#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1k n HIS 2 N 0.00 0.00 0.31 6.34 -0.00 -1.26 -2.88 115.22 117.73 3h1k n HIS 2 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.85 3h1k n HIS 2 Cb 0.00 -0.44 0.36 0.00 -0.00 0.00 0.00 29.99 29.91 3h1k n HIS 2 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.34 175.43 3h1k h ASN 3 N 0.02 0.00 -0.21 4.39 2.35 -2.12 -3.08 115.58 116.93 3h1k h ASN 3 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h1k h ASN 3 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 3h1k h ASN 3 CO 0.00 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.25 3h1k n ASP 4 N -2.92 1.28 -4.32 5.81 10.43 -1.14 -4.85 116.55 120.84 3h1k n ASP 4 Ca 0.03 -2.03 -0.32 0.00 2.57 0.00 0.00 54.79 55.04 3h1k n ASP 4 Cb 0.44 -0.19 -0.16 0.00 1.84 0.00 0.00 41.12 43.05 3h1k n ASP 4 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3h1k s VAL 5 N -1.69 2.38 0.02 2.53 1.01 -1.17 -5.03 120.40 118.44 3h1k s VAL 5 Ca 0.14 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.19 3h1k s VAL 5 Cb 0.08 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 3h1k s VAL 5 CO 0.09 0.57 -0.06 0.42 0.00 0.00 0.00 175.10 176.12 3h1k s THR 6 N -0.17 0.40 -0.13 3.92 -4.23 -1.26 -5.08 115.64 109.09 3h1k s THR 6 Ca -0.03 -0.61 -0.29 0.00 -1.18 0.00 0.00 61.69 59.58 3h1k s THR 6 Cb -0.14 -0.42 -0.04 0.00 1.34 0.00 0.00 72.50 73.25 3h1k s THR 6 CO 0.04 -0.15 1.60 -0.69 -0.54 0.00 0.00 174.62 174.87 3h1k s VAL 7 N -0.74 3.71 0.82 2.29 1.01 -1.26 -4.98 120.40 121.26 3h1k s VAL 7 Ca -0.05 0.84 -0.11 0.00 0.00 0.00 0.00 61.98 62.66 3h1k s VAL 7 Cb -0.06 -3.61 0.05 0.00 0.00 0.00 0.00 36.38 32.76 3h1k s VAL 7 CO -0.00 -0.15 -0.08 -2.65 0.00 0.00 0.00 175.10 172.21 3h1k n PRO 8 N 7.27 -1.08 -3.36 2.72 -0.02 -1.26 -4.93 135.00 134.36 3h1k n PRO 8 Ca 0.18 -0.32 -0.39 0.00 -2.02 0.00 0.00 63.50 60.95 3h1k n PRO 8 Cb 0.44 -1.24 -0.08 0.00 -0.02 0.00 0.00 33.50 32.60 3h1k n PRO 8 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3h1k s ASP 9 N -1.47 6.41 -0.14 2.55 -1.08 -1.26 -4.93 116.67 116.75 3h1k s ASP 9 Ca 0.24 0.49 0.16 0.00 -0.52 0.00 0.00 52.55 52.92 3h1k s ASP 9 Cb -0.02 -2.24 0.68 0.00 -1.46 0.00 0.00 42.92 39.89 3h1k s ASP 9 CO 0.27 -0.13 1.60 0.49 0.52 0.00 0.00 175.17 177.92 3h1k n PHE 10 N 4.81 1.46 -0.31 -5.34 3.01 -1.26 -4.73 117.46 115.09 3h1k n PHE 10 Ca -0.07 -0.67 -0.08 0.00 1.01 0.00 0.00 57.45 57.63 3h1k n PHE 10 Cb 0.51 -0.30 -0.07 0.00 -0.01 0.00 0.00 39.48 39.60 3h1k n PHE 10 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3h1k n SER 11 N 0.70 -0.78 -0.30 4.37 7.64 -1.26 0.49 113.62 124.48 3h1k n SER 11 Ca 0.24 1.31 0.20 0.00 1.01 0.00 0.00 58.87 61.64 3h1k n SER 11 Cb 0.93 -0.17 0.48 0.00 -1.01 0.00 0.00 64.21 64.44 3h1k n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h1k h ALA 12 N 0.39 2.14 0.00 -0.43 0.00 -2.04 -2.64 119.26 116.67 3h1k h ALA 12 Ca 0.12 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3h1k h ALA 12 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3h1k h ALA 12 CO -0.69 -0.50 -1.13 0.66 0.00 0.00 0.00 179.25 177.58 3h1k n TYR 13 N -4.61 0.10 -1.48 0.00 4.01 0.18 -4.98 117.16 110.37 3h1k n TYR 13 Ca 0.23 0.03 -0.32 0.00 -0.16 0.00 0.00 57.90 57.68 3h1k n TYR 13 Cb 0.78 -0.27 0.07 0.00 -0.31 0.00 0.00 39.34 39.61 3h1k n TYR 13 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3h1k s ARG 14 N -3.16 2.50 0.42 -0.72 0.52 -0.48 -5.00 118.95 113.04 3h1k s ARG 14 Ca 0.04 1.26 -0.22 0.00 -0.52 0.00 0.00 55.73 56.29 3h1k s ARG 14 Cb 0.15 -1.92 -0.10 0.00 0.52 0.00 0.00 34.95 33.60 3h1k s ARG 14 CO 0.84 -1.46 0.99 1.03 0.02 0.00 0.00 175.30 176.72 3h1k s ARG 15 N -4.55 4.16 0.36 3.54 0.52 -1.26 -4.94 118.95 116.78 3h1k s ARG 15 Ca 0.64 1.31 0.17 0.00 -0.52 0.00 0.00 55.73 57.32 3h1k s ARG 15 Cb -0.19 -2.34 1.22 0.00 0.52 0.00 0.00 34.95 34.16 3h1k s ARG 15 CO 0.50 -0.11 1.59 1.49 0.02 0.00 0.00 175.30 178.79 3h1k h GLU 16 N 2.16 0.06 0.07 3.54 4.81 -1.98 -2.97 114.58 120.26 3h1k h GLU 16 Ca -0.49 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3h1k h GLU 16 Cb 1.20 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3h1k h GLU 16 CO 0.61 0.04 -0.03 -0.44 -0.73 0.00 0.00 179.01 178.46 3h1k h ASP 17 N 0.06 -0.07 0.00 1.04 3.32 -2.00 -3.35 116.42 115.42 3h1k h ASP 17 Ca 0.79 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 57.44 3h1k