#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1j n HIS 2 N 0.00 0.00 0.13 6.34 -0.00 -1.26 -1.51 115.22 118.92 3h1j n HIS 2 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.76 3h1j n HIS 2 Cb 0.00 -0.11 0.02 0.00 -0.00 0.00 0.00 29.99 29.90 3h1j n HIS 2 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.34 175.43 3h1j h ASN 3 N 0.00 0.00 -0.21 4.39 2.35 -2.12 -3.23 115.58 116.76 3h1j h ASN 3 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h1j h ASN 3 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3h1j h ASN 3 CO 0.00 0.43 0.00 0.47 -1.65 0.00 0.00 177.43 176.68 3h1j n ASP 4 N -3.11 2.22 -4.51 5.81 10.43 -0.57 -4.81 116.55 122.01 3h1j n ASP 4 Ca -0.00 -2.22 -0.34 0.00 2.57 0.00 0.00 54.79 54.80 3h1j n ASP 4 Cb 0.72 -0.44 -0.12 0.00 1.84 0.00 0.00 41.12 43.12 3h1j n ASP 4 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3h1j s VAL 5 N -1.62 4.02 0.10 2.53 1.01 -1.22 -5.02 120.40 120.20 3h1j s VAL 5 Ca 0.18 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 61.93 3h1j s VAL 5 Cb 0.12 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 3h1j s VAL 5 CO 0.07 0.48 -0.20 -0.89 0.00 0.00 0.00 175.10 174.56 3h1j s THR 6 N 0.44 1.65 0.01 3.92 2.01 -1.26 -5.09 115.64 117.32 3h1j s THR 6 Ca -0.02 -1.53 -0.28 0.00 0.31 0.00 0.00 61.69 60.16 3h1j s THR 6 Cb -0.14 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 3h1j s THR 6 CO 0.02 -0.09 0.91 -0.69 -0.69 0.00 0.00 174.62 174.09 3h1j s VAL 7 N -1.21 4.85 1.28 3.82 1.01 -1.26 -5.02 120.40 123.87 3h1j s VAL 7 Ca 0.06 1.92 -0.21 0.00 0.00 0.00 0.00 61.98 63.74 3h1j s VAL 7 Cb -0.10 -4.25 0.33 0.00 0.00 0.00 0.00 36.38 32.35 3h1j s VAL 7 CO 0.04 0.21 0.74 -2.65 0.00 0.00 0.00 175.10 173.44 3h1j n PRO 8 N 3.65 -4.26 -3.39 2.72 -0.02 -1.26 -4.97 135.00 127.47 3h1j n PRO 8 Ca 0.04 -1.24 -0.38 0.00 -2.02 0.00 0.00 63.50 59.90 3h1j n PRO 8 Cb 0.51 -1.67 -0.06 0.00 -0.02 0.00 0.00 33.50 32.26 3h1j n PRO 8 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3h1j s ASP 9 N -2.87 6.76 -0.26 2.55 -1.08 -1.26 -4.99 116.67 115.51 3h1j s ASP 9 Ca 0.57 0.90 0.09 0.00 -0.52 0.00 0.00 52.55 53.59 3h1j s ASP 9 Cb -0.10 -2.28 0.45 0.00 -1.46 0.00 0.00 42.92 39.53 3h1j s ASP 9 CO 0.48 0.15 1.20 0.49 0.52 0.00 0.00 175.17 178.01 3h1j n PHE 10 N 2.78 1.87 0.09 -5.34 3.01 -1.26 -4.76 117.46 113.85 3h1j n PHE 10 Ca -0.10 -1.98 -0.06 0.00 1.01 0.00 0.00 57.45 56.32 3h1j n PHE 10 Cb 0.52 -0.31 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 3h1j n PHE 10 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3h1j h SER 11 N 1.84 0.06 0.26 4.37 0.02 -1.94 0.31 113.55 118.47 3h1j h SER 11 Ca 0.24 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3h1j h SER 11 Cb 1.38 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.90 3h1j h SER 11 CO 0.51 0.88 0.00 0.00 -1.14 0.00 0.00 176.83 177.08 3h1j h ALA 12 N 1.12 1.00 0.00 3.77 0.00 -2.03 -3.18 119.26 119.93 3h1j h ALA 12 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3h1j h ALA 12 Cb 1.49 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 3h1j h ALA 12 CO 0.11 0.00 -1.10 0.66 0.00 0.00 0.00 179.25 178.92 3h1j n TYR 13 N -2.76 0.00 -1.52 0.00 4.01 -1.10 -5.07 117.16 110.72 3h1j n TYR 13 Ca -0.01 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.34 3h1j n TYR 13 Cb 0.12 -0.07 0.03 0.00 -0.31 0.00 0.00 39.34 39.11 3h1j n TYR 13 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3h1j n ARG 14 N -2.03 0.75 -2.57 -0.72 1.74 0.11 -4.92 116.66 109.01 3h1j n ARG 14 Ca -0.02 0.28 -0.41 0.00 -0.77 0.00 0.00 57.85 56.93 3h1j n ARG 14 Cb 0.52 -1.83 -0.04 0.00 -1.02 0.00 0.00 32.46 30.09 3h1j n ARG 14 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3h1j s ARG 15 N -2.14 4.63 0.46 5.56 0.52 -1.26 -4.90 118.95 121.81 3h1j s ARG 15 Ca 0.69 1.65 0.37 0.00 -0.52 0.00 0.00 55.73 57.91 3h1j s ARG 15 Cb -0.48 -3.30 1.51 0.00 0.52 0.00 0.00 34.95 33.19 3h1j s ARG 15 CO 0.54 0.12 1.49 -1.91 0.02 0.00 0.00 175.30 175.56 3h1j n GLU 16 N 2.44 -0.02 -0.00 3.54 2.13 -1.26 -0.04 120.64 127.43 3h1j n GLU 16 Ca 0.02 1.14 0.16 0.00 0.66 0.00 0.00 57.16 59.14 3h1j n GLU 16 Cb 0.47 -2.37 0.86 0.00 0.27 0.00 0.00 31.44 30.67 3h1j n GLU 16 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3h1j n ASP 17 N -4.34 0.32 -1.86 4.31 8.00 -1.26 -3.53 116.55 118.19 3h1j n ASP 17 Ca 0.40 -1.11 0.01 0.00 0.71 0.00 0.00 54.79 54.80 3h1j n ASP 17 Cb 1.65 -0.00 0.05 0.00 -0.02 0.00 0.00 41.12 42.80 3h1j n ASP 17 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3h1j n VAL 18 N -0.75 0.84 0.01 2.53 0.24 0.94 -4.81 118.33 117.33 3h1j n VAL 18 Ca 0.23 -2.10 -0.12 0.00 -2.04 0.00 0.00 64.34 60.30 3h1j n VAL 18 Cb 0.16 0.80 -0.14 0.00 -1.47 0.00 0.00 33.84 33.19 3h1j n VAL 18 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 3h1j h MET 19 N 1.60 0.10 -6.42 7.34 -1.53 -1.59 -3.45 114.93 110.98 3h1j h MET 19 Ca -0.13 -0.17 -0.57 0.00 -3.44 0.00 0.00 59.70 55.39 3h1j h MET 19 Cb 1.57 0.06 -0.08 0.00 -0.55 0.00 0.00 31.60 32.60 3h1j h MET 19 CO 0.16 0.81 0.88 0.34 0.14 0.00 0.00 176.91 179.24 3h1j s ASP 20 N -6.52 6.44 0.00 1.39 2.15 -1.26 -4.90 116.67 113.96 3h1j s ASP 20 Ca -0.08 0.03 0.00 0.00 0.43 0.00 0.00 52.55 52.93 3h1j s ASP 20 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 3h1j s ASP 20 CO 0.82 -1.40 0.24 0.00 -0.17 0.00 0.00 175.17 174.66 3h1j n ALA 21 N 8.17 1.51 -0.95 3.66 0.00 -1.26 -1.60 120.51 130.04 3h1j n ALA 21 Ca 0.07 -0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.56 3h1j n ALA 21 Cb 0.49 -1.00 0.07 0.00 0.00 0.00 0.00 19.45 19.00 3h1j n ALA 21 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3h1j n THR 22 N -0.73 1.19 -5.07 0.00 -2.24 -1.26 -5.01 114.28 101.16 3h1j n THR 22 Ca 0.00 -1.38 -0.29 0.00 -2.27 0.00 0.00 64.05 60.10 3h1j n THR 22 Cb 0.00 0.17 -0.16 0.00 -2.10 0.00 0.00 70.33 68.24 3h1j n THR 22 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3h1j s THR 23 N -1.69 1.80 -0.25 4.28 2.01 -0.63 -5.07 115.64 116.09 3h1j s THR 23 Ca 0.16 -0.90 -0.32 0.00 0.31 0.00 0.00 61.69 60.94 3h1j s THR 23 Cb 0.14 -1.54 -0.08 0.00 0.01 0.00 0.00 72.50 71.02 3h1j s THR 23 CO 0.01 0.50 2.17 -0.24 -0.69 0.00 0.00 174.62 176.38 3h1j n SER 24 N 3.23 2.84 0.30 3.53 2.88 -1.26 -4.79 113.62 120.36 3h1j n SER 24 Ca -0.19 0.38 0.17 0.00 -1.33 0.00 0.00 58.87 57.90 3h1j n SER 24 Cb 0.52 -1.42 0.97 0.00 -0.75 0.00 0.00 64.21 63.54 3h1j n SER 24 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3h1j h SER 25 N 13.32 0.00 -0.83 -3.46 4.64 -1.92 -3.03 113.55 122.26 3h1j h SER 25 Ca -0.36 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.09 