -3.32 3.54 0.09 -0.35 1.43 -1.25 -5.01 118.68 113.82 3h1l s LEU 117 Ca 0.54 0.00 -0.26 0.00 -1.03 0.00 0.00 54.13 53.39 3h1l s LEU 117 Cb 0.46 -2.03 -0.14 0.00 0.03 0.00 0.00 46.19 44.51 3h1l s LEU 117 CO 0.07 0.28 1.69 -0.09 0.23 0.00 0.00 176.35 178.54 3h1l h ARG 118 N 4.33 -0.28 -4.67 1.70 2.43 -1.92 -3.32 114.38 112.65 3h1l h ARG 118 Ca -0.49 0.02 -0.68 0.00 -0.81 0.00 0.00 59.98 58.02 3h1l h ARG 118 Cb 1.18 0.06 -0.35 0.00 -0.42 0.00 0.00 29.97 30.44 3h1l h ARG 118 CO 0.58 -0.18 -0.66 0.34 -1.51 0.00 0.00 179.97 178.53 3h1l s ASP 119 N -4.95 4.98 -0.45 -3.80 2.15 -1.26 -5.05 116.67 108.29 3h1l s ASP 119 Ca -0.15 -1.65 -0.28 0.00 0.43 0.00 0.00 52.55 50.90 3h1l s ASP 119 Cb 0.06 -1.73 0.01 0.00 -0.30 0.00 0.00 42.92 40.96 3h1l s ASP 119 CO 0.65 -0.37 1.44 -2.16 -0.17 0.00 0.00 175.17 174.57 3h1l s PRO 120 N 1.16 3.48 -0.07 4.34 0.04 -1.25 -4.87 135.00 137.82 3h1l s PRO 120 Ca 0.01 0.84 -0.17 0.00 0.04 0.00 0.00 61.00 61.73 3h1l s PRO 120 Cb -0.21 -4.06 0.04 0.00 0.04 0.00 0.00 34.50 30.30 3h1l s PRO 120 CO -0.03 -1.69 0.39 -0.65 0.04 0.00 0.00 177.00 175.06 3h1l s GLN 121 N 5.15 0.64 -0.18 4.56 -0.21 -1.26 -5.08 119.66 123.28 3h1l s GLN 121 Ca 0.60 0.16 -0.09 0.00 0.02 0.00 0.00 55.36 56.05 3h1l s GLN 121 Cb -0.13 0.30 -0.05 0.00 1.00 0.00 0.00 33.01 34.13 3h1l s GLN 121 CO 0.31 -0.15 0.14 -1.58 -2.12 0.00 0.00 175.29 171.89 3h1l s HIS 122 N -0.71 3.46 0.61 0.91 5.65 -1.26 -4.92 115.29 119.03 3h1l s HIS 122 Ca -0.08 0.39 0.13 0.00 0.25 0.00 0.00 55.06 55.75 3h1l s HIS 122 Cb -0.04 -2.12 0.43 0.00 -1.18 0.00 0.00 32.58 29.68 3h1l s HIS 122 CO 0.03 0.40 1.10 -3.47 -0.65 0.00 0.00 174.74 172.15 3h1l n ASP 123 N 3.15 0.00 0.01 9.88 2.03 -1.25 -0.85 116.55 129.51 3h1l n ASP 123 Ca -0.17 0.60 -0.18 0.00 0.52 0.00 0.00 54.79 55.56 3h1l n ASP 123 Cb 0.53 -0.12 -0.10 0.00 -0.72 0.00 0.00 41.12 40.70 3h1l n ASP 123 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3h1l h LEU 124 N 0.00 0.69 -2.86 -2.67 3.38 -1.89 -3.25 115.31 108.71 3h1l h LEU 124 Ca 0.23 -0.73 -0.09 0.00 0.09 0.00 0.00 57.88 57.38 3h1l h LEU 124 Cb 2.36 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 42.85 3h1l h LEU 124 CO -0.00 1.32 0.12 -0.90 0.09 0.00 0.00 178.44 179.06 3h1l n ASP 125 N -4.09 3.96 -0.04 -0.43 5.68 -0.03 -3.67 116.55 117.93 3h1l n ASP 125 Ca -0.10 -2.73 -0.04 0.00 -0.50 0.00 0.00 54.79 51.41 3h1l n ASP 125 Cb 0.73 -0.65 -0.07 0.00 -1.14 0.00 0.00 41.12 39.99 3h1l n ASP 125 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3h1l n ARG 126 N 0.15 2.60 -4.33 0.11 1.74 -1.23 -4.97 116.66 110.73 