h ASP 17 Cb 2.00 0.02 0.02 0.00 0.22 0.00 0.00 39.33 41.59 3h1k h ASP 17 CO -0.76 0.14 2.67 1.33 -1.72 0.00 0.00 179.24 180.91 3h1k n VAL 18 N -3.34 2.66 0.00 -1.35 0.24 -1.12 -3.45 118.33 111.97 3h1k n VAL 18 Ca -0.01 -1.58 0.00 0.00 -2.04 0.00 0.00 64.34 60.71 3h1k n VAL 18 Cb 0.03 -2.18 0.00 0.00 -1.47 0.00 0.00 33.84 30.22 3h1k n VAL 18 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 3h1k n MET 19 N 4.06 1.21 -3.31 7.34 0.00 -1.21 -4.39 117.12 120.81 3h1k n MET 19 Ca 0.48 0.00 -0.44 0.00 0.00 0.00 0.00 57.70 57.74 3h1k n MET 19 Cb 0.16 -0.96 -0.07 0.00 0.00 0.00 0.00 33.22 32.35 3h1k n MET 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3h1k s ASP 20 N -2.07 6.17 0.00 6.12 2.15 -1.22 -4.94 116.67 122.87 3h1k s ASP 20 Ca 0.00 -1.29 0.00 0.00 0.43 0.00 0.00 52.55 51.69 3h1k s ASP 20 Cb 0.00 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 3h1k s ASP 20 CO 0.00 -0.76 0.00 0.00 -0.17 0.00 0.00 175.17 174.24 3h1k n ALA 21 N 5.52 1.49 -1.34 3.66 0.00 -1.26 -0.47 120.51 128.10 3h1k n ALA 21 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3h1k n ALA 21 Cb 0.44 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3h1k n ALA 21 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3h1k n THR 22 N 1.11 0.00 -5.19 0.00 -2.24 -1.26 -5.07 114.28 101.63 3h1k n THR 22 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 3h1k n THR 22 Cb 0.00 0.66 -0.17 0.00 -2.10 0.00 0.00 70.33 68.72 3h1k n THR 22 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3h1k s THR 23 N 0.00 2.01 -0.13 4.28 2.01 0.38 -5.08 115.64 119.11 3h1k s THR 23 Ca 0.00 -1.00 -0.29 0.00 0.31 0.00 0.00 61.69 60.72 3h1k s THR 23 Cb 0.00 -1.74 -0.06 0.00 0.01 0.00 0.00 72.50 70.71 3h1k s THR 23 CO 0.00 0.55 2.13 -0.55 -0.69 0.00 0.00 174.62 176.06 3h1k s SER 24 N 0.30 5.81 0.51 3.53 0.15 -1.26 -4.83 113.70 117.91 3h1k s SER 24 Ca -0.17 2.16 0.20 0.00 0.70 0.00 0.00 55.95 58.84 3h1k s SER 24 Cb -0.17 -2.52 1.34 0.00 -1.71 0.00 0.00 66.02 62.96 3h1k s SER 24 CO 0.08 -1.64 2.11 0.77 1.20 0.00 0.00 173.24 175.77 3h1k h SER 25 N 13.47 0.00 0.00 5.45 4.64 -1.96 -2.89 113.55 132.26 3h1k h SER 25 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3h1k h SER 25 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3h1k h SER 25 CO 0.95 0.08 0.10 0.00 -0.87 0.00 0.00 176.83 177.09 3h1k n GLN 26 N -4.17 0.00 -0.09 4.77 1.13 -1.26 -1.07 117.38 116.69 3h1k n GLN 26 Ca -0.03 0.38 -0.23 0.00 -1.94 0.00 0.00 57.00 55.18 3h1k n GLN 26 Cb 0.16 -1.60 -0.12 0.00 0.11 0.00 0.00 30.24 28.79 3h1k n GLN 26 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3h1k n THR 27 N -1.38 1.59 1.17 5.09 -2.24 -1.09 -4.18 114.28 113.24 3h1k n THR 27 Ca 0.00 -0.35 0.13 0.00 -2.27 0.00 0.00 64.05 61.56 3h1k n THR 27 Cb 0.10 -1.83 0.65 0.00 -2.10 0.00 0.00 70.33 67.15 3h1k n THR 27 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3h1k n SER 28 N -3.98 0.00 0.01 3.42 3.41 -0.69 -4.14 113.62 111.65 3h1k n SER 28 Ca -0.40 0.10 -0.01 0.00 -0.26 0.00 0.00 58.87 58.30 3h1k n SER 28 Cb 0.87 -0.36 -0.01 0.00 -0.26 0.00 0.00 64.21 64.45 3h1k n SER 28 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3h1k h SER 29 N 0.00 -0.14 -1.01 4.04 4.64 -1.26 -1.29 113.55 118.52 3h1k h SER 29 Ca 0.00 0.01 0.33 0.00 -0.47 0.00 0.00 61.79 61.67 3h1k h SER 29 Cb 0.33 0.05 -0.15 0.00 -0.31 0.00 0.00 62.40 62.32 3h1k h SER 29 CO 0.00 -0.05 0.57 -0.33 -0.87 0.00 0.00 176.83 176.16 3h1k h GLU 30 N -0.07 0.28 0.46 4.77 5.08 -1.84 -1.42 114.58 121.85 3h1k h GLU 30 Ca -0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3h1k h GLU 30 Cb 0.07 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3h1k h GLU 30 CO -0.03 0.19 -0.22 -0.44 -1.00 0.00 0.00 179.01 177.51 3h1k h ASP 31 N 0.29 -0.53 -0.97 1.42 3.45 -1.68 0.93 116.42 119.34 3h1k h ASP 31 Ca 0.75 0.02 0.32 0.00 0.43 0.00 0.00 57.03 58.54 3h1k h ASP 31 Cb 1.74 0.14 -0.18 0.00 -0.56 0.00 0.00 39.33 40.47 3h1k h ASP 31 CO -0.61 -0.33 0.21 0.54 -1.57 0.00 0.00 179.24 177.48 3h1k n ARG 32 N -3.95 -0.07 -0.02 3.56 1.74 -0.53 -1.46 116.66 115.94 3h1k n ARG 32 Ca -0.08 1.40 -0.08 0.00 -0.77 0.00 0.00 57.85 58.32 3h1k n ARG 32 Cb 0.24 -2.34 -0.07 0.00 -1.02 0.00 0.00 32.46 29.28 3h1k n ARG 32 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3h1k h LYS 33 N 0.00 -0.08 -1.71 5.56 1.57 -1.42 -3.27 116.57 117.21 3h1k h LYS 33 Ca 