3h1j h SER 25 Cb 1.28 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.28 3h1j h SER 25 CO 0.98 0.02 0.43 1.56 -0.87 0.00 0.00 176.83 178.95 3h1j h GLN 26 N 0.00 0.61 -0.85 4.77 1.08 -1.96 -2.58 115.11 116.19 3h1j h GLN 26 Ca -0.00 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.20 3h1j h GLN 26 Cb 0.05 -0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 27.30 3h1j h GLN 26 CO 0.00 0.41 0.56 1.79 -0.95 0.00 0.00 178.83 180.63 3h1j h THR 27 N 0.63 1.12 -0.00 -0.54 1.35 -1.93 -1.96 112.91 111.57 3h1j h THR 27 Ca 0.45 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 3h1j h THR 27 Cb 0.61 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.03 3h1j h THR 27 CO -0.35 0.19 -0.17 -1.54 -0.25 0.00 0.00 175.52 173.40 3h1j n SER 28 N -4.45 0.61 0.24 5.36 3.41 -1.00 -4.33 113.62 113.46 3h1j n SER 28 Ca 0.11 -0.60 -0.16 0.00 -0.26 0.00 0.00 58.87 57.97 3h1j n SER 28 Cb 0.13 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 63.99 3h1j n SER 28 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3h1j h SER 29 N 0.69 -0.94 -1.08 4.04 4.64 -1.06 -1.31 113.55 118.52 3h1j h SER 29 Ca 0.00 0.08 0.30 0.00 -0.47 0.00 0.00 61.79 61.70 3h1j h SER 29 Cb 0.41 0.31 -0.06 0.00 -0.31 0.00 0.00 62.40 62.75 3h1j h SER 29 CO 0.00 -0.50 0.75 -0.33 -0.87 0.00 0.00 176.83 175.88 3h1j h GLU 30 N -0.75 0.12 0.09 4.77 5.08 -1.75 0.18 114.58 122.31 3h1j h GLU 30 Ca -0.03 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.16 3h1j h GLU 30 Cb 0.67 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3h1j h GLU 30 CO -0.04 0.08 -0.79 -0.44 -1.00 0.00 0.00 179.01 176.82 3h1j h ASP 31 N 0.13 0.28 -0.88 1.42 3.32 -1.76 0.35 116.42 119.28 3h1j h ASP 31 Ca 0.55 -0.90 0.08 0.00 0.02 0.00 0.00 57.03 56.78 3h1j h ASP 31 Cb 1.92 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 41.30 3h1j h ASP 31 CO -0.10 1.35 0.54 0.03 -1.72 0.00 0.00 179.24 179.34 3h1j h ARG 32 N -0.58 0.91 0.13 3.56 3.08 -0.01 0.26 114.38 121.74 3h1j h ARG 32 Ca -0.16 -0.05 -0.20 0.00 0.07 0.00 0.00 59.98 59.63 3h1j h ARG 32 Cb 1.47 -0.21 0.02 0.00 0.08 0.00 0.00 29.97 31.34 3h1j h ARG 32 CO 0.06 0.60 -0.88 0.87 -1.07 0.00 0.00 179.97 179.55 3h1j h LYS 33 N 0.94 0.37 -0.93 0.04 1.57 -0.81 -3.12 116.57 114.63 3h1j h LYS 33 Ca 0.40 -0.57 0.09 0.00 -1.87 0.00 0.00 60.65 58.70 3h1j h LYS 33 Cb 0.27 0.20 -0.07 0.00 0.08 0.00 0.00 32.23 32.72 3h1j h LYS 33 CO -0.21 1.25 0.60 0.78 -0.57 0.00 0.00 179.45 181.30 3h1j h GLY 34 N -0.22 1.38 0.60 3.86 0.00 0.26 -1.08 103.07 107.87 3h1j h GLY 34 Ca -0.15 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 3h1j h GLY 34 CO 0.17 0.24 -0.08 -2.75 0.00 0.00 0.00 176.54 174.12 3h1j h PHE 35 N 0.98 -0.21 -0.71 5.60 3.57 -0.58 -1.81 116.94 123.79 3h1j h PHE 35 Ca 0.42 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.93 3h1j h PHE 35 Cb 0.34 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 3h1j h PHE 35 CO -0.00 0.16 0.47 0.77 -2.23 0.00 0.00 178.31 177.48 3h1j h SER 36 N -0.63 0.81 0.28 0.41 0.02 -1.45 -1.38 113.55 111.60 3h1j h SER 36 Ca -0.02 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 3h1j h SER 36 Cb 0.47 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3h1j h SER 36 CO 0.04 0.58 -0.25 1.88 -1.14 0.00 0.00 176.83 177.94 3h1j h TYR 37 N 0.95 0.00 -0.44 3.45 0.99 -1.24 -2.39 116.97 118.29 3h1j h TYR 37 Ca 0.26 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.92 3h1j h TYR 37 Cb -0.10 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 37.61 3h1j h TYR 37 CO -0.03 0.25 0.00 1.25 -0.00 0.00 0.00 178.16 179.64 3h1j h LEU 38 N 0.00 0.76 0.08 3.88 5.85 -0.37 0.27 115.31 125.79 3h1j h LEU 38 Ca -0.00 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.43 3h1j h LEU 38 Cb 0.46 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3h1j h LEU 38 CO 0.03 0.88 -0.25 0.58 -0.34 0.00 0.00 178.44 179.34 3h1j h VAL 39 N 0.62 0.45 0.19 1.05 2.07 -0.90 0.51 116.25 120.24 3h1j h VAL 39 Ca 0.13 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.66 3h1j h VAL 39 Cb 0.49 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3h1j h VAL 39 CO 0.02 0.00 -0.32 0.74 0.02 0.00 0.00 177.57 178.04 3h1j h THR 40 N -0.43 0.33 -0.67 2.57 2.02 -1.20 0.49 112.91 116.01 3h1j h THR 40 Ca 0.04 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.36 3h1j h THR 40 Cb 0.47 0.33 -0.11 0.00 -1.74 0.00 0.00 68.15 67.10 3h1j h THR 40 CO -0.16 0.00 0.04 0.00 0.37 0.00 0.00 175.52 175.76 3h1j h ALA 41 N 0.03 0.72 -0.36 6.16 0.00 -0.21 0.11 119.26 125.71 3h1j h ALA 41 Ca 0.01 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3h1j h ALA 41 Cb 0.58 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3h1j h ALA 41 CO -0.14 -0.39 0.23 1.15 0.00 0.00 0.00 179.25 180.10 3h1j h THR 42 N 0.14 1.08 -0.67 0.00 2.02 -0.15 -0.06 112.91 115.27 3h1j h THR 42 Ca 0.36 -0.16 0.06 0.00 0.77 0.00 0.00 66.41 67.44 3h1j h THR 42 Cb 0.61 0.56 -0.06 0.00 -1.74 0.00 0.00 68.15 67.52 3h1j h THR 42 CO -0.56 0.09 0.37 0.00 0.37 0.00 0.00 175.52 175.79 3h1j h ALA 43 N 1.14 0.91 -0.19 6.16 0.00 0.93 0.13 119.26 128.33 3h1j h ALA 43 Ca 0.14 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3h1j h ALA 43 Cb -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3h1j h ALA 43 CO -0.04 0.04 0.04 0.00 0.00 0.00 0.00 179.25 179.29 3h1j h VAL 45 N 0.12 0.93 0.55 0.00 2.07 0.25 0.47 116.25 120.64 3h1j h VAL 45 Ca 0.09 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 3h1j h VAL 45 Cb 0.08 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 30.06 3h1j h VAL 45 CO -0.11 0.12 -0.26 0.00 0.02 0.00 0.00 177.57 177.33 3h1j h ALA 46 N 1.38 -0.74 -0.67 1.67 0.00 -0.04 -0.49 119.26 120.36 3h1j h ALA 46 Ca 0.32 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.12 3h1j h ALA 46 Cb 0.24 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 3h1j h ALA 46 CO -0.21 -0.92 0.39 1.15 0.00 0.00 0.00 179.25 179.66 3h1j h THR 47 N -0.74 1.00 -0.74 0.00 2.02 -0.54 0.50 112.91 114.41 3h1j h THR 47 Ca -0.08 -0.25 0.11 0.00 0.77 0.00 0.00 66.41 66.96 3h1j h THR 47 Cb 0.57 0.21 -0.08 0.00 -1.74 0.00 0.00 68.15 67.11 3h1j h THR 47 CO 0.12 0.13 0.35 0.00 0.37 0.00 0.00 175.52 176.50 3h1j h ALA 48 N 1.33 1.03 0.41 6.16 0.00 0.16 0.60 119.26 128.95 3h1j h ALA 48 Ca 0.29 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 3h1j h ALA 48 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3h1j h ALA 48 CO -0.16 -0.09 -0.20 -0.92 0.00 0.00 0.00 179.25 177.89 3h1j h TYR 49 N 0.57 -0.51 -0.71 0.00 3.20 0.63 -0.41 116.97 119.74 3h1j h TYR 49 Ca 0.38 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.32 