3h1l n ARG 126 Ca 0.24 -0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 57.14 3h1l n ARG 126 Cb 0.99 -1.22 -0.10 0.00 -1.02 0.00 0.00 32.46 31.11 3h1l n ARG 126 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3h1l s VAL 127 N -2.21 1.18 -0.04 1.55 -7.23 -1.23 -4.90 120.40 107.52 3h1l s VAL 127 Ca -0.04 -2.06 -0.04 0.00 -1.81 0.00 0.00 61.98 58.03 3h1l s VAL 127 Cb 0.03 -2.25 -0.01 0.00 0.56 0.00 0.00 36.38 34.70 3h1l s VAL 127 CO 0.35 -0.41 -0.07 0.29 -0.31 0.00 0.00 175.10 174.94 3h1l n LYS 128 N -0.40 0.12 -2.95 4.82 5.02 -1.26 -4.78 118.16 118.72 3h1l n LYS 128 Ca -0.06 0.08 -0.42 0.00 -2.02 0.00 0.00 58.31 55.89 3h1l n LYS 128 Cb 0.63 -0.74 -0.05 0.00 -0.02 0.00 0.00 35.03 34.85 3h1l n LYS 128 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3h1l s LYS 129 N -1.41 3.77 0.00 1.97 1.02 -1.26 -4.92 119.74 118.91 3h1l s LYS 129 Ca -0.06 0.34 0.00 0.00 0.02 0.00 0.00 55.97 56.27 3h1l s LYS 129 Cb 0.01 -3.80 0.00 0.00 -0.52 0.00 0.00 37.83 33.51 3h1l s LYS 129 CO 0.09 -0.84 0.44 -2.30 -0.92 0.00 0.00 175.35 171.81 3h1l n PRO 130 N 6.42 0.00 -0.00 -1.68 -0.02 -1.26 -0.04 135.00 138.42 3h1l n PRO 130 Ca 0.03 0.09 0.06 0.00 -2.02 0.00 0.00 63.50 61.66 3h1l n PRO 130 Cb 0.48 -1.67 -0.07 0.00 -0.02 0.00 0.00 33.50 32.22 3h1l n PRO 130 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3h1l n GLU 131 N -0.94 2.73 -3.97 -0.52 0.00 -1.26 -4.79 120.64 111.89 3h1l n GLU 131 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 57.16 56.84 3h1l n GLU 131 Cb 0.17 -1.10 -0.15 0.00 0.00 0.00 0.00 31.44 30.36 3h1l n GLU 131 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 3h1l s TRP 132 N -2.22 2.72 -0.25 -1.84 0.52 0.95 0.10 118.94 118.92 3h1l s TRP 132 Ca 0.04 -2.03 -0.07 0.00 0.02 0.00 0.00 56.10 54.06 3h1l s TRP 132 Cb 0.09 -1.81 -0.03 0.00 -1.15 0.00 0.00 33.47 30.57 3h1l s TRP 132 CO 0.51 -0.82 0.07 0.54 0.02 0.00 0.00 176.95 177.26 3h1l s VAL 133 N 1.28 4.29 -0.11 4.03 0.11 -0.39 -4.50 120.40 125.11 3h1l s VAL 133 Ca -0.04 -0.18 0.01 0.00 -2.93 0.00 0.00 61.98 58.84 3h1l s VAL 133 Cb -0.19 -3.01 -0.02 0.00 -1.53 0.00 0.00 36.38 31.64 3h1l s VAL 133 CO -0.07 0.34 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.26 3h1l s ILE 134 N 1.60 2.93 0.12 7.04 1.01 -1.26 -0.85 121.20 131.79 3h1l s ILE 134 Ca 0.06 -0.72 -0.21 0.00 0.00 0.00 0.00 60.65 59.78 3h1l s ILE 134 Cb -0.15 -2.20 0.06 0.00 0.01 0.00 0.00 42.46 40.18 3h1l s ILE 134 CO 0.03 0.54 0.52 -1.48 0.00 0.00 0.00 174.94 174.56 3h1l s LEU 135 N 0.12 -0.17 -0.53 2.97 0.05 -0.77 -4.31 118.68 116.04 3h1l s LEU 135 Ca -0.07 -0.06 -0.28 0.00 0.05 0.00 0.00 54.13 53.77 3h1l s LEU 135 Cb -0.15 2.27 0.03 0.00 -2.05 0.00 0.00 46.19 46.29 3h1l s LEU 135 CO 0.05 -0.88 1.11 -0.69 -0.55 0.00 0.00 176.35 175.39 3h1l s VAL 136 N -3.49 4.18 -0.34 1.48 1.01 -0.27 0.13 120.40 123.09 3h1l s VAL 136 Ca 0.00 0.93 -0.10 0.00 0.00 0.00 0.00 61.98 62.81 3h1l s VAL 136 Cb 0.00 -4.63 -0.10 0.00 0.00 0.00 0.00 36.38 31.65 3h1l s VAL 136 CO -0.10 -1.14 1.52 0.61 0.00 0.00 0.00 175.10 175.99 3h1l n GLY 137 N 4.98 1.96 2.71 4.51 0.00 -1.19 -4.32 105.19 113.84 3h1l n GLY 137 Ca 0.09 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 3h1l n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1l s VAL 138 N 4.93 0.22 0.35 1.61 1.01 -1.26 -4.43 120.40 122.83 3h1l s VAL 138 Ca 0.30 -0.03 -0.27 0.00 0.00 0.00 0.00 61.98 61.98 3h1l s VAL 138 Cb 0.07 -0.58 -0.12 0.00 0.00 0.00 0.00 36.38 35.75 3h1l s VAL 138 CO 0.07 0.03 1.18 0.00 0.00 0.00 0.00 175.10 176.37 3h1l n THR 140 N 0.12 0.00 0.00 0.00 -2.24 -1.26 -2.77 114.28 108.13 3h1l n THR 140 Ca 0.07 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3h1l n THR 140 Cb 0.36 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 3h1l n THR 140 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3h1l n HIS 141 N -1.46 0.00 -2.46 4.78 -0.00 -1.26 -4.57 115.22 110.25 3h1l n HIS 141 Ca 0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.76 3h1l n HIS 141 Cb 0.33 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.37 3h1l n HIS 141 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3h1l n LEU 142 N -0.38 2.27 -0.74 0.27 4.77 -1.26 -4.97 117.00 116.96 3h1l n LEU 142 Ca 0.00 -3.25 -0.10 0.00 -0.03 0.00 0.00 56.01 52.64 3h1l n LEU 142 Cb 0.00 0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 3h1l n LEU 142 CO 0.00 1.18 -0.09 0.61 -1.33 0.00 0.00 177.39 177.76 3h1l n GLY 143 N -0.43 1.11 3.91 -0.72 0.00 -1.11 -5.02 105.19 102.92 3h1l n GLY 143 Ca 0.16 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 3h1l n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1l s VAL 145 N -3.28 4.92 0.24 0.00 1.01 -1.26 -0.91 120.40 121.11 3h1l s VAL 145 Ca 0.58 -0.05 -0.31 0.00 0.00 0.00 0.00 61.98 62.20 3h1l s VAL 145 Cb -0.11 -4.15 -0.14 0.00 0.00 0.00 0.00 36.38 31.98 3h1l s VAL 145 CO 0.48 -0.54 1.25 -2.65 0.00 0.00 0.00 175.10 173.64 3h1l n PRO 146 N 6.03 1.65 -2.78 2.72 -0.02 -1.26 -4.76 135.00 136.58 3h1l n PRO 146 Ca -0.04 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.62 3h1l n PRO 146 Cb 0.48 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.78 3h1l n PRO 146 