0.68 0.01 0.50 0.00 -1.87 0.00 0.00 60.65 59.96 3h1k h LYS 33 Cb 1.58 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.84 3h1k h LYS 33 CO -0.85 0.39 1.26 0.78 -0.57 0.00 0.00 179.45 180.46 3h1k h GLY 34 N -0.96 0.00 0.03 3.86 0.00 0.35 0.25 103.07 106.60 3h1k h GLY 34 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 3h1k h GLY 34 CO 0.01 0.00 -0.01 -2.75 0.00 0.00 0.00 176.54 173.79 3h1k h PHE 35 N 0.00 -0.04 -0.87 5.60 3.57 -1.33 -2.42 116.94 121.45 3h1k h PHE 35 Ca 0.81 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 62.49 3h1k h PHE 35 Cb 3.33 0.01 -0.11 0.00 2.79 0.00 0.00 35.95 41.97 3h1k h PHE 35 CO 0.00 -0.02 0.42 0.77 -2.23 0.00 0.00 178.31 177.24 3h1k h SER 36 N -0.09 0.44 0.34 0.41 0.02 -1.37 1.17 113.55 114.47 3h1k h SER 36 Ca -0.00 0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3h1k h SER 36 Cb 0.03 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 3h1k h SER 36 CO 0.01 0.12 -0.01 1.88 -1.14 0.00 0.00 176.83 177.69 3h1k h TYR 37 N 0.52 0.00 0.02 3.45 0.99 -0.65 0.30 116.97 121.60 3h1k h TYR 37 Ca 0.51 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 61.17 3h1k h TYR 37 Cb 0.85 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.57 3h1k h TYR 37 CO -0.11 0.01 -0.34 1.25 -0.00 0.00 0.00 178.16 178.96 3h1k h LEU 38 N 0.00 0.07 -0.59 3.88 6.46 0.19 -0.96 115.31 124.35 3h1k h LEU 38 Ca -0.00 -0.91 0.08 0.00 -0.12 0.00 0.00 57.88 56.93 3h1k h LEU 38 Cb 0.18 -0.02 -0.10 0.00 -0.73 0.00 0.00 40.66 39.98 3h1k h LEU 38 CO 0.00 1.15 -0.49 0.58 -0.62 0.00 0.00 178.44 179.06 3h1k h VAL 39 N -0.90 0.05 0.02 1.05 2.07 -0.11 0.69 116.25 119.11 3h1k h VAL 39 Ca -0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3h1k h VAL 39 Cb 1.15 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3h1k h VAL 39 CO -0.01 0.00 -0.05 0.74 0.02 0.00 0.00 177.57 178.27 3h1k h THR 40 N -0.25 0.00 -0.92 2.57 2.02 -1.07 0.23 112.91 115.49 3h1k h THR 40 Ca 0.15 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.51 3h1k h THR 40 Cb 0.56 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.80 3h1k h THR 40 CO -0.70 0.00 -0.25 0.00 0.37 0.00 0.00 175.52 174.94 3h1k n ALA 41 N -2.47 0.18 0.25 6.16 0.00 -0.37 0.17 120.51 124.43 3h1k n ALA 41 Ca -0.01 1.00 -0.16 0.00 0.00 0.00 0.00 53.44 54.28 3h1k n ALA 41 Cb 0.04 -0.58 -0.08 0.00 0.00 0.00 0.00 19.45 18.83 3h1k n ALA 41 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3h1k h THR 42 N 0.00 0.33 -1.27 0.00 2.02 0.95 -2.08 112.91 112.86 3h1k h THR 42 Ca 0.43 0.00 0.37 0.00 0.77 0.00 0.00 66.41 67.97 3h1k h THR 42 Cb 0.66 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 3h1k h THR 42 CO -0.95 0.00 0.91 0.00 0.37 0.00 0.00 175.52 175.85 3h1k h ALA 43 N -0.26 3.16 0.03 6.16 0.00 0.31 0.29 119.26 128.95 3h1k h ALA 43 Ca -0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3h1k h ALA 43 Cb 0.63 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3h1k h ALA 43 CO -0.01 -1.53 -0.02 0.00 0.00 0.00 0.00 179.25 177.70 3h1k h VAL 45 N -0.56 1.08 -0.05 0.00 2.07 -0.19 0.49 116.25 119.10 3h1k h VAL 45 Ca -0.00 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3h1k h VAL 45 Cb 0.52 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3h1k h VAL 45 CO 0.01 0.17 0.01 0.00 0.02 0.00 0.00 177.57 177.78 3h1k h ALA 46 N 1.56 0.05 0.78 1.67 0.00 -0.81 -1.70 119.26 120.80 3h1k h ALA 46 Ca 0.33 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 3h1k h ALA 46 Cb 0.14 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.94 3h1k h ALA 46 CO -0.11 -0.47 -0.37 1.15 0.00 0.00 0.00 179.25 179.45 3h1k h THR 47 N 0.04 0.00 -0.63 0.00 2.02 -0.05 -3.16 112.91 111.13 3h1k h THR 47 Ca 0.02 -0.04 0.06 0.00 0.77 0.00 0.00 66.41 67.22 3h1k h THR 47 Cb 0.01 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.34 3h1k h THR 47 CO -0.02 0.00 -0.37 0.00 0.37 0.00 0.00 175.52 175.50 3h1k n ALA 48 N -2.55 -0.41 -0.46 6.16 0.00 0.16 -0.54 120.51 122.88 3h1k n ALA 48 Ca -0.13 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3h1k n ALA 48 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.78 3h1k n ALA 48 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3h1k n TYR 49 N -4.78 0.00 -0.32 0.00 9.36 -0.65 0.17 117.16 120.93 3h1k n TYR 49 Ca 0.01 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.19 3h1k n TYR 49 Cb 0.16 -0.27 0.00 0.00 -0.63 0.00 0.00 39.34 38.61 3h1k n TYR 49 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3h1k h ALA 50 N -1.56 -0.06 -0.01 2.98 0.00 -1.07 -0.25 119.26 119.29 3h1k h ALA 50 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3h1k h ALA 50 Cb 0.00 1.