3h1j h TYR 49 Cb 0.45 0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.83 3h1j h TYR 49 CO -0.12 -0.24 0.37 0.00 -1.64 0.00 0.00 178.16 176.53 3h1j h ALA 50 N -0.15 0.97 0.67 1.82 0.00 -0.21 -2.15 119.26 120.22 3h1j h ALA 50 Ca -0.06 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3h1j h ALA 50 Cb 0.49 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3h1j h ALA 50 CO 0.09 -0.01 -0.32 0.00 0.00 0.00 0.00 179.25 179.01 3h1j h ALA 51 N 1.41 -0.90 -0.86 0.00 0.00 0.31 -1.35 119.26 117.86 3h1j h ALA 51 Ca 0.34 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 55.23 3h1j h ALA 51 Cb 0.32 0.35 -0.11 0.00 0.00 0.00 0.00 17.79 18.34 3h1j h ALA 51 CO -0.24 -0.98 0.38 -0.22 0.00 0.00 0.00 179.25 178.19 3h1j h LYS 52 N -0.96 0.44 -0.13 0.00 3.11 -0.85 0.88 116.57 119.06 3h1j h LYS 52 Ca -0.09 -0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 57.69 3h1j h LYS 52 Cb 0.71 -0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 31.84 3h1j h LYS 52 CO 0.15 0.29 -0.06 -0.91 -2.81 0.00 0.00 179.45 176.11 3h1j h ASN 53 N 0.45 0.27 -0.80 4.20 2.35 -1.25 0.04 115.58 120.85 3h1j h ASN 53 Ca 0.51 -0.41 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 3h1j h ASN 53 Cb 0.89 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 39.14 3h1j h ASN 53 CO -0.47 0.62 0.40 0.58 -1.65 0.00 0.00 177.43 176.91 3h1j h VAL 54 N -0.07 1.25 -0.08 2.81 2.07 -0.41 -0.49 116.25 121.33 3h1j h VAL 54 Ca 0.03 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 3h1j h VAL 54 Cb 0.52 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3h1j h VAL 54 CO 0.02 0.29 0.02 0.58 0.02 0.00 0.00 177.57 178.49 3h1j h VAL 55 N 1.14 1.20 -0.22 2.57 2.07 -0.79 -0.98 116.25 121.25 3h1j h VAL 55 Ca 0.28 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 67.23 3h1j h VAL 55 Cb 0.08 1.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.24 3h1j h VAL 55 CO -0.04 0.17 -0.51 0.74 0.02 0.00 0.00 177.57 177.95 3h1j h THR 56 N -0.10 0.04 0.33 2.57 2.02 -0.58 0.62 112.91 117.82 3h1j h THR 56 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 3h1j h THR 56 Cb 0.26 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 3h1j h THR 56 CO 0.00 0.00 -0.47 1.56 0.37 0.00 0.00 175.52 176.98 3h1j h GLN 57 N -0.50 -0.82 -0.64 6.66 4.20 -1.04 -0.91 115.11 122.07 3h1j h GLN 57 Ca 0.06 0.06 0.08 0.00 0.06 0.00 0.00 58.65 58.91 3h1j h GLN 57 Cb 0.65 0.19 -0.07 0.00 0.30 0.00 0.00 27.48 28.55 3h1j h GLN 57 CO -0.48 -0.54 0.30 0.74 -0.67 0.00 0.00 178.83 178.17 3h1j h PHE 58 N -0.85 0.53 -0.87 2.96 0.05 -0.87 -1.11 116.94 116.79 3h1j h PHE 58 Ca -0.03 0.03 0.05 0.00 3.82 0.00 0.00 57.97 61.84 3h1j h PHE 58 Cb 0.79 -0.14 -0.05 0.00 2.00 0.00 0.00 35.95 38.54 3h1j h PHE 58 CO -0.31 0.19 0.57 0.97 -0.18 0.00 0.00 178.31 179.55 3h1j h ILE 59 N 0.53 1.09 -0.00 -0.55 6.09 0.61 -0.62 117.51 124.65 3h1j h ILE 59 Ca 0.31 -0.35 0.00 0.00 -1.37 0.00 0.00 64.86 63.45 3h1j h ILE 59 Cb 0.31 -0.02 0.00 0.00 0.47 0.00 0.00 36.82 37.59 3h1j h ILE 59 CO -0.25 0.19 -0.02 -1.54 -3.07 0.00 0.00 178.15 173.45 3h1j n SER 60 N -4.47 0.13 0.00 2.19 3.41 -0.38 -2.72 113.62 111.78 3h1j n SER 60 Ca 0.13 -0.53 0.13 0.00 -0.26 0.00 0.00 58.87 58.34 3h1j n SER 60 Cb 0.17 -0.15 0.67 0.00 -0.26 0.00 0.00 64.21 64.64 3h1j n SER 60 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3h1j n SER 61 N -1.09 0.00 -0.07 4.04 3.41 -0.24 -2.95 113.62 116.71 3h1j n SER 61 Ca 0.17 -0.13 -0.13 0.00 -0.26 0.00 0.00 58.87 58.53 3h1j n SER 61 Cb 0.21 -0.27 -0.14 0.00 -0.26 0.00 0.00 64.21 63.75 3h1j n SER 61 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h1j n LEU 62 N -1.27 1.25 -4.46 1.04 4.77 -1.10 -4.98 117.00 112.25 3h1j n LEU 62 Ca 0.13 0.12 -0.29 0.00 -0.03 0.00 0.00 56.01 55.94 3h1j n LEU 62 Cb 0.20 -0.13 0.26 0.00 -2.33 0.00 0.00 43.42 41.43 3h1j n LEU 62 CO 0.20 0.61 0.50 -0.44 -1.33 0.00 0.00 177.39 176.93 3h1j s SER 63 N -6.11 0.54 0.33 -1.43 0.01 -1.15 -4.90 113.70 100.98 3h1j s SER 63 Ca -0.15 1.29 -0.28 0.00 1.31 0.00 0.00 55.95 58.12 3h1j s SER 63 Cb 0.07 -1.98 -0.13 0.00 0.21 0.00 0.00 66.02 64.20 3h1j s SER 63 CO 0.77 -4.44 1.25 0.00 0.41 0.00 0.00 173.24 171.23 3h1j n ALA 64 N -5.06 1.03 -1.95 1.44 0.00 -1.26 -4.99 120.51 109.72 3h1j n ALA 64 Ca 0.05 0.37 -0.28 0.00 0.00 0.00 0.00 53.44 53.58 3h1j n ALA 64 Cb 0.56 -2.22 0.17 0.00 0.00 0.00 0.00 19.45 17.96 3h1j n ALA 64 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3h1j s SER 65 N -0.31 3.39 0.28 0.00 1.04 -1.26 -4.99 113.70 111.85 3h1j s SER 65 Ca 0.57 0.07 0.13 0.00 0.48 0.00 0.00 55.95 57.20 3h1j s SER 65 Cb -0.60 -0.18 0.33 0.00 0.10 0.00 0.00 66.02 65.67 3h1j s SER 65 CO 0.61 -2.53 1.58 0.00 0.98 0.00 0.00 173.24 173.87 3h1j h ALA 66 N -1.37 0.84 0.00 5.32 0.00 -2.02 -2.91 119.26 119.13 3h1j h ALA 66 Ca -0.42 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 53.95 3h1j h ALA 66 Cb 1.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3h1j h ALA 66 CO 0.38 0.74 0.00 -0.40 0.00 0.00 0.00 179.25 179.97 3h1j n ASP 67 N -3.58 0.00 -4.55 0.00 5.75 -1.26 -4.31 116.55 108.60 3h1j n ASP 67 Ca -0.00 0.50 -0.41 0.00 -0.01 0.00 0.00 54.79 54.87 3h1j n ASP 67 Cb 0.65 -0.50 -0.03 0.00 -1.03 0.00 0.00 41.12 40.21 3h1j n ASP 67 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3h1j s VAL 68 N -3.00 3.75 0.61 2.12 1.01 -1.10 -4.98 120.40 118.82 3h1j s VAL 68 Ca 0.04 0.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 3h1j s VAL 68 Cb 0.05 -4.89 0.13 0.00 0.00 0.00 0.00 36.38 31.68 3h1j s VAL 68 CO 0.15 -1.81 0.29 0.00 0.00 0.00 0.00 175.10 173.73 3h1j n LEU 69 N 9.53 0.00 -3.41 3.92 -0.00 -1.26 -4.98 117.00 120.80 3h1j n LEU 69 Ca 0.14 -0.30 -0.19 0.00 -0.00 0.00 0.00 56.01 55.66 3h1j n LEU 69 Cb 0.50 -0.45 -0.10 0.00 -0.00 0.00 0.00 43.42 43.37 3h1j n LEU 69 CO 0.69 -1.99 -0.19 0.00 -0.00 0.00 0.00 177.39 175.90 3h1j s ALA 70 N -2.04 -0.29 0.47 1.47 0.00 -1.26 -5.16 121.76 114.95 3h1j s ALA 70 Ca 0.23 -0.58 0.07 0.00 0.00 0.00 0.00 51.96 51.67 3h1j s ALA 70 Cb -0.04 -1.80 -0.00 0.00 0.00 0.00 0.00 23.12 21.28 3h1j s ALA 70 CO 0.19 -1.80 0.33 -0.51 0.00 0.00 0.00 175.76 173.97 3h1j s LEU 71 N 2.11 3.03 0.00 0.00 1.43 -1.26 -5.15 118.68 118.83 3h1j s LEU 71 Ca 0.11 -1.05 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 3h1j s LEU 71 Cb -0.15 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.55 3h1j s LEU 71 CO -0.26 -0.81 0.00 -1.54 0.23 0.00 0.00 176.35 173.96 3h1j n SER 72 N -1.55 0.00 0.00 2.29 3.41 -1.26 -5.07 113.62 111.44 3h1j n SER 72 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3h1j n SER 72 Cb 0.