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h1l s ILE 147 N -0.39 4.70 0.25 4.25 1.01 0.37 -4.74 121.20 126.65 3h1l s ILE 147 Ca 0.67 1.96 -0.30 0.00 0.00 0.00 0.00 60.65 62.98 3h1l s ILE 147 Cb -0.71 -4.27 -0.09 0.00 0.01 0.00 0.00 42.46 37.40 3h1l s ILE 147 CO 0.54 0.26 0.98 0.00 0.00 0.00 0.00 174.94 176.72 3h1l s ALA 148 N 0.40 3.36 -0.52 9.38 0.00 -1.26 -1.09 121.76 132.02 3h1l s ALA 148 Ca 0.47 0.69 -0.07 0.00 0.00 0.00 0.00 51.96 53.05 3h1l s ALA 148 Cb -0.22 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.67 3h1l s ALA 148 CO 0.27 0.11 0.58 0.09 0.00 0.00 0.00 175.76 176.82 3h1l n ASN 149 N 1.40 -7.26 -3.89 0.00 3.02 -0.50 -4.97 115.26 103.07 3h1l n ASN 149 Ca -0.02 0.21 0.04 0.00 -0.03 0.00 0.00 54.58 54.78 3h1l n ASN 149 Cb 0.46 -4.90 0.01 0.00 -0.61 0.00 0.00 39.78 34.75 3h1l n ASN 149 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3h1l s SER 150 N -2.67 -0.00 0.00 6.41 1.04 -1.25 -5.02 113.70 112.21 3h1l s SER 150 Ca 0.11 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.50 3h1l s SER 150 Cb -0.03 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.12 3h1l s SER 150 CO 0.68 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.44 3h1l n GLY 151 N -0.86 -0.90 1.61 7.32 0.00 -1.26 -3.56 105.19 107.53 3h1l n GLY 151 Ca 0.02 -1.66 -0.03 0.00 0.00 0.00 0.00 46.02 44.35 3h1l n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h1l n ASP 152 N -1.69 4.00 -1.11 1.61 8.00 -1.26 -3.91 116.55 122.18 3h1l n ASP 152 Ca 0.00 -2.82 0.03 0.00 0.71 0.00 0.00 54.79 52.72 3h1l n ASP 152 Cb 0.00 -0.67 0.03 0.00 -0.02 0.00 0.00 41.12 40.46 3h1l n ASP 152 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3h1l n PHE 153 N 0.03 0.00 -4.46 1.24 3.01 -1.26 -5.01 117.46 111.01 3h1l n PHE 153 Ca 0.27 -0.46 -0.40 0.00 1.01 0.00 0.00 57.45 57.88 3h1l n PHE 153 Cb 1.06 -0.13 -0.08 0.00 -0.01 0.00 0.00 39.48 40.32 3h1l n PHE 153 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3h1l n GLY 154 N 0.17 -0.34 0.00 1.37 0.00 -1.25 -3.82 105.19 101.32 3h1l n GLY 154 Ca 0.06 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3h1l n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1l n GLY 155 N -1.34 0.77 3.14 -0.02 0.00 -1.19 -3.90 105.19 102.65 3h1l n GLY 155 Ca 0.03 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 3h1l n GLY 155 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h1l s TYR 156 N 0.25 0.76 -0.07 1.61 1.51 0.26 -1.41 117.35 120.25 3h1l s TYR 156 Ca 0.00 -0.98 -0.03 0.00 -1.01 0.00 0.00 57.07 55.05 3h1l s TYR 156 Cb 0.00 -0.47 0.04 0.00 -0.11 0.00 0.00 