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3h1k h ALA 50 CO 0.00 -0.71 -0.31 0.00 0.00 0.00 0.00 179.25 178.22 3h1k h ALA 51 N 1.06 -0.75 -0.77 0.00 0.00 -0.30 0.20 119.26 118.69 3h1k h ALA 51 Ca 0.27 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.29 3h1k h ALA 51 Cb 0.56 0.78 -0.15 0.00 0.00 0.00 0.00 17.79 18.98 3h1k h ALA 51 CO -0.87 -0.85 -0.20 -0.22 0.00 0.00 0.00 179.25 177.11 3h1k h LYS 52 N -0.38 -0.01 0.50 0.00 3.11 0.58 -0.53 116.57 119.84 3h1k h LYS 52 Ca 0.01 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.83 3h1k h LYS 52 Cb 0.42 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.65 3h1k h LYS 52 CO -0.22 -0.01 -0.32 -0.91 -2.81 0.00 0.00 179.45 175.19 3h1k h ASN 53 N -0.01 -0.82 -1.10 4.20 2.35 -0.02 0.30 115.58 120.48 3h1k h ASN 53 Ca 0.36 0.05 0.33 0.00 -0.55 0.00 0.00 56.30 56.49 3h1k h ASN 53 Cb 0.56 0.24 -0.12 0.00 0.05 0.00 0.00 38.32 39.06 3h1k h ASN 53 CO -0.79 -0.49 0.69 0.58 -1.65 0.00 0.00 177.43 175.76 3h1k h VAL 54 N -0.78 0.35 -0.11 2.81 2.07 0.01 0.27 116.25 120.87 3h1k h VAL 54 Ca -0.07 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 3h1k h VAL 54 Cb 0.63 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3h1k h VAL 54 CO 0.06 0.06 -0.15 0.58 0.02 0.00 0.00 177.57 178.13 3h1k h VAL 55 N 0.30 1.38 -0.30 2.57 2.07 -0.82 -1.79 116.25 119.66 3h1k h VAL 55 Ca 0.70 -1.38 0.05 0.00 0.82 0.00 0.00 66.70 66.89 3h1k h VAL 55 Cb 1.83 2.03 -0.04 0.00 -1.52 0.00 0.00 31.29 33.59 3h1k h VAL 55 CO -0.43 0.40 0.03 0.74 0.02 0.00 0.00 177.57 178.33 3h1k h THR 56 N -0.13 0.82 -0.59 2.57 2.02 0.16 0.10 112.91 117.85 3h1k h THR 56 Ca 0.01 -0.04 0.11 0.00 0.77 0.00 0.00 66.41 67.26 3h1k h THR 56 Cb 0.71 0.67 -0.09 0.00 -1.74 0.00 0.00 68.15 67.70 3h1k h THR 56 CO 0.04 0.02 0.09 1.56 0.37 0.00 0.00 175.52 177.60 3h1k h GLN 57 N 0.13 0.21 -0.07 6.66 4.20 -0.62 0.58 115.11 126.20 3h1k h GLN 57 Ca 0.14 -0.01 -0.20 0.00 0.06 0.00 0.00 58.65 58.64 3h1k h GLN 57 Cb 0.17 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 3h1k h GLN 57 CO -0.22 0.14 -0.79 0.74 -0.67 0.00 0.00 178.83 178.03 3h1k h PHE 58 N 0.21 0.65 -0.37 2.96 0.05 -0.72 -2.96 116.94 116.77 3h1k h PHE 58 Ca 0.31 -0.30 -0.09 0.00 3.82 0.00 0.00 57.97 61.71 3h1k h PHE 58 Cb 0.47 -0.09 -0.01 0.00 2.00 0.00 0.00 35.95 38.32 3h1k h PHE 58 CO -0.28 1.09 -0.11 0.82 -0.18 0.00 0.00 178.31 179.65 3h1k h ILE 59 N 0.31 1.28 0.00 -0.55 1.08 -0.19 -1.04 117.51 118.40 3h1k h ILE 59 Ca -0.05 -1.20 0.00 0.00 -0.39 0.00 0.00 64.86 63.22 3h1k h ILE 59 Cb 1.39 1.29 0.00 0.00 -3.07 0.00 0.00 36.82 36.43 3h1k h ILE 59 CO 0.14 0.40 0.00 -1.54 -0.69 0.00 0.00 178.15 176.46 3h1k n SER 60 N -4.36 0.61 -0.36 1.72 3.41 0.14 -2.34 113.62 112.43 3h1k n SER 60 Ca -0.02 0.68 -0.00 0.00 -0.26 0.00 0.00 58.87 59.27 3h1k n SER 60 Cb 0.36 -0.80 0.13 0.00 -0.26 0.00 0.00 64.21 63.65 3h1k n SER 60 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3h1k h SER 61 N 0.00 1.07 1.78 4.04 0.87 -1.01 -2.50 113.55 117.80 3h1k h SER 61 Ca 0.00 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 3h1k h SER 61 Cb 0.26 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3h1k h SER 61 CO 0.00 0.74 -0.13 -0.07 -0.53 0.00 0.00 176.83 176.84 3h1k h LEU 62 N 1.24 0.00-10.26 2.23 3.38 -1.52 -3.46 115.31 106.93 3h1k h LEU 62 Ca 0.38 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.96 3h1k h LEU 62 Cb -0.02 0.00 0.21 0.00 0.09 0.00 0.00 40.66 40.94 3h1k h LEU 62 CO -0.12 0.13 0.03 -0.94 0.09 0.00 0.00 178.44 177.63 3h1k s SER 63 N -6.24 -0.13 0.36 -0.43 1.04 -0.94 -4.91 113.70 102.45 3h1k s SER 63 Ca 0.06 0.62 -0.28 0.00 0.48 0.00 0.00 55.95 56.83 3h1k s SER 63 Cb 0.06 -0.84 -0.12 0.00 0.10 0.00 0.00 66.02 65.23 3h1k s SER 63 CO 0.68 -4.77 1.32 0.00 0.98 0.00 0.00 173.24 171.45 3h1k n ALA 64 N -5.20 1.48 -2.18 5.32 0.00 -1.26 -5.00 120.51 113.67 3h1k n ALA 64 Ca 0.14 0.34 -0.22 0.00 0.00 0.00 0.00 53.44 53.71 3h1k n ALA 64 Cb 0.60 -2.28 0.02 0.00 0.00 0.00 0.00 19.45 17.79 3h1k n ALA 64 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3h1k s SER 65 N -0.31 5.60 0.27 0.00 1.04 -1.26 -4.87 113.70 114.17 