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 3h1j n SER 72 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h1j n LYS 73 N 0.00 3.36 -3.63 4.33 5.02 -1.26 -4.88 118.16 121.11 3h1j n LYS 73 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 3h1j n LYS 73 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 3h1j n LYS 73 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3h1j s ILE 74 N 3.29 -0.00 0.13 -0.18 2.07 -0.93 -4.96 121.20 120.61 3h1j s ILE 74 Ca 0.00 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.17 3h1j s ILE 74 Cb 0.00 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.53 3h1j s ILE 74 CO 0.00 0.00 0.41 -1.61 -1.91 0.00 0.00 174.94 171.83 3h1j s GLU 75 N 1.06 3.69 -0.10 3.50 2.02 -1.26 -1.85 118.70 125.75 3h1j s GLU 75 Ca -0.08 0.06 -0.04 0.00 0.02 0.00 0.00 54.97 54.93 3h1j s GLU 75 Cb -0.02 -2.88 0.05 0.00 0.10 0.00 0.00 34.13 31.38 3h1j s GLU 75 CO -0.10 0.48 0.21 0.42 0.02 0.00 0.00 175.26 176.30 3h1j s ILE 76 N -1.58 -0.28 -0.41 -1.63 1.01 0.99 -5.00 121.20 114.30 3h1j s ILE 76 Ca 0.39 0.28 -0.29 0.00 0.00 0.00 0.00 60.65 61.03 3h1j s ILE 76 Cb -0.13 -0.36 0.01 0.00 0.01 0.00 0.00 42.46 41.99 3h1j s ILE 76 CO 0.22 0.12 1.35 -0.75 0.00 0.00 0.00 174.94 175.87 3h1j s LYS 77 N 2.11 3.64 0.00 2.79 2.20 -1.26 -0.58 119.74 128.64 3h1j s LYS 77 Ca -0.00 0.90 0.00 0.00 -0.36 0.00 0.00 55.97 56.51 3h1j s LYS 77 Cb -0.12 -3.99 0.00 0.00 -1.51 0.00 0.00 37.83 32.21 3h1j s LYS 77 CO -0.07 -1.49 0.27 1.28 -0.36 0.00 0.00 175.35 174.98 3h1j n LEU 78 N 8.52 0.00 0.02 5.43 4.77 -0.12 -0.90 117.00 134.72 3h1j n LEU 78 Ca 0.15 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.19 3h1j n LEU 78 Cb 0.48 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 3h1j n LEU 78 CO 0.70 0.00 -0.49 -1.20 -1.33 0.00 0.00 177.39 175.07 3h1j n SER 79 N -0.75 0.45 0.11 -1.43 7.64 -1.25 -3.84 113.62 114.55 3h1j n SER 79 Ca 0.00 0.19 0.13 0.00 1.01 0.00 0.00 58.87 60.20 3h1j n SER 79 Cb 0.00 0.96 0.43 0.00 -1.01 0.00 0.00 64.21 64.59 3h1j n SER 79 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3h1j n ASP 80 N -2.61 0.76 -4.06 6.43 8.00 -0.08 -4.17 116.55 120.83 3h1j n ASP 80 Ca -0.09 0.60 -0.35 0.00 0.71 0.00 0.00 54.79 55.67 3h1j n ASP 80 Cb 0.72 -0.79 -0.09 0.00 -0.02 0.00 0.00 41.12 40.94 3h1j n ASP 80 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h1j s ILE 81 N -3.15 3.84 0.88 0.53 1.01 -1.25 -5.08 121.20 117.97 3h1j s ILE 81 Ca 0.09 -3.62 -0.10 0.00 0.00 0.00 0.00 60.65 57.02 3h1j s ILE 81 Cb 0.12 -3.45 0.12 0.00 0.01 0.00 0.00 42.46 39.26 3h1j s ILE 81 CO 0.54 -0.99 1.13 -2.16 0.00 0.00 0.00 174.94 173.46 3h1j s PRO 82 N -0.91 1.31 0.52 2.79 0.04 -1.26 -4.69 135.00 132.81 3h1j s PRO 82 Ca 0.23 1.44 -0.22 0.00 0.04 0.00 0.00 61.00 62.49 3h1j s PRO 82 Cb -0.12 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.59 3h1j s PRO 82 CO -0.10 -2.39 1.20 -1.91 0.04 0.00 0.00 177.00 173.84 3h1j n GLU 83 N -4.06 1.48 -1.02 4.56 2.13 -1.26 -2.75 120.64 119.71 3h1j n GLU 83 Ca 0.11 0.55 -0.01 0.00 0.66 0.00 0.00 57.16 58.47 3h1j n GLU 83 Cb 0.52 -2.37 -0.00 0.00 0.27 0.00 0.00 31.44 29.86 3h1j n GLU 83 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h1j n GLY 84 N 0.96 0.49 3.14 8.31 0.00 0.32 -4.97 105.19 113.44 3h1j n GLY 84 Ca 0.10 -0.39 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 3h1j n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h1j s LYS 85 N -0.98 0.74 0.06 1.61 2.20 -1.11 -4.99 119.74 117.27 3h1j s LYS 85 Ca 0.00 -0.90 0.09 0.00 -0.36 0.00 0.00 55.97 54.79 3h1j s LYS 85 Cb 0.00 -0.69 -0.03 0.00 -1.51 0.00 0.00 37.83 35.60 3h1j s LYS 85 CO 0.00 0.15 -0.24 1.21 -0.36 0.00 0.00 175.35 176.11 3h1j s ASN 86 N -1.70 3.41 -0.01 1.43 2.47 -1.26 -0.55 114.94 118.72 3h1j s ASN 86 Ca -0.04 -0.56 -0.01 0.00 0.42 0.00 0.00 52.86 52.67 3h1j s ASN 86 Cb -0.10 -0.39 0.01 0.00 -1.45 0.00 0.00 41.25 39.32 3h1j s ASN 86 CO 0.02 0.25 0.03 -0.69 -3.72 0.00 0.00 177.10 172.99 3h1j s VAL 87 N -0.89 -0.01 -0.08 -5.21 1.01 -1.03 -4.99 120.40 109.21 3h1j s VAL 87 Ca 0.13 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.09 3h1j s VAL 87 Cb -0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 36.38 36.18 3h1j s VAL 87 CO 0.04 0.01 0.13 0.00 0.00 0.00 0.00 175.10 175.28 3h1j s ALA 88 N 0.14 3.81 -0.02 5.51 0.00 -1.26 -2.76 121.76 127.19 3h1j s ALA 88 Ca -0.01 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.27 3h1j s ALA 88 Cb -0.02 -1.86 -0.00 0.00 0.00 0.00 0.00 23.12 21.24 3h1j s ALA 88 CO -0.00 0.66 -0.10 -0.06 0.00 0.00 0.00 175.76 176.25 3h1j s PHE 89 N -1.10 0.95 0.61 0.00 0.40 -0.89 -4.96 117.98 112.99 3h1j s PHE 89 Ca 0.19 -0.21 -0.19 0.00 -0.60 0.00 0.00 56.93 56.11 3h1j s PHE 89 Cb -0.12 -0.64 -0.03 0.00 0.51 0.00 0.00 43.02 42.74 3h1j s PHE 89 CO 0.08 -0.06 1.32 0.21 0.70 0.00 0.00 175.22 177.47 3h1j s LYS 90 N -0.04 2.79 0.00 0.44 2.47 -1.26 -2.50 119.74 121.65 3h1j s LYS 90 Ca 0.01 2.12 0.00 0.00 -1.56 0.00 0.00 55.97 56.54 3h1j s LYS 90 Cb -0.06 -2.00 0.00 0.00 -1.46 0.00 0.00 37.83 34.30 3h1j s LYS 90 CO 0.00 -1.43 0.00 1.87 0.16 0.00 0.00 175.35 175.95 3h1j n TRP 91 N -1.56 0.00 -2.46 4.03 -0.00 -1.24 -4.87 117.44 111.34 3h1j n TRP 91 Ca 0.14 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.60 3h1j n TRP 91 Cb 0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 31.31 31.77 3h1j n TRP 91 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 3h1j n ARG 92 N -0.01 -2.56 0.00 5.87 1.74 -1.26 -2.88 116.66 117.56 3h1j n ARG 92 Ca 0.00 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 3h1j n ARG 92 Cb 0.00 -3.98 0.00 0.00 -1.02 0.00 0.00 32.46 27.46 3h1j n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h1j n GLY 93 N -0.50 0.76 3.78 -0.13 0.00 -1.26 -5.00 105.19 102.84 3h1j n GLY 93 Ca 0.01 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 3h1j n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1j s LYS 94 N 0.00 2.41 0.64 1.61 -0.14 -1.14 -4.94 119.74 118.18 3h1j s LYS 94 Ca 0.00 1.16 -0.04 0.00 -1.36 0.00 0.00 55.97 55.72 3h1j s LYS 94 Cb 0.00 -1.92 0.07 0.00 -1.68 0.00 0.00 37.83 34.30 3h1j s LYS 94 CO 0.00 -1.52 0.16 -2.30 -0.76 0.00 0.00 175.35 170.93 3h1j n PRO 95 N -3.35 0.69 -3.55 -1.68 -0.02 -1.26 -3.68 135.00 122.15 3h1j n PRO 95 Ca 0.09 -0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 3h1j n PRO 95 Cb 0.53 -1.08 -0.04 0.00 -0.02 0.00 0.00 33.50 32.89 3h1j n PRO 95 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3h1j s LEU 96 N 0.00 -1.10 0.18 2.45 2.96 -1.04 -3.95 118.68 118.18 3h1j s LEU 96 Ca 0.12 1.38 -0.05 0.00 -0.22 0.00 0.00 54.13 55.36 