41.96 41.42 3h1l s TYR 156 CO 0.00 -0.24 0.15 -0.47 -1.11 0.00 0.00 175.55 173.87 3h1l s TYR 157 N -3.74 -0.16 -0.48 2.71 5.04 -0.25 -0.39 117.35 120.09 3h1l s TYR 157 Ca 0.10 0.54 -0.21 0.00 -2.44 0.00 0.00 57.07 55.07 3h1l s TYR 157 Cb 0.06 -0.21 0.04 0.00 0.35 0.00 0.00 41.96 42.20 3h1l s TYR 157 CO -0.06 -0.23 0.69 0.00 -1.34 0.00 0.00 175.55 174.61 3h1l n PRO 159 N 6.45 0.00 0.20 0.00 -0.04 -1.26 -1.68 135.00 138.66 3h1l n PRO 159 Ca -0.02 0.41 -0.09 0.00 -0.04 0.00 0.00 63.50 63.75 3h1l n PRO 159 Cb 0.47 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 3h1l n PRO 159 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1l n HIS 161 N -5.16 0.00 -2.40 0.00 8.25 -1.23 -5.05 115.22 109.64 3h1l n HIS 161 Ca -0.07 -0.59 -0.07 0.00 -0.26 0.00 0.00 57.72 56.72 3h1l n HIS 161 Cb 0.24 -0.10 0.04 0.00 1.12 0.00 0.00 29.99 31.28 3h1l n HIS 161 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h1l n GLY 162 N -0.83 -0.05 3.79 -1.41 0.00 -0.68 -4.58 105.19 101.43 3h1l n GLY 162 Ca 0.09 0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3h1l n GLY 162 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h1l s SER 163 N -3.27 5.85 -0.18 1.61 0.01 -1.21 -4.18 113.70 112.33 3h1l s SER 163 Ca 0.18 0.29 -0.02 0.00 1.31 0.00 0.00 55.95 57.71 3h1l s SER 163 Cb -0.02 -1.77 -0.01 0.00 0.21 0.00 0.00 66.02 64.43 3h1l s SER 163 CO 0.35 0.36 -0.10 -1.00 0.41 0.00 0.00 173.24 173.26 3h1l s HIS 164 N -1.03 2.88 0.08 2.43 0.09 0.17 -1.53 115.29 118.39 3h1l s HIS 164 Ca 0.17 -0.97 0.08 0.00 -0.00 0.00 0.00 55.06 54.34 3h1l s HIS 164 Cb -0.12 -1.99 -0.04 0.00 -0.00 0.00 0.00 32.58 30.44 3h1l s HIS 164 CO 0.06 -0.49 -0.20 0.71 -0.00 0.00 0.00 174.74 174.83 3h1l s TYR 165 N 1.08 2.50 0.80 1.40 1.51 0.48 -1.02 117.35 124.10 3h1l s TYR 165 Ca 0.00 -0.29 -0.05 0.00 -1.01 0.00 0.00 57.07 55.72 3h1l s TYR 165 Cb -0.15 -1.39 0.17 0.00 -0.11 0.00 0.00 41.96 40.49 3h1l s TYR 165 CO -0.02 0.31 1.09 -0.40 -1.11 0.00 0.00 175.55 175.41 3h1l n ASP 166 N 1.19 0.96 0.00 2.29 5.68 -0.81 0.90 116.55 126.77 3h1l n ASP 166 Ca -0.16 -1.93 0.03 0.00 -0.50 0.00 0.00 54.79 52.23 3h1l n ASP 166 Cb 0.52 -0.75 0.18 0.00 -1.14 0.00 0.00 41.12 39.93 3h1l n ASP 166 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3h1l n ALA 167 N -3.19 1.63 0.76 2.12 0.00 -1.25 -0.12 120.51 120.46 3h1l n ALA 167 Ca -0.18 -0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.31 3h1l n ALA 167 Cb 0.58 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.87 3h1l n ALA 167 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h1l n SER 168 