3h1k s SER 65 Ca 0.56 0.18 -0.03 0.00 0.48 0.00 0.00 55.95 57.13 3h1k s SER 65 Cb -0.54 -1.27 0.55 0.00 0.10 0.00 0.00 66.02 64.85 3h1k s SER 65 CO 0.62 -0.89 1.41 0.00 0.98 0.00 0.00 173.24 175.36 3h1k n ALA 66 N -2.20 0.33 0.28 5.32 0.00 -1.26 -1.20 120.51 121.79 3h1k n ALA 66 Ca 0.04 0.98 -0.13 0.00 0.00 0.00 0.00 53.44 54.33 3h1k n ALA 66 Cb 0.58 -0.65 -0.06 0.00 0.00 0.00 0.00 19.45 19.32 3h1k n ALA 66 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3h1k h ASP 67 N 0.00 -0.65 -0.36 0.00 2.03 -2.00 -2.17 116.42 113.27 3h1k h ASP 67 Ca 0.49 -0.01 0.11 0.00 -0.73 0.00 0.00 57.03 56.89 3h1k h ASP 67 Cb 0.89 0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 39.54 3h1k h ASP 67 CO -0.89 -0.25 0.34 0.58 -1.03 0.00 0.00 179.24 177.99 3h1k h VAL 68 N -1.16 0.53 0.00 4.15 2.07 -1.83 0.32 116.25 120.32 3h1k h VAL 68 Ca -0.08 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.33 3h1k h VAL 68 Cb 0.61 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3h1k h VAL 68 CO 0.13 0.00 -0.55 -0.07 0.02 0.00 0.00 177.57 177.09 3h1k h LEU 69 N 0.00 0.00 0.27 2.57 3.38 -1.05 -2.84 115.31 117.64 3h1k h LEU 69 Ca 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3h1k h LEU 69 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3h1k h LEU 69 CO -0.00 0.55 -0.13 0.00 0.09 0.00 0.00 178.44 178.95 3h1k h ALA 70 N 1.45 -0.36 0.00 1.53 0.00 0.29 -2.61 119.26 119.56 3h1k h ALA 70 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3h1k h ALA 70 Cb 1.27 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3h1k h ALA 70 CO 0.07 -0.48 0.00 1.28 0.00 0.00 0.00 179.25 180.12 3h1k n LEU 71 N -5.07 0.00 0.16 0.00 4.77 -1.00 -3.63 117.00 112.23 3h1k n LEU 71 Ca -0.09 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.72 3h1k n LEU 71 Cb 0.26 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.25 3h1k n LEU 71 CO 0.28 0.00 0.52 -1.28 -1.33 0.00 0.00 177.39 175.58 3h1k h SER 72 N 0.00 -1.55 -1.77 -1.43 0.87 -1.20 -3.41 113.55 105.05 3h1k h SER 72 Ca 0.00 0.15 -0.59 0.00 -1.23 0.00 0.00 61.79 60.13 3h1k h SER 72 Cb 0.00 0.56 -0.10 0.00 -0.44 0.00 0.00 62.40 62.41 3h1k h SER 72 CO 0.00 -0.59 -0.58 -1.59 -0.53 0.00 0.00 176.83 173.54 3h1k s LYS 73 N -5.80 2.10 -0.18 2.24 -2.85 -1.24 -4.80 119.74 109.21 3h1k s LYS 73 Ca -0.17 -1.84 -0.15 0.00 -1.00 0.00 0.00 55.97 52.80 3h1k s LYS 73 Cb 0.06 -1.89 0.05 0.00 -2.06 0.00 0.00 37.83 33.98 3h1k s LYS 73 CO 0.61 0.02 0.47 -1.50 0.10 0.00 0.00 175.35 175.05 3h1k s ILE 74 N -2.58 -0.00 0.13 3.79 2.07 -0.98 -5.03 121.20 118.61 3h1k s ILE 74 Ca 0.37 0.01 0.05 0.00 -1.41 0.00 0.00 60.65 59.67 3h1k s ILE 74 Cb 0.03 -0.66 -0.04 0.00 0.13 0.00 0.00 42.46 41.92 3h1k s ILE 74 CO 0.20 0.01 0.05 -1.83 -1.91 0.00 0.00 174.94 171.46 3h1k s GLU 75 N 0.44 2.66 -0.06 3.50 -1.05 -1.26 -1.89 118.70 121.03 3h1k s GLU 75 Ca -0.02 -0.90 0.02 0.00 -0.15 0.00 0.00 54.97 53.92 3h1k s GLU 75 Cb -0.04 -2.55 0.02 0.00 -0.44 0.00 0.00 34.13 31.12 3h1k s GLU 75 CO -0.02 0.51 -0.09 0.42 0.95 0.00 0.00 175.26 177.02 3h1k s ILE 76 N -1.56 0.95 -0.23 1.83 1.01 0.35 -4.96 121.20 118.59 3h1k s ILE 76 Ca 0.28 -0.35 -0.29 0.00 0.00 0.00 0.00 60.65 60.29 3h1k s ILE 76 Cb -0.11 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.46 3h1k s ILE 76 CO 0.20 0.32 1.14 -0.75 0.00 0.00 0.00 174.94 175.86 3h1k s LYS 77 N 0.86 4.20 0.00 2.79 2.20 -1.26 -1.74 119.74 126.80 3h1k s LYS 77 Ca -0.11 1.42 0.00 0.00 -0.36 0.00 0.00 55.97 56.91 3h1k s LYS 77 Cb -0.15 -3.72 0.00 0.00 -1.51 0.00 0.00 37.83 32.45 3h1k s LYS 77 CO 0.01 -0.73 0.38 1.28 -0.36 0.00 0.00 175.35 175.93 3h1k n LEU 78 N 6.60 0.79 -0.08 5.43 4.77 0.44 -2.34 117.00 132.62 3h1k n LEU 78 Ca 0.13 -0.40 -0.11 0.00 -0.03 0.00 0.00 56.01 55.61 3h1k n LEU 78 Cb 0.46 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 3h1k n LEU 78 CO 0.55 0.19 -1.01 -1.20 -1.33 0.00 0.00 177.39 174.59 3h1k n SER 79 N 0.16 2.67 -0.49 -1.43 7.64 -1.26 -4.39 113.62 116.52 3h1k n SER 79 Ca 0.00 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.80 3h1k n SER 79 Cb 0.19 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 3h1k n SER 79 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3h1k n ASP 80 N -2.91 0.73 -3.57 6.43 -0.08 -0.99 -4.47 116.55 111.69 3h1k n ASP 80 Ca -0.27 -1.49 -0.26 0.00 -1.51 0.00 0.00 54.79 51.26 3h1k n ASP 80 Cb 0.81 -0.37 -0.16 0.00 2.34 0.00 