3h1j s LEU 96 Cb -0.02 2.20 -0.05 0.00 0.50 0.00 0.00 46.19 48.81 3h1j s LEU 96 CO 0.10 -0.21 0.42 -0.36 -1.32 0.00 0.00 176.35 174.98 3h1j s PHE 97 N 2.84 3.47 -0.28 5.38 0.08 0.12 -2.09 117.98 127.51 3h1j s PHE 97 Ca -0.02 0.56 0.00 0.00 0.12 0.00 0.00 56.93 57.60 3h1j s PHE 97 Cb -0.12 -2.02 0.14 0.00 -0.57 0.00 0.00 43.02 40.46 3h1j s PHE 97 CO -0.19 0.37 0.36 0.08 -0.10 0.00 0.00 175.22 175.74 3h1j s VAL 98 N -1.77 -0.54 -0.13 -0.44 1.01 -1.11 -2.81 120.40 114.60 3h1j s VAL 98 Ca 0.42 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.10 3h1j s VAL 98 Cb -0.12 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 3h1j s VAL 98 CO 0.26 -0.30 -0.15 -0.60 0.00 0.00 0.00 175.10 174.30 3h1j s ARG 99 N 2.48 3.29 -0.50 2.72 3.52 -0.22 -2.46 118.95 127.77 3h1j s ARG 99 Ca 0.10 -0.73 -0.24 0.00 -0.13 0.00 0.00 55.73 54.73 3h1j s ARG 99 Cb -0.14 -2.59 0.04 0.00 -1.56 0.00 0.00 34.95 30.70 3h1j s ARG 99 CO -0.27 0.15 0.88 -1.58 -0.81 0.00 0.00 175.30 173.66 3h1j s HIS 100 N 0.50 2.89 -0.08 5.12 5.65 0.28 -1.25 115.29 128.40 3h1j s HIS 100 Ca -0.10 0.07 -0.20 0.00 0.25 0.00 0.00 55.06 55.07 3h1j s HIS 100 Cb -0.16 -3.91 -0.04 0.00 -1.18 0.00 0.00 32.58 27.29 3h1j s HIS 100 CO 0.04 -1.19 0.58 1.03 -0.65 0.00 0.00 174.74 174.55 3h1j s ARG 101 N 3.65 4.36 0.56 2.88 0.52 0.63 -0.52 118.95 131.03 3h1j s ARG 101 Ca 0.30 0.65 -0.14 0.00 -0.52 0.00 0.00 55.73 56.02 3h1j s ARG 101 Cb -0.12 -3.42 -0.06 0.00 0.52 0.00 0.00 34.95 31.87 3h1j s ARG 101 CO 0.21 0.17 1.01 0.95 0.02 0.00 0.00 175.30 177.66 3h1j s THR 102 N 0.51 4.53 -1.19 0.02 -4.23 -1.26 -4.48 115.64 109.54 3h1j s THR 102 Ca 0.31 1.06 0.14 0.00 -1.18 0.00 0.00 61.69 62.02 3h1j s THR 102 Cb -0.17 -3.74 0.17 0.00 1.34 0.00 0.00 72.50 70.11 3h1j s THR 102 CO 0.14 -0.84 1.42 1.67 -0.54 0.00 0.00 174.62 176.47 3h1j n GLN 103 N -2.05 0.09 0.17 3.99 7.27 -1.26 -1.70 117.38 123.88 3h1j n GLN 103 Ca 0.07 0.21 0.04 0.00 0.07 0.00 0.00 57.00 57.39 3h1j n GLN 103 Cb 0.54 -1.50 0.47 0.00 2.41 0.00 0.00 30.24 32.16 3h1j n GLN 103 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3h1j h ALA 104 N 2.56 1.66 0.00 1.69 0.00 -2.00 -2.88 119.26 120.29 3h1j h ALA 104 Ca 0.00 -0.15 -0.37 0.00 0.00 0.00 0.00 54.91 54.38 3h1j h ALA 104 Cb 0.19 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 3h1j h ALA 104 CO 0.00 0.25 -2.05 0.39 0.00 0.00 0.00 179.25 177.85 3h1j n GLU 105 N -4.34 0.58 -0.52 0.00 1.02 -0.69 -4.39 120.64 112.30 3h1j n GLU 105 Ca -0.01 0.38 0.42 0.00 -0.02 0.00 0.00 57.16 57.93 3h1j n GLU 105 Cb 0.23 -1.59 0.65 0.00 -0.02 0.00 0.00 31.44 30.70 3h1j n GLU 105 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3h1j n ILE 106 N -4.29 0.00 0.08 -3.67 5.41 -0.75 -0.24 119.36 115.90 3h1j n ILE 106 Ca -0.46 1.28 -0.04 0.00 1.00 0.00 0.00 62.75 64.54 3h1j n ILE 106 Cb 0.81 -2.17 -0.02 0.00 -0.71 0.00 0.00 39.64 37.55 3h1j n ILE 106 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 3h1j h ASN 107 N 0.00 -0.21 -0.89 4.38 2.35 -1.71 -3.18 115.58 116.32 3h1j h ASN 107 Ca 0.74 0.01 0.17 0.00 -0.55 0.00 0.00 56.30 56.67 3h1j h ASN 107 Cb 3.20 0.05 -0.16 0.00 0.05 0.00 0.00 38.32 41.46 3h1j h ASN 107 CO -0.01 0.06 -0.27 1.56 -1.65 0.00 0.00 177.43 177.12 3h1j h GLN 108 N -0.65 -0.02 0.00 0.81 4.20 -0.83 0.55 115.11 119.17 3h1j h GLN 108 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3h1j h GLN 108 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 3h1j h GLN 108 CO 0.04 -0.01 0.00 0.39 -0.67 0.00 0.00 178.83 178.58 3h1j n GLU 109 N -5.54 0.16 0.00 1.46 -0.58 -0.82 -0.89 120.64 114.44 3h1j n GLU 109 Ca 0.12 0.59 0.04 0.00 -0.42 0.00 0.00 57.16 57.49 3h1j n GLU 109 Cb 0.43 -1.96 0.02 0.00 -0.57 0.00 0.00 31.44 29.37 3h1j n GLU 109 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h1j n ALA 110 N -1.79 2.56 -2.33 0.62 0.00 0.16 -4.04 120.51 115.69 3h1j n ALA 110 Ca -0.01 -0.52 -0.29 0.00 0.00 0.00 0.00 53.44 52.63 3h1j n ALA 110 Cb 0.09 -0.29 0.01 0.00 0.00 0.00 0.00 19.45 19.26 3h1j n ALA 110 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h1j n GLU 111 N 0.23 3.34 -4.11 0.00 1.02 0.43 -4.99 120.64 116.57 3h1j n GLU 111 Ca 0.04 -4.31 -0.15 0.00 -0.02 0.00 0.00 57.16 52.72 3h1j n GLU 111 Cb 0.20 -2.26 -0.12 0.00 -0.02 0.00 0.00 31.44 29.25 3h1j n GLU 111 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h1j s VAL 112 N -5.35 0.71 -0.84 2.62 1.01 -1.23 -4.89 120.40 112.42 3h1j s VAL 112 Ca 0.49 -1.09 -0.22 0.00 0.00 0.00 0.00 61.98 61.17 3h1j s VAL 112 Cb 0.41 -0.73 -0.20 0.00 0.00 0.00 0.00 36.38 35.85 3h1j s VAL 112 CO -0.19 -0.30 2.38 0.47 0.00 0.00 0.00 175.10 177.47 3h1j n ASP 113 N 1.52 0.62 0.00 3.32 8.00 -1.26 -4.70 116.55 124.04 3h1j n ASP 113 Ca -0.22 -0.73 0.09 0.00 0.71 0.00 0.00 54.79 54.64 3h1j n ASP 113 Cb 0.55 -1.17 0.47 0.00 -0.02 0.00 0.00 41.12 40.95 3h1j n ASP 113 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3h1j n VAL 114 N 7.41 0.27 0.02 2.53 0.31 -1.26 -1.46 118.33 126.15 3h1j n VAL 114 Ca 0.55 0.07 0.05 0.00 -0.01 0.00 0.00 64.34 65.00 3h1j n VAL 114 Cb 0.29 -0.79 -0.09 0.00 -0.91 0.00 0.00 33.84 32.34 3h1j n VAL 114 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3h1j n SER 115 N -1.15 0.51 -1.97 4.52 3.41 -1.26 -4.10 113.62 113.57 3h1j n SER 115 Ca 0.11 0.21 -0.17 0.00 -0.26 0.00 0.00 58.87 58.76 3h1j n SER 115 Cb 0.10 0.86 0.17 0.00 -0.26 0.00 0.00 64.21 65.08 3h1j n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h1j n LYS 116 N -2.64 2.30 -4.22 4.33 5.02 -0.53 -4.93 118.16 117.48 3h1j n LYS 116 Ca -0.09 -2.50 -0.35 0.00 -2.02 0.00 0.00 58.31 53.35 3h1j n LYS 116 Cb 0.73 -1.99 -0.09 0.00 -0.02 0.00 0.00 35.03 33.66 3h1j n LYS 116 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h1j s LEU 117 N -2.67 3.79 0.10 -0.35 1.43 -1.24 -5.01 118.68 114.73 3h1j s LEU 117 Ca 0.47 0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 53.49 3h1j s LEU 117 Cb 0.39 -1.89 -0.11 0.00 0.03 0.00 0.00 46.19 44.61 3h1j s LEU 117 CO 0.10 0.36 1.62 -0.09 0.23 0.00 0.00 176.35 178.57 3h1j h ARG 118 N 5.29 -0.57 -3.67 1.70 2.43 -1.92 -3.20 114.38 114.44 3h1j h ARG 118 Ca -0.50 0.04 -0.70 0.00 -0.81 0.00 0.00 59.98 58.01 3h1j h ARG 118 Cb 1.20 0.13 -0.35 0.00 -0.42 0.00 0.00 29.97 30.53 3h1j h ARG 118 CO 0.57 -0.38 -0.37 0.34 -1.51 0.00 0.00 179.97 178.63 3h1j s ASP 119 N -4.72 5.28 0.03 -3.80 2.15 -1.26 -5.04 116.67 109.32 3h1j s ASP 119 Ca -0.16 -2.78 -0.30 0.00 0.43 0.00 0.00 52.55 49.74 3h1j s ASP 119 Cb 0.07 -1.86 -0.08 0.00 -0.30 0.00 0.00 42.92 40.75 3h1j s ASP 119 CO 0.64 -0.39 1.77 -2.16 -0.17 0.00 0.00 175.17 174.86 3h1j s PRO 120 N 0.04 4.17 