N -1.11 1.13 0.00 0.00 2.88 -1.26 -4.93 113.62 110.33 3h1l n SER 168 Ca 0.04 -1.07 0.00 0.00 -1.33 0.00 0.00 58.87 56.51 3h1l n SER 168 Cb 0.03 0.79 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 3h1l n SER 168 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h1l n GLY 169 N 1.31 0.43 3.87 0.46 0.00 0.83 -4.92 105.19 107.17 3h1l n GLY 169 Ca 0.05 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.75 3h1l n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h1l s ARG 170 N -2.37 3.79 -0.18 1.61 0.52 -1.26 -0.31 118.95 120.75 3h1l s ARG 170 Ca 0.00 0.22 -0.29 0.00 -0.52 0.00 0.00 55.73 55.13 3h1l s ARG 170 Cb 0.00 -2.87 -0.00 0.00 0.52 0.00 0.00 34.95 32.60 3h1l s ARG 170 CO 0.00 0.47 1.06 -1.50 0.02 0.00 0.00 175.30 175.35 3h1l s ILE 171 N -1.56 4.64 -0.05 1.52 1.10 -1.26 -1.91 121.20 123.68 3h1l s ILE 171 Ca 0.39 1.96 0.03 0.00 -0.51 0.00 0.00 60.65 62.52 3h1l s ILE 171 Cb -0.13 -4.26 -0.05 0.00 0.15 0.00 0.00 42.46 38.17 3h1l s ILE 171 CO 0.20 -0.12 -0.00 0.54 -2.11 0.00 0.00 174.94 173.45 3h1l n ARG 172 N 5.95 2.39 -3.68 3.50 5.12 -0.19 -4.28 116.66 125.47 3h1l n ARG 172 Ca 0.11 0.01 -0.15 0.00 -1.93 0.00 0.00 57.85 55.90 3h1l n ARG 172 Cb 0.47 -1.12 -0.08 0.00 -1.16 0.00 0.00 32.46 30.57 3h1l n ARG 172 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3h1l s LYS 173 N -2.11 0.74 0.00 5.56 2.20 -1.15 -4.97 119.74 120.01 3h1l s LYS 173 Ca -0.04 0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.72 3h1l s LYS 173 Cb 0.02 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.68 3h1l s LYS 173 CO 0.17 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 3h1l n GLY 174 N 1.59 -0.54 0.05 5.54 0.00 -1.26 0.46 105.19 111.03 3h1l n GLY 174 Ca -0.19 -2.23 0.13 0.00 0.00 0.00 0.00 46.02 43.73 3h1l n GLY 174 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h1l n PRO 175 N -0.11 0.17 -1.65 1.61 -0.04 -1.26 -4.94 135.00 128.78 3h1l n PRO 175 Ca 0.00 0.09 -0.44 0.00 -0.04 0.00 0.00 63.50 63.11 3h1l n PRO 175 Cb 0.00 -1.65 -0.02 0.00 -0.04 0.00 0.00 33.50 31.79 3h1l n PRO 175 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1l n ALA 176 N -1.69 0.57 -0.02 0.55 0.00 -1.26 -4.89 120.51 113.78 3h1l n ALA 176 Ca 0.05 0.39 -0.20 0.00 0.00 0.00 0.00 53.44 53.69 3h1l n ALA 176 Cb 0.40 -2.17 -0.13 0.00 0.00 0.00 0.00 19.45 17.55 3h1l n ALA 176 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3h1l h PRO 177 N 2.93 0.16 -5.45 0.00 0.13 -1.92 -3.48 132.00 124.37 3h1l h PRO 177 Ca -0.44 -0.28 -0.62 0.00 -0.87 0.00 0.00 66.00 63.80 3h1l h PRO 177 Cb 1.30 0.10 -0.13 0.00 