0.00 41.12 43.75 3h1k n ASP 80 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3h1k s ILE 81 N -1.01 -0.12 0.62 5.18 1.01 -1.26 -4.98 121.20 120.64 3h1k s ILE 81 Ca 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 60.65 60.30 3h1k s ILE 81 Cb 0.00 -0.69 0.13 0.00 0.01 0.00 0.00 42.46 41.91 3h1k s ILE 81 CO 0.00 -0.38 0.85 -0.81 0.00 0.00 0.00 174.94 174.59 3h1k n PRO 82 N 5.28 -0.32 -3.15 2.79 -0.04 -1.26 -4.82 135.00 133.48 3h1k n PRO 82 Ca -0.06 -1.87 -0.41 0.00 -0.04 0.00 0.00 63.50 61.12 3h1k n PRO 82 Cb 0.47 -0.70 -0.07 0.00 -0.04 0.00 0.00 33.50 33.17 3h1k n PRO 82 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3h1k s GLU 83 N -4.72 4.02 0.00 0.54 2.02 -1.25 -3.97 118.70 115.35 3h1k s GLU 83 Ca 0.52 0.39 0.00 0.00 0.02 0.00 0.00 54.97 55.91 3h1k s GLU 83 Cb -0.02 -3.68 0.00 0.00 0.10 0.00 0.00 34.13 30.53 3h1k s GLU 83 CO 0.36 -0.45 0.00 0.41 0.02 0.00 0.00 175.26 175.60 3h1k n GLY 84 N 4.32 1.60 3.30 -1.39 0.00 -0.98 -4.72 105.19 107.32 3h1k n GLY 84 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 3h1k n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1k s LYS 85 N -0.57 1.67 0.03 1.61 -0.14 -1.25 -4.97 119.74 116.12 3h1k s LYS 85 Ca 0.00 -1.01 0.06 0.00 -1.36 0.00 0.00 55.97 53.66 3h1k s LYS 85 Cb 0.00 -1.79 -0.03 0.00 -1.68 0.00 0.00 37.83 34.33 3h1k s LYS 85 CO 0.00 0.47 -0.17 1.21 -0.76 0.00 0.00 175.35 176.10 3h1k s ASN 86 N -1.11 3.88 -0.04 2.83 2.47 -1.26 -4.19 114.94 117.51 3h1k s ASN 86 Ca 0.10 -0.38 0.02 0.00 0.42 0.00 0.00 52.86 53.02 3h1k s ASN 86 Cb -0.09 -0.67 0.01 0.00 -1.45 0.00 0.00 41.25 39.05 3h1k s ASN 86 CO 0.02 0.27 -0.09 -0.69 -3.72 0.00 0.00 177.10 172.88 3h1k s VAL 87 N -0.90 0.85 -0.02 -5.21 1.01 -1.26 -5.08 120.40 109.78 3h1k s VAL 87 Ca 0.14 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.80 3h1k s VAL 87 Cb -0.11 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 3h1k s VAL 87 CO 0.05 0.28 -0.04 0.00 0.00 0.00 0.00 175.10 175.39 3h1k s ALA 88 N 0.56 3.10 0.00 5.51 0.00 -1.26 -3.85 121.76 125.82 3h1k s ALA 88 Ca -0.10 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3h1k s ALA 88 Cb -0.13 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 21.76 3h1k s ALA 88 CO 0.02 0.61 0.00 1.19 0.00 0.00 0.00 175.76 177.58 3h1k n PHE 89 N 1.70 0.00 -3.66 0.00 3.01 -0.81 -4.94 117.46 112.76 3h1k n PHE 89 Ca -0.16 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.09 3h1k n PHE 89 Cb 0.53 0.00 -0.18 0.00 -0.01 0.00 0.00 39.48 39.82 3h1k n PHE 89 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 3h1k s LYS 90 N 2.77 -0.03 -0.01 -1.08 2.20 -1.26 -3.32 119.74 119.00 3h1k s LYS 90 Ca 0.00 0.28 0.01 0.00 -0.36 0.00 0.00 55.97 55.90 3h1k s LYS 90 Cb 0.00 -0.78 0.01 0.00 -1.51 0.00 0.00 37.83 35.55 3h1k s LYS 90 CO 0.00 -0.39 -0.04 -0.46 -0.36 0.00 0.00 175.35 174.10 3h1k s TRP 91 N 2.16 0.44 -1.36 4.03 -0.00 -0.60 -4.84 118.94 118.76 3h1k s TRP 91 Ca 0.04 -0.08 -0.17 0.00 -0.00 0.00 0.00 56.10 55.90 3h1k s TRP 91 Cb -0.13 -0.35 0.17 0.00 -0.00 0.00 0.00 33.47 33.16 3h1k s TRP 91 CO -0.04 -0.06 0.42 0.54 -0.00 0.00 0.00 176.95 177.81 3h1k n ARG 92 N 3.37 -0.80 0.00 5.86 1.74 -1.26 0.08 116.66 125.65 3h1k n ARG 92 Ca -0.18 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 3h1k n ARG 92 Cb 0.56 -3.39 0.00 0.00 -1.02 0.00 0.00 32.46 28.60 3h1k n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h1k n GLY 93 N -0.96 2.31 3.75 -0.13 0.00 -1.26 -5.00 105.19 103.90 3h1k n GLY 93 Ca 0.07 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 3h1k n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1k s LYS 94 N 0.00 4.71 0.79 1.61 1.02 0.11 -5.01 119.74 122.98 3h1k s LYS 94 Ca 0.00 1.36 -0.14 0.00 0.02 0.00 0.00 55.97 57.21 3h1k s LYS 94 Cb 0.00 -3.31 0.06 0.00 -0.52 0.00 0.00 37.83 34.06 3h1k s LYS 94 CO 0.00 0.42 1.12 -2.30 -0.92 0.00 0.00 175.35 173.67 3h1k n PRO 95 N 2.00 0.25 -4.53 -1.68 -0.02 -1.26 -1.56 135.00 128.20 3h1k n PRO 95 Ca -0.02 0.16 -0.28 0.00 -2.02 0.00 0.00 63.50 61.34 3h1k n PRO 95 Cb 0.48 -2.37 -0.17 0.00 -0.02 0.00 0.00 33.50 31.43 3h1k n PRO 95 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3h1k s LEU 96 N -4.89 1.74 -0.20 2.45 2.96 -1.21 0.31 118.68 119.85 3h1k s LEU 96 Ca 0.73 -0.42 -0.13 0.00 -0.22 0.00 0.00 54.13 54.09 3h1k s LEU 96 Cb -0.30 -1.08 -0.05 0.00 0.50 0.00 0.00 46.19 45.26 3h1k s LEU 96 CO 