0.03 4.34 0.04 -1.21 -4.82 135.00 137.59 3h1j s PRO 120 Ca 0.16 2.41 -0.27 0.00 0.04 0.00 0.00 61.00 63.34 3h1j s PRO 120 Cb -0.20 -3.86 0.08 0.00 0.04 0.00 0.00 34.50 30.55 3h1j s PRO 120 CO -0.04 -0.84 0.69 -0.65 0.04 0.00 0.00 177.00 176.20 3h1j s GLN 121 N 3.55 1.09 -0.17 4.56 -0.21 -1.26 -5.10 119.66 122.12 3h1j s GLN 121 Ca 0.79 -0.11 -0.07 0.00 0.02 0.00 0.00 55.36 55.99 3h1j s GLN 121 Cb -0.40 0.51 -0.04 0.00 1.00 0.00 0.00 33.01 34.08 3h1j s GLN 121 CO 0.35 -0.42 0.07 -1.58 -2.12 0.00 0.00 175.29 171.59 3h1j s HIS 122 N -2.44 3.28 0.50 0.91 5.65 -1.26 -4.89 115.29 117.04 3h1j s HIS 122 Ca -0.04 0.13 0.44 0.00 0.25 0.00 0.00 55.06 55.84 3h1j s HIS 122 Cb -0.01 -2.06 1.59 0.00 -1.18 0.00 0.00 32.58 30.93 3h1j s HIS 122 CO -0.02 0.23 1.48 -3.47 -0.65 0.00 0.00 174.74 172.31 3h1j n ASP 123 N 3.34 0.05 0.20 9.88 2.03 -1.26 -0.74 116.55 130.05 3h1j n ASP 123 Ca -0.17 1.04 -0.14 0.00 0.52 0.00 0.00 54.79 56.05 3h1j n ASP 123 Cb 0.52 -0.52 -0.08 0.00 -0.72 0.00 0.00 41.12 40.33 3h1j n ASP 123 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3h1j h LEU 124 N 0.00 -0.44 -0.00 -2.67 3.38 -1.89 -2.96 115.31 110.73 3h1j h LEU 124 Ca 0.88 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.73 3h1j h LEU 124 Cb 3.37 0.11 0.00 0.00 0.09 0.00 0.00 40.66 44.23 3h1j h LEU 124 CO -0.12 -0.09 0.00 -0.90 0.09 0.00 0.00 178.44 177.42 3h1j n ASP 125 N -5.19 0.00 -0.13 -0.43 5.68 0.08 -3.05 116.55 113.51 3h1j n ASP 125 Ca -0.10 -1.43 -0.26 0.00 -0.50 0.00 0.00 54.79 52.51 3h1j n ASP 125 Cb 0.28 -0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.15 3h1j n ASP 125 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3h1j n ARG 126 N -0.50 0.61 -2.15 0.11 1.74 -1.10 -4.95 116.66 110.42 3h1j n ARG 126 Ca 0.00 0.26 -0.05 0.00 -0.77 0.00 0.00 57.85 57.28 3h1j n ARG 126 Cb 0.00 -1.53 -0.00 0.00 -1.02 0.00 0.00 32.46 29.91 3h1j n ARG 126 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3h1j n VAL 127 N -3.96 0.00 0.02 1.55 0.24 -1.15 -4.96 118.33 110.07 3h1j n VAL 127 Ca -0.50 -0.43 -0.02 0.00 -2.04 0.00 0.00 64.34 61.36 3h1j n VAL 127 Cb 0.91 -0.23 -0.01 0.00 -1.47 0.00 0.00 33.84 33.04 3h1j n VAL 127 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3h1j n LYS 128 N -0.56 0.06 -3.52 7.34 5.02 -1.26 -4.87 118.16 120.36 3h1j n LYS 128 Ca -0.02 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 3h1j n LYS 128 Cb 0.12 -0.61 -0.11 0.00 -0.02 0.00 0.00 35.03 34.42 3h1j n LYS 128 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3h1j s LYS 129 N -2.09 3.00 0.14 1.97 1.02 -1.26 -4.96 119.74 117.57 3h1j s LYS 129 Ca -0.04 -0.98 0.02 0.00 0.02 0.00 0.00 55.97 54.99 3h1j s LYS 129 Cb 0.01 -3.86 0.11 0.00 -0.52 0.00 0.00 37.83 33.57 3h1j s LYS 129 CO 0.05 -0.68 0.75 -2.30 -0.92 0.00 0.00 175.35 172.25 3h1j n PRO 130 N 5.09 0.02 0.00 -1.68 -0.02 -1.26 0.14 135.00 137.28 3h1j n PRO 130 Ca -0.12 0.28 0.09 0.00 -2.02 0.00 0.00 63.50 61.73 3h1j n PRO 130 Cb 0.47 -2.04 -0.07 0.00 -0.02 0.00 0.00 33.50 31.84 3h1j n PRO 130 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3h1j n GLU 131 N -1.43 1.04 -4.71 -0.52 0.00 -1.26 -4.73 120.64 109.03 3h1j n GLU 131 Ca -0.00 -0.30 -0.25 0.00 0.00 0.00 0.00 57.16 56.61 3h1j n GLU 131 Cb 0.49 -1.38 -0.16 0.00 0.00 0.00 0.00 31.44 30.39 3h1j n GLU 131 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 3h1j s TRP 132 N -2.59 1.57 -0.09 -1.84 0.52 0.36 0.23 118.94 117.10 3h1j s TRP 132 Ca 0.10 -0.50 0.02 0.00 0.02 0.00 0.00 56.10 55.73 3h1j s TRP 132 Cb 0.15 -1.09 0.01 0.00 -1.15 0.00 0.00 33.47 31.39 3h1j s TRP 132 CO 0.68 -0.21 -0.14 0.54 0.02 0.00 0.00 176.95 177.84 3h1j s VAL 133 N 0.29 1.38 -0.10 4.03 0.11 -0.38 -4.32 120.40 121.41 3h1j s VAL 133 Ca -0.08 -0.59 0.01 0.00 -2.93 0.00 0.00 61.98 58.39 3h1j s VAL 133 Cb -0.13 -1.26 0.02 0.00 -1.53 0.00 0.00 36.38 33.48 3h1j s VAL 133 CO 0.03 0.41 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.46 3h1j s ILE 134 N 0.87 1.29 0.15 7.04 1.01 -1.26 -1.06 121.20 129.25 3h1j s ILE 134 Ca -0.10 -0.51 -0.11 0.00 0.00 0.00 0.00 60.65 59.94 3h1j s ILE 134 Cb -0.15 -1.21 0.00 0.00 0.01 0.00 0.00 42.46 41.11 3h1j s ILE 134 CO 0.01 0.40 0.32 -1.48 0.00 0.00 0.00 174.94 174.19 3h1j s LEU 135 N 1.15 0.83 -0.45 2.97 0.05 -1.12 -4.30 118.68 117.80 3h1j s LEU 135 Ca -0.04 -0.71 -0.25 0.00 0.05 0.00 0.00 54.13 53.17 3h1j s LEU 135 Cb -0.14 1.39 0.03 0.00 -2.05 0.00 0.00 46.19 45.42 3h1j s LEU 135 CO -0.03 -0.89 0.92 -0.69 -0.55 0.00 0.00 176.35 175.11 3h1j s VAL 136 N -3.92 4.49 -0.28 1.48 1.01 0.61 0.15 120.40 123.93 3h1j s VAL 136 Ca 0.12 0.76 -0.18 0.00 0.00 0.00 0.00 61.98 62.69 3h1j s VAL 136 Cb 0.03 -4.42 -0.19 0.00 0.00 0.00 0.00 36.38 31.79 3h1j s VAL 136 CO -0.04 -0.81 1.57 0.61 0.00 0.00 0.00 175.10 176.44 3h1j n GLY 137 N 4.89 1.59 2.68 4.51 0.00 -1.25 -4.23 105.19 113.38 3h1j n GLY 137 Ca 0.06 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 45.14 3h1j n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1j s VAL 138 N 5.58 -0.09 0.29 1.61 1.01 -1.26 -4.24 120.40 123.30 3h1j s VAL 138 Ca 0.44 0.41 -0.30 0.00 0.00 0.00 0.00 61.98 62.53 3h1j s VAL 138 Cb 0.10 -0.17 -0.12 0.00 0.00 0.00 0.00 36.38 36.20 3h1j s VAL 138 CO 0.16 0.18 1.56 0.00 0.00 0.00 0.00 175.10 177.00 3h1j n THR 140 N 2.01 0.29 0.00 0.00 -2.24 -1.26 -2.35 114.28 110.74 3h1j n THR 140 Ca 0.09 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 3h1j n THR 140 Cb 0.36 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 3h1j n THR 140 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3h1j n HIS 141 N -1.39 0.00 -2.11 4.78 -0.00 -1.26 -4.54 115.22 110.70 3h1j n HIS 141 Ca 0.09 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.83 3h1j n HIS 141 Cb 0.24 0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.33 3h1j n HIS 141 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3h1j n LEU 142 N -0.30 2.06 0.00 0.27 4.77 -1.26 -4.95 117.00 117.59 3h1j n LEU 142 Ca 0.00 -3.09 0.00 0.00 -0.03 0.00 0.00 56.01 52.89 3h1j n LEU 142 Cb 0.00 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3h1j n LEU 142 CO 0.00 1.