0.13 0.00 0.00 31.00 32.41 3h1l h PRO 177 CO 0.66 1.13 -0.58 0.71 -0.23 0.00 0.00 178.00 179.70 3h1l s TYR 178 N -2.39 2.24 0.42 1.56 2.02 -1.26 -4.56 117.35 115.37 3h1l s TYR 178 Ca -0.20 -0.82 -0.22 0.00 -0.37 0.00 0.00 57.07 55.47 3h1l s TYR 178 Cb 0.02 -1.63 -0.10 0.00 -0.40 0.00 0.00 41.96 39.85 3h1l s TYR 178 CO 0.73 0.29 0.97 -0.80 -1.57 0.00 0.00 175.55 175.17 3h1l s ASN 179 N -3.71 6.91 0.33 2.29 0.01 -1.26 -4.48 114.94 115.02 3h1l s ASN 179 Ca 0.27 1.78 -0.25 0.00 -0.71 0.00 0.00 52.86 53.94 3h1l s ASN 179 Cb 0.07 -2.55 -0.14 0.00 0.41 0.00 0.00 41.25 39.04 3h1l s ASN 179 CO 0.14 -0.38 0.69 0.18 -1.51 0.00 0.00 177.10 176.22 3h1l n LEU 180 N -0.43 0.26 -4.76 0.60 4.77 0.57 -4.85 117.00 113.16 3h1l n LEU 180 Ca 0.06 1.05 -0.41 0.00 -0.03 0.00 0.00 56.01 56.69 3h1l n LEU 180 Cb 0.53 -1.13 -0.03 0.00 -2.33 0.00 0.00 43.42 40.46 3h1l n LEU 180 CO 0.39 -2.43 0.90 -0.70 -1.33 0.00 0.00 177.39 174.22 3h1l s GLU 181 N -1.43 4.48 -0.34 3.23 2.12 -1.26 -4.89 118.70 120.61 3h1l s GLU 181 Ca 0.62 2.04 -0.09 0.00 0.36 0.00 0.00 54.97 57.90 3h1l s GLU 181 Cb -0.71 -3.12 0.02 0.00 0.26 0.00 0.00 34.13 30.57 3h1l s GLU 181 CO 0.58 -0.02 0.15 0.08 -0.54 0.00 0.00 175.26 175.52 3h1l s VAL 182 N -1.13 4.35 1.04 3.70 1.01 -1.26 -1.12 120.40 126.99 3h1l s VAL 182 Ca 0.47 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 3h1l s VAL 182 Cb -0.36 -3.34 0.21 0.00 0.00 0.00 0.00 36.38 32.89 3h1l s VAL 182 CO 0.48 -0.09 1.07 -2.16 0.00 0.00 0.00 175.10 174.40 3h1l s PRO 183 N 1.54 0.08 -0.42 2.72 0.04 -1.26 -5.00 135.00 132.70 3h1l s PRO 183 Ca 0.02 0.87 -0.19 0.00 0.04 0.00 0.00 61.00 61.75 3h1l s PRO 183 Cb -0.18 -1.67 0.02 0.00 0.04 0.00 0.00 34.50 32.71 3h1l s PRO 183 CO 0.05 -3.06 0.52 0.99 0.04 0.00 0.00 177.00 175.54 3h1l s THR 184 N -2.69 4.99 0.00 1.26 2.01 -1.26 -4.99 115.64 114.96 3h1l s THR 184 Ca 0.66 -0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.58 3h1l s THR 184 Cb -0.22 -4.08 0.00 0.00 0.01 0.00 0.00 72.50 68.21 3h1l s THR 184 CO 0.61 -0.45 0.00 0.00 -0.69 0.00 0.00 174.62 174.09 3h1l n TYR 185 N 5.85 0.00 -3.65 4.92 0.18 -1.26 -1.39 117.16 121.82 3h1l n TYR 185 Ca -0.05 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.70 3h1l n TYR 185 Cb 0.48 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.37 3h1l n TYR 185 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 3h1l s GLN 186 N 0.49 0.23 -1.26 -3.48 0.74 -0.56 -4.96 119.66 110.87 3h1l s GLN 186 Ca 0.00 0.34 -0.06 0.00 0.05 0.00 0.00 55.36 55.69 3h1l s GLN 186 Cb 0.00 0.08 0.17 0.00 1.10 0.00 0.00 33.01 34.36 