0.51 0.03 0.25 -0.36 -1.32 0.00 0.00 176.35 175.46 3h1k s PHE 97 N 0.90 3.39 -0.29 5.38 0.08 -0.23 -1.92 117.98 125.29 3h1k s PHE 97 Ca -0.08 0.45 -0.03 0.00 0.12 0.00 0.00 56.93 57.39 3h1k s PHE 97 Cb -0.15 -2.33 0.11 0.00 -0.57 0.00 0.00 43.02 40.07 3h1k s PHE 97 CO -0.00 0.15 0.15 0.08 -0.10 0.00 0.00 175.22 175.50 3h1k s VAL 98 N 0.78 -0.08 -0.02 -0.44 1.01 -1.25 -0.68 120.40 119.72 3h1k s VAL 98 Ca 0.13 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.33 3h1k s VAL 98 Cb -0.13 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 3h1k s VAL 98 CO 0.04 -0.73 -0.06 -0.60 0.00 0.00 0.00 175.10 173.75 3h1k s ARG 99 N 2.05 2.64 -1.07 2.72 3.52 -0.99 -4.15 118.95 123.66 3h1k s ARG 99 Ca 0.10 -0.65 -0.07 0.00 -0.13 0.00 0.00 55.73 54.97 3h1k s ARG 99 Cb -0.16 -2.55 0.27 0.00 -1.56 0.00 0.00 34.95 30.95 3h1k s ARG 99 CO -0.34 0.63 1.05 1.58 -0.81 0.00 0.00 175.30 177.41 3h1k n HIS 100 N 1.79 5.06 -1.85 5.12 -0.00 -1.26 -2.96 115.22 121.12 3h1k n HIS 100 Ca -0.16 -3.96 -0.42 0.00 -0.00 0.00 0.00 57.72 53.17 3h1k n HIS 100 Cb 0.53 -1.59 -0.03 0.00 -0.00 0.00 0.00 29.99 28.90 3h1k n HIS 100 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 3h1k s ARG 101 N -1.32 4.18 0.69 1.57 1.70 -1.00 -2.33 118.95 122.43 3h1k s ARG 101 Ca 0.30 2.47 -0.17 0.00 -0.47 0.00 0.00 55.73 57.86 3h1k s ARG 101 Cb -0.09 -3.11 -0.10 0.00 -0.57 0.00 0.00 34.95 31.08 3h1k s ARG 101 CO -0.09 -0.65 0.10 0.25 -1.08 0.00 0.00 175.30 173.84 3h1k n THR 102 N 3.64 0.94 0.19 4.99 -2.24 -1.26 -4.73 114.28 115.81 3h1k n THR 102 Ca 0.13 -0.45 0.18 0.00 -2.27 0.00 0.00 64.05 61.64 3h1k n THR 102 Cb 0.37 -0.38 0.73 0.00 -2.10 0.00 0.00 70.33 68.96 3h1k n THR 102 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3h1k h GLN 103 N -0.31 0.00 -0.02 -0.78 1.08 -1.96 -1.72 115.11 111.40 3h1k h GLN 103 Ca -0.44 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.75 3h1k h GLN 103 Cb 1.38 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.81 3h1k h GLN 103 CO 0.39 0.00 -0.03 0.00 -0.95 0.00 0.00 178.83 178.24 3h1k h ALA 104 N 1.32 0.03 0.00 3.87 0.00 -2.01 -3.15 119.26 119.32 3h1k h ALA 104 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3h1k h ALA 104 Cb 1.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3h1k h ALA 104 CO -0.00 -0.17 0.00 0.39 0.00 0.00 0.00 179.25 179.47 3h1k n GLU 105 N -4.78 0.01 0.16 0.00 1.02 -0.65 0.11 120.64 116.52 3h1k n GLU 105 Ca -0.08 0.30 0.11 0.00 -0.02 0.00 0.00 57.16 57.47 3h1k n GLU 105 Cb 0.30 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.30 3h1k n GLU 105 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3h1k h ILE 106 N 0.00 0.03 0.00 -3.67 2.04 -1.59 -3.41 117.51 110.91 3h1k h ILE 106 Ca 0.00 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.81 3h1k h ILE 106 Cb 0.01 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 3h1k h ILE 106 CO 0.00 0.02 0.00 0.59 0.00 0.00 0.00 178.15 178.76 3h1k n ASN 107 N -2.90 0.00 -1.57 1.72 3.02 0.29 -3.82 115.26 112.00 3h1k n ASN 107 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 3h1k n ASN 107 Cb 0.55 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 3h1k n ASN 107 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h1k n GLN 108 N 0.00 0.15 -0.02 3.52 10.64 -1.26 -2.00 117.38 128.41 3h1k n GLN 108 Ca 0.00 0.00 0.05 0.00 -1.83 0.00 0.00 57.00 55.22 3h1k n GLN 108 Cb 0.00 -1.42 -0.12 0.00 -0.86 0.00 0.00 30.24 27.83 3h1k n GLN 108 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 3h1k n GLU 109 N 1.54 0.73 0.08 2.61 4.07 -1.25 -4.37 120.64 124.05 3h1k n GLU 109 Ca 0.00 -0.12 0.03 0.00 -0.06 0.00 0.00 57.16 57.02 3h1k n GLU 109 Cb 0.08 -1.38 -0.02 0.00 -0.06 0.00 0.00 31.44 30.05 3h1k n GLU 109 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3h1k h ALA 110 N 1.31 0.65 -0.53 4.31 0.00 -1.58 -3.32 119.26 120.10 3h1k h ALA 110 Ca -0.09 -0.55 -0.29 0.00 0.00 0.00 0.00 54.91 53.98 3h1k h ALA 110 Cb 1.00 0.11 -0.16 0.00 0.00 0.00 0.00 17.79 18.74 3h1k h ALA 110 CO 0.00 0.63 0.37 0.39 0.00 0.00 0.00 179.25 180.65 3h1k n GLU 111 N -2.96 1.71 -3.71 0.00 1.02 -1.26 -4.84 120.64 110.59 3h1k n GLU 111 Ca -0.04 -1.61 -0.37 0.00 -0.02 0.00 0.00 57.16 55.11 3h1k n GLU 111 Cb 0.74 -1.63 -0.12 0.00 -0.02 0.00 0.00 31.44 30.41 3h1k n GLU 111 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h1k s VAL 112 N -1.90 4.37 -0.32 2.62 