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 3h1j n GLY 143 N -0.36 0.83 3.79 -0.72 0.00 -0.99 -5.03 105.19 102.71 3h1j n GLY 143 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3h1j n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1j s VAL 145 N -3.07 4.82 0.30 0.00 1.01 -1.26 -0.00 120.40 122.19 3h1j s VAL 145 Ca 0.61 1.31 -0.29 0.00 0.00 0.00 0.00 61.98 63.61 3h1j s VAL 145 Cb -0.15 -4.12 -0.11 0.00 0.00 0.00 0.00 36.38 32.00 3h1j s VAL 145 CO 0.55 -0.17 1.46 -2.84 0.00 0.00 0.00 175.10 174.10 3h1j s PRO 146 N 2.89 4.21 -0.12 2.72 0.02 -1.26 -4.67 135.00 138.80 3h1j s PRO 146 Ca 0.33 2.41 -0.24 0.00 0.02 0.00 0.00 61.00 63.52 3h1j s PRO 146 Cb -0.15 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.30 3h1j s PRO 146 CO 0.10 -0.45 0.74 0.42 -0.33 0.00 0.00 177.00 177.49 3h1j s ILE 147 N -0.46 4.98 0.25 2.83 1.01 0.20 -4.79 121.20 125.22 3h1j s ILE 147 Ca 0.57 1.49 -0.30 0.00 0.00 0.00 0.00 60.65 62.41 3h1j s ILE 147 Cb -0.44 -4.07 -0.09 0.00 0.01 0.00 0.00 42.46 37.87 3h1j s ILE 147 CO 0.51 0.15 1.08 0.00 0.00 0.00 0.00 174.94 176.68 3h1j s ALA 148 N 1.41 3.39 -0.61 9.38 0.00 -1.26 -0.62 121.76 133.44 3h1j s ALA 148 Ca 0.37 0.85 -0.01 0.00 0.00 0.00 0.00 51.96 53.17 3h1j s ALA 148 Cb -0.17 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 3h1j s ALA 148 CO 0.15 -0.13 0.52 0.09 0.00 0.00 0.00 175.76 176.39 3h1j n ASN 149 N 1.53 -2.78 -3.44 0.00 3.02 -0.26 -4.95 115.26 108.38 3h1j n ASN 149 Ca -0.00 -0.34 -0.12 0.00 -0.03 0.00 0.00 54.58 54.08 3h1j n ASN 149 Cb 0.45 -2.97 -0.02 0.00 -0.61 0.00 0.00 39.78 36.63 3h1j n ASN 149 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3h1j s SER 150 N -3.56 -0.56 0.00 6.41 1.04 -1.25 -5.01 113.70 110.77 3h1j s SER 150 Ca 0.08 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.52 3h1j s SER 150 Cb -0.01 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.70 3h1j s SER 150 CO 0.39 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.27 3h1j n GLY 151 N -0.31 -1.39 0.57 7.32 0.00 -1.26 -3.14 105.19 106.98 3h1j n GLY 151 Ca -0.17 -2.09 0.07 0.00 0.00 0.00 0.00 46.02 43.83 3h1j n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h1j n ASP 152 N 0.00 3.11 -1.00 1.61 8.00 -1.26 -4.57 116.55 122.44 3h1j n ASP 152 Ca 0.00 -2.62 0.05 0.00 0.71 0.00 0.00 54.79 52.93 3h1j n ASP 152 Cb 0.00 -0.37 0.12 0.00 -0.02 0.00 0.00 41.12 40.86 3h1j n ASP 152 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3h1j n PHE 153 N -0.39 0.00 -1.72 1.24 3.01 -1.26 -4.97 117.46 113.37 3h1j n PHE 153 Ca 0.15 -1.04 -0.05 0.00 1.01 0.00 0.00 57.45 57.52 3h1j n PHE 153 Cb 0.64 -0.20 -0.01 0.00 -0.01 0.00 0.00 39.48 39.89 3h1j n PHE 153 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3h1j n GLY 154 N -0.39 0.03 0.00 1.37 0.00 -1.26 -3.24 105.19 101.69 3h1j n GLY 154 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3h1j n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1j n GLY 155 N -0.32 0.68 3.18 -0.02 0.00 -1.15 -3.95 105.19 103.62 3h1j n GLY 155 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 3h1j n GLY 155 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h1j s TYR 156 N 0.93 0.96 -0.03 1.61 1.51 0.02 -1.11 117.35 121.23 3h1j s TYR 156 Ca 0.00 -1.27 0.00 0.00 -1.01 0.00 0.00 57.07 54.79 3h1j s TYR 156 Cb 0.00 -0.49 0.03 0.00 -0.11 0.00 0.00 41.96 41.39 3h1j s TYR 156 CO 0.00 -0.58 0.01 -0.47 -1.11 0.00 0.00 175.55 173.40 3h1j s TYR 157 N -4.09 0.32 -0.28 2.71 5.04 0.21 -0.72 117.35 120.54 3h1j s TYR 157 Ca 0.30 0.01 -0.18 0.00 -2.44 0.00 0.00 57.07 54.75 3h1j s TYR 157 Cb 0.07 -0.46 -0.02 0.00 0.35 0.00 0.00 41.96 41.90 3h1j s TYR 157 CO 0.06 -0.16 0.53 0.00 -1.34 0.00 0.00 175.55 174.64 3h1j n PRO 159 N 5.63 0.66 0.00 0.00 -0.04 -1.26 -2.25 135.00 137.74 3h1j n PRO 159 Ca -0.04 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.22 3h1j n PRO 159 Cb 0.49 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.32 3h1j n PRO 159 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1j n HIS 161 N -4.09 0.00 -2.17 0.00 8.25 -1.25 -5.06 115.22 110.90 3h1j n HIS 161 Ca -0.21 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.21 3h1j n HIS 161 Cb 0.82 0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.97 3h1j n HIS 161 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h1j n GLY 162 N 0.00 0.31 3.71 -1.41 0.00 -0.96 -4.55 105.19 102.29 3h1j n GLY 162 Ca 0.00 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 3h1j n GLY 162 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h1j s SER 163 N -3.23 6.23 -0.24 1.61 0.01 -1.22 -3.82 113.70 113.03 3h1j s SER 163 Ca 0.05 0.26 -0.09 0.00 1.31 0.00 0.00 55.95 57.48 3h1j s SER 163 Cb -0.01 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 64.07 3h1j s SER 163 CO 0.19 0.13 0.12 -1.00 0.41 0.00 0.00 173.24 173.09 3h1j s HIS 164 N 0.57 3.19 0.14 2.43 0.09 0.33 -1.48 115.29 120.57 3h1j s HIS 164 Ca 0.10 -0.07 0.07 0.00 -0.00 0.00 0.00 55.06 55.16 3h1j s HIS 164 Cb -0.12 -2.26 -0.04 0.00 -0.00 0.00 0.00 32.58 30.16 3h1j s HIS 164 CO 0.01 -0.14 -0.06 0.71 -0.00 0.00 0.00 174.74 175.26 3h1j s TYR 165 N 1.35 2.78 0.11 1.40 1.51 0.10 -0.47 117.35 124.13 3h1j s TYR 165 Ca 0.06 -0.15 -0.00 0.00 -1.01 0.00 0.00 57.07 55.97 3h1j s TYR 165 Cb -0.15 -1.40 0.02 0.00 -0.11 0.00 0.00 41.96 40.32 3h1j s TYR 165 CO 0.05 0.48 0.15 -0.40 -1.11 0.00 0.00 175.55 174.72 3h1j n ASP 166 N 0.32 0.18 0.00 2.29 5.68 -0.63 -0.80 116.55 123.58 3h1j n ASP 166 Ca -0.12 -1.16 0.09 0.00 -0.50 0.00 0.00 54.79 53.10 3h1j n ASP 166 Cb 0.54 -0.10 0.44 0.00 -1.14 0.00 0.00 41.12 40.85 3h1j n ASP 166 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3h1j n ALA 167 N -3.00 1.94 0.93 2.12 0.00 -1.20 -1.01 120.51 120.29 3h1j n ALA 167 Ca -0.03 -0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.43 3h1j n ALA 167 Cb 0.09 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 3h1j n ALA 167 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h1j n SER 168 N -1.29 1.69 -0.06 0.00 2.88 -1.26 -4.91 113.62 110.68 3h1j n SER 168 Ca 0.08 -1.35 -0.01 0.00 -1.33 0.00 0.00 58.87 56.27 3h1j n SER 168 Cb 0.14 0.60 -0.00 0.00 -0.75 0.00 0.00 64.21 64.20 3h1j n SER 168 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h1j n GLY 169 N 1.38 0.43 3.85 0.46 0.00 -0.18 -4.90 105.19 106.24 3h1j n GLY 169 Ca 0.07 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 3h1j n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h1j s ARG 170 N -2.20 3.89 -0.18 1.61 0.52 -1.26 0.03 118.95 121.36 3h1j s ARG 170 Ca 0.00 0.36 -0.29 0.00 -0.52 0.00 0.00 55.73 55.28 3h1j s ARG 170 Cb 0.00 -2.96 -0.02 0.00 0.52 0.00 0.00 34.95 32.50 3h1j s ARG 170 CO 0.00 0.51 1.33 -1.50 0.02 0.00 0.00 175.30 175.66 3h1j s ILE 171 N -1.44 4.16 -0.10 1.52 1.10 -1.26 -1.61 121.20 123.57 3h1j s ILE 171 Ca 0.36 1.38 0.07 0.00 -0.51 0.00 0.00 60.65 61.95 3h1j s ILE 171 Cb -0.15 -3.96 -0.11 0.00 0.15 0.00 0.00 42.46 38.39 3h1j s ILE 171 CO 0.19 -0.20 0.01 0.54 -2.11 0.00 0.00 174.94 173.36 3h1j n ARG 172 N 6.85 2.02 -3.62 3.50 5.12 0.38 -4.38 116.66 126.54 3h1j n ARG 