3h1l s GLN 186 CO 0.00 -0.04 2.15 1.19 -0.55 0.00 0.00 175.29 178.05 3h1l n PHE 187 N 2.62 2.66 0.44 1.67 3.72 -1.26 -0.96 117.46 126.36 3h1l n PHE 187 Ca -0.15 -2.77 0.00 0.00 -0.05 0.00 0.00 57.45 54.49 3h1l n PHE 187 Cb 0.57 -1.74 0.00 0.00 -0.94 0.00 0.00 39.48 37.36 3h1l n PHE 187 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3h1l n VAL 188 N 1.82 0.45 -3.72 -4.37 0.24 -1.25 -4.76 118.33 106.73 3h1l n VAL 188 Ca 0.53 -0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.75 3h1l n VAL 188 Cb 0.28 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 3h1l n VAL 188 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h1l n GLY 189 N 0.79 1.67 0.10 7.63 0.00 -1.02 -4.97 105.19 109.38 3h1l n GLY 189 Ca 0.00 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 3h1l n GLY 189 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h1l n ASP 190 N -1.53 1.32 -2.70 1.61 5.75 -1.26 -4.53 116.55 115.22 3h1l n ASP 190 Ca -0.04 0.34 -0.08 0.00 -0.01 0.00 0.00 54.79 55.00 3h1l n ASP 190 Cb 0.44 -0.35 0.07 0.00 -1.03 0.00 0.00 41.12 40.26 3h1l n ASP 190 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3h1l n ASP 191 N -3.20 -0.37 -3.34 -1.12 5.75 -1.26 -5.00 116.55 108.02 3h1l n ASP 191 Ca -0.22 -2.63 0.02 0.00 -0.01 0.00 0.00 54.79 51.95 3h1l n ASP 191 Cb 1.05 0.32 -0.02 0.00 -1.03 0.00 0.00 41.12 41.44 3h1l n ASP 191 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3h1l s LEU 192 N -3.11 -1.30 0.20 -2.12 2.96 -1.26 -1.16 118.68 112.89 3h1l s LEU 192 Ca 0.25 1.14 0.08 0.00 -0.22 0.00 0.00 54.13 55.38 3h1l s LEU 192 Cb 0.42 2.22 -0.04 0.00 0.50 0.00 0.00 46.19 49.29 3h1l s LEU 192 CO -0.03 -0.24 -0.00 0.54 -1.32 0.00 0.00 176.35 175.29 3h1l s VAL 193 N 2.87 3.62 -0.21 1.68 0.11 0.58 -2.43 120.40 126.63 3h1l s VAL 193 Ca 0.11 -1.57 0.00 0.00 -2.93 0.00 0.00 61.98 57.59 3h1l s VAL 193 Cb -0.14 -2.85 0.05 0.00 -1.53 0.00 0.00 36.38 31.91 3h1l s VAL 193 CO -0.20 -0.18 -0.05 -0.69 -3.33 0.00 0.00 175.10 170.64 3h1l s VAL 194 N -1.89 1.35 0.18 2.04 1.01 -0.13 -0.39 120.40 122.56 3h1l s VAL 194 Ca 0.28 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 3h1l s VAL 194 Cb -0.08 -1.57 -0.06 0.00 0.00 0.00 0.00 36.38 34.67 3h1l s VAL 194 CO 0.19 0.00 0.42 -0.69 0.00 0.00 0.00 175.10 175.02 3h1l s VAL 195 N 1.50 5.12 0.00 2.92 1.01 -0.61 -1.49 120.40 128.84 3h1l s VAL 195 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.02 3h1l s VAL 195 Cb -0.17 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.57 3h1l s VAL 195 CO -0.07 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.61