172 Ca 0.15 0.01 -0.14 0.00 -1.93 0.00 0.00 57.85 55.93 3h1j n ARG 172 Cb 0.45 -1.25 -0.06 0.00 -1.16 0.00 0.00 32.46 30.44 3h1j n ARG 172 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3h1j s LYS 173 N -2.24 0.95 0.00 5.56 2.20 -1.03 -4.97 119.74 120.20 3h1j s LYS 173 Ca -0.07 -0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.36 3h1j s LYS 173 Cb 0.03 0.43 0.00 0.00 -1.51 0.00 0.00 37.83 36.78 3h1j s LYS 173 CO 0.38 -0.32 0.00 0.41 -0.36 0.00 0.00 175.35 175.46 3h1j n GLY 174 N 0.66 -1.07 0.08 5.54 0.00 -1.25 0.12 105.19 109.28 3h1j n GLY 174 Ca -0.19 -2.23 0.12 0.00 0.00 0.00 0.00 46.02 43.72 3h1j n GLY 174 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h1j h PRO 175 N 5.23 0.00 -6.53 1.61 0.13 -1.80 -3.48 132.00 127.16 3h1j h PRO 175 Ca 0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.53 3h1j h PRO 175 Cb 0.00 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.22 3h1j h PRO 175 CO 0.00 0.00 0.45 0.00 -0.23 0.00 0.00 178.00 178.22 3h1j n ALA 176 N -1.83 0.51 0.09 -0.56 0.00 -1.26 -4.90 120.51 112.57 3h1j n ALA 176 Ca 0.04 0.41 -0.19 0.00 0.00 0.00 0.00 53.44 53.71 3h1j n ALA 176 Cb 0.44 -2.18 -0.15 0.00 0.00 0.00 0.00 19.45 17.57 3h1j n ALA 176 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3h1j h PRO 177 N 3.49 0.33 -5.10 0.00 0.13 -1.92 -3.48 132.00 125.46 3h1j h PRO 177 Ca -0.44 -0.57 -0.59 0.00 -0.87 0.00 0.00 66.00 63.53 3h1j h PRO 177 Cb 1.30 0.21 -0.13 0.00 0.13 0.00 0.00 31.00 32.51 3h1j h PRO 177 CO 0.71 1.24 -0.52 0.71 -0.23 0.00 0.00 178.00 179.90 3h1j s TYR 178 N -2.62 1.83 0.25 1.56 2.02 -1.26 -4.48 117.35 114.64 3h1j s TYR 178 Ca -0.08 -1.18 -0.19 0.00 -0.37 0.00 0.00 57.07 55.25 3h1j s TYR 178 Cb 0.06 -1.29 -0.08 0.00 -0.40 0.00 0.00 41.96 40.25 3h1j s TYR 178 CO 0.88 -0.14 0.74 -0.80 -1.57 0.00 0.00 175.55 174.66 3h1j s ASN 179 N -3.68 7.01 0.22 2.29 0.01 -1.26 -4.29 114.94 115.24 3h1j s ASN 179 Ca 0.20 1.41 -0.29 0.00 -0.71 0.00 0.00 52.86 53.46 3h1j s ASN 179 Cb 0.03 -2.42 -0.16 0.00 0.41 0.00 0.00 41.25 39.11 3h1j s ASN 179 CO 0.12 -0.02 0.79 0.18 -1.51 0.00 0.00 177.10 176.66 3h1j n LEU 180 N 0.49 0.26 -4.76 0.60 4.77 0.10 -4.83 117.00 113.63 3h1j n LEU 180 Ca -0.01 1.15 -0.39 0.00 -0.03 0.00 0.00 56.01 56.73 3h1j n LEU 180 Cb 0.51 -1.11 0.01 0.00 -2.33 0.00 0.00 43.42 40.51 3h1j n LEU 180 CO 0.43 -2.16 1.02 -0.70 -1.33 0.00 0.00 177.39 174.64 3h1j s GLU 181 N -1.12 3.70 -0.19 3.23 2.12 -1.26 -4.82 118.70 120.35 3h1j s GLU 181 Ca 0.64 2.30 -0.04 0.00 0.36 0.00 0.00 54.97 58.22 3h1j s GLU 181 Cb -0.85 -2.62 -0.02 0.00 0.26 0.00 0.00 34.13 30.90 3h1j s GLU 181 CO 0.57 -0.77 -0.02 0.08 -0.54 0.00 0.00 175.26 174.59 3h1j s VAL 182 N -1.24 3.80 0.74 3.70 1.01 -1.26 -0.29 120.40 126.86 3h1j s VAL 182 Ca 0.61 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 62.15 3h1j s VAL 182 Cb -0.41 -2.70 0.08 0.00 0.00 0.00 0.00 36.38 33.35 3h1j s VAL 182 CO 0.52 0.45 1.06 -2.16 0.00 0.00 0.00 175.10 174.97 3h1j s PRO 183 N 0.91 1.98 -0.35 2.72 0.04 -1.26 -4.97 135.00 134.07 3h1j s PRO 183 Ca 0.00 -0.31 -0.19 0.00 0.04 0.00 0.00 61.00 60.54 3h1j s PRO 183 Cb -0.14 -2.13 -0.00 0.00 0.04 0.00 0.00 34.50 32.26 3h1j s PRO 183 CO 0.02 -1.40 0.59 0.99 0.04 0.00 0.00 177.00 177.23 3h1j s THR 184 N -3.33 4.94 0.37 1.26 2.01 -1.26 -4.96 115.64 114.68 3h1j s THR 184 Ca 0.62 0.49 0.05 0.00 0.31 0.00 0.00 61.69 63.17 3h1j s THR 184 Cb -0.10 -4.03 -0.02 0.00 0.01 0.00 0.00 72.50 68.37 3h1j s THR 184 CO 0.46 -0.27 0.20 0.00 -0.69 0.00 0.00 174.62 174.32 3h1j n TYR 185 N 5.91 -0.22 -3.62 4.92 0.18 -1.26 -0.18 117.16 122.89 3h1j n TYR 185 Ca -0.03 -2.66 -0.02 0.00 1.88 0.00 0.00 57.90 57.08 3h1j n TYR 185 Cb 0.49 0.11 -0.04 0.00 -0.38 0.00 0.00 39.34 39.51 3h1j n TYR 185 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 3h1j s GLN 186 N -3.46 0.56 -1.20 -3.48 0.74 0.46 -4.98 119.66 108.29 3h1j s GLN 186 Ca 0.28 1.32 -0.22 0.00 0.05 0.00 0.00 55.36 56.79 3h1j s GLN 186 Cb 0.01 0.70 -0.06 0.00 1.10 0.00 0.00 33.01 34.76 3h1j s GLN 186 CO 0.20 -0.18 1.90 -0.06 -0.55 0.00 0.00 175.29 176.60 3h1j s PHE 187 N 2.62 2.07 -2.05 1.67 0.08 -1.26 -2.39 117.98 118.73 3h1j s PHE 187 Ca -0.06 0.16 0.10 0.00 0.12 0.00 0.00 56.93 57.25 3h1j s PHE 187 Cb -0.10 -4.11 0.40 0.00 -0.57 0.00 0.00 43.02 38.63 3h1j s PHE 187 CO -0.19 -1.30 1.29 1.33 -0.10 0.00 0.00 175.22 176.25 3h1j n VAL 188 N 7.60 0.23 -4.13 -0.44 0.24 -1.24 -4.92 118.33 115.66 3h1j n VAL 188 Ca 0.45 -0.25 -0.08 0.00 -2.04 0.00 0.00 64.34 62.42 3h1j n VAL 188 Cb 0.46 0.12 -0.03 0.00 -1.47 0.00 0.00 33.84 32.93 3h1j n VAL 188 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h1j n GLY 189 N 0.88 3.66 0.12 7.63 0.00 -0.02 -4.98 105.19 112.48 3h1j n GLY 189 Ca 0.09 -1.81 -0.21 0.00 0.00 0.00 0.00 46.02 44.09 3h1j n GLY 189 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h1j h ASP 190 N 0.72 0.46 -0.59 1.61 3.32 -2.02 -3.39 116.42 116.52 3h1j h ASP 190 Ca -0.10 -0.90 -0.29 0.00 0.02 0.00 0.00 57.03 55.76 3h1j h ASP 190 Cb 0.45 -0.15 -0.33 0.00 0.22 0.00 0.00 39.33 39.51 3h1j h ASP 190 CO 0.14 1.54 -0.94 -0.90 -1.72 0.00 0.00 179.24 177.36 3h1j n ASP 191 N -3.98 0.59 -3.33 6.45 5.75 -1.26 -5.01 116.55 115.77 3h1j n ASP 191 Ca -0.20 -2.46 -0.10 0.00 -0.01 0.00 0.00 54.79 52.03 3h1j n ASP 191 Cb 0.89 -0.12 -0.07 0.00 -1.03 0.00 0.00 41.12 40.79 3h1j n ASP 191 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3h1j s LEU 192 N -3.38 -0.68 0.05 -2.12 2.96 -1.26 -0.94 118.68 113.29 3h1j s LEU 192 Ca 0.24 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 3h1j s LEU 192 Cb 0.42 1.07 -0.04 0.00 0.50 0.00 0.00 46.19 48.13 3h1j s LEU 192 CO -0.02 -0.34 0.07 0.54 -1.32 0.00 0.00 176.35 175.29 3h1j s VAL 193 N 2.53 4.57 -0.09 1.68 0.11 0.26 -0.84 120.40 128.62 3h1j s VAL 193 Ca 0.11 -0.64 0.03 0.00 -2.93 0.00 0.00 61.98 58.56 3h1j s VAL 193 Cb -0.14 -3.16 0.01 0.00 -1.53 0.00 0.00 36.38 31.56 3h1j s VAL 193 CO -0.25 0.22 -0.20 -0.69 -3.33 0.00 0.00 175.10 170.85 3h1j s VAL 194 N -1.30 1.77 0.33 2.04 1.01 -1.00 -0.01 120.40 123.23 3h1j s VAL 194 Ca 0.27 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.48 3h1j s VAL 194 Cb -0.12 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 3h1j s VAL 194 CO 0.19 0.49 0.17 -0.69 0.00 0.00 0.00 175.10 175.26 3h1j s VAL 195 N 0.50 3.21 0.00 2.92 1.01 -0.77 -0.41 120.40 126.86 3h1j s VAL 195 Ca -0.16 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.20 3h1j s VAL 195 Cb -0.17 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.18 3h1j s VAL 195 CO 0.06 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.58