1.01 -1.25 -5.05 120.40 119.88 3h1k s VAL 112 Ca 0.31 -0.38 -0.43 0.00 0.00 0.00 0.00 61.98 61.48 3h1k s VAL 112 Cb 0.26 -3.16 -0.19 0.00 0.00 0.00 0.00 36.38 33.29 3h1k s VAL 112 CO 0.04 0.17 1.54 0.47 0.00 0.00 0.00 175.10 177.33 3h1k n ASP 113 N 4.94 1.39 -3.70 3.32 10.43 -1.26 -4.87 116.55 126.80 3h1k n ASP 113 Ca -0.15 1.15 -0.41 0.00 2.57 0.00 0.00 54.79 57.95 3h1k n ASP 113 Cb 0.50 -0.98 0.01 0.00 1.84 0.00 0.00 41.12 42.48 3h1k n ASP 113 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 3h1k n VAL 114 N 3.69 5.43 0.00 2.53 0.31 -1.26 -3.90 118.33 125.13 3h1k n VAL 114 Ca 0.27 -5.23 0.00 0.00 -0.01 0.00 0.00 64.34 59.37 3h1k n VAL 114 Cb 0.03 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.02 3h1k n VAL 114 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3h1k n SER 115 N 1.36 0.00 -4.14 4.52 3.41 -1.26 -5.03 113.62 112.48 3h1k n SER 115 Ca 0.46 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.64 3h1k n SER 115 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 3h1k n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h1k n LYS 116 N -0.24 3.88 -3.61 4.33 4.76 -1.25 -4.91 118.16 121.12 3h1k n LYS 116 Ca 0.00 -4.23 -0.08 0.00 -2.87 0.00 0.00 58.31 51.13 3h1k n LYS 116 Cb 0.00 -2.68 -0.06 0.00 -1.84 0.00 0.00 35.03 30.45 3h1k n LYS 116 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3h1k s LEU 117 N -1.20 -0.32 0.09 -0.35 1.43 -1.26 -4.92 118.68 112.14 3h1k s LEU 117 Ca 0.34 0.48 -0.31 0.00 -1.03 0.00 0.00 54.13 53.61 3h1k s LEU 117 Cb 0.00 1.70 -0.14 0.00 0.03 0.00 0.00 46.19 47.79 3h1k s LEU 117 CO 0.02 -0.21 1.49 0.03 0.23 0.00 0.00 176.35 177.91 3h1k h ARG 118 N 3.08 -0.70 -4.12 1.70 3.08 -1.91 -3.33 114.38 112.17 3h1k h ARG 118 Ca -0.21 0.05 -0.76 0.00 0.07 0.00 0.00 59.98 59.13 3h1k h ARG 118 Cb 1.17 0.16 -0.24 0.00 0.08 0.00 0.00 29.97 31.14 3h1k h ARG 118 CO 0.22 -0.47 -0.00 0.34 -1.07 0.00 0.00 179.97 178.99 3h1k s ASP 119 N -4.32 6.42 -0.43 7.04 2.15 -1.26 -5.01 116.67 121.26 3h1k s ASP 119 Ca -0.15 -2.09 -0.29 0.00 0.43 0.00 0.00 52.55 50.46 3h1k s ASP 119 Cb 0.05 -2.23 0.01 0.00 -0.30 0.00 0.00 42.92 40.45 3h1k s ASP 119 CO 0.53 -0.80 1.36 -2.16 -0.17 0.00 0.00 175.17 173.93 3h1k s PRO 120 N 1.27 3.59 -0.30 4.34 0.04 -1.25 -4.93 135.00 137.76 3h1k s PRO 120 Ca 0.11 0.83 -0.17 0.00 0.04 0.00 0.00 61.00 61.81 3h1k s PRO 120 Cb -0.21 -4.01 0.17 0.00 0.04 0.00 0.00 34.50 30.50 3h1k s PRO 120 CO -0.02 -1.55 1.21 -0.65 0.04 0.00 0.00 177.00 176.03 3h1k s GLN 121 N 4.87 0.04 0.99 4.56 -0.21 -1.26 -5.10 119.66 123.55 3h1k s GLN 121 Ca 0.58 0.06 -0.13 0.00 0.02 0.00 0.00 55.36 55.88 3h1k s GLN 121 Cb -0.12 0.03 0.16 0.00 1.00 0.00 0.00 33.01 34.07 3h1k s GLN 121 CO 0.32 -0.05 0.27 1.58 -2.12 0.00 0.00 175.29 175.30 3h1k n HIS 122 N 5.35 -2.28 1.70 0.91 -0.00 -1.26 -4.83 115.22 114.82 3h1k n HIS 122 Ca -0.03 0.03 0.11 0.00 0.46 0.00 0.00 57.72 58.29 3h1k n HIS 122 Cb 0.56 -1.39 0.66 0.00 -0.12 0.00 0.00 29.99 29.70 3h1k n HIS 122 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 3h1k n ASP 123 N -1.01 0.00 -0.06 0.26 2.03 -1.26 -3.62 116.55 112.89 3h1k n ASP 123 Ca 0.05 -1.01 -0.05 0.00 0.52 0.00 0.00 54.79 54.30 3h1k n ASP 123 Cb 0.35 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.71 3h1k n ASP 123 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3h1k h LEU 124 N 0.00 0.00 0.00 -2.67 3.38 -1.88 -3.07 115.31 111.07 3h1k h LEU 124 Ca 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3h1k h LEU 124 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3h1k h LEU 124 CO 0.00 0.70 0.00 0.47 0.09 0.00 0.00 178.44 179.70 3h1k n ASP 125 N -4.70 0.00 0.00 -0.43 8.00 -1.24 -3.95 116.55 114.23 3h1k n ASP 125 Ca -0.05 -0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.28 3h1k n ASP 125 Cb 0.18 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 3h1k n ASP 125 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3h1k n ARG 126 N -1.09 0.00 -2.40 -1.24 1.74 -1.25 -4.97 116.66 107.45 3h1k n ARG 126 Ca 0.06 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.72 3h1k n ARG 126 Cb 0.05 -0.01 -0.02 0.00 -1.02 0.00 0.00 32.46 31.45 3h1k n ARG 126 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3h1k s VAL 127 N 0.00 4.21 -0.08 1.55 -7.23 -1.16 -4.94 120.40 112.75 3h1k s VAL 127 Ca 0.00 1.49 -0.01 0.00 -1.81 0.00 0.00 61.98 61.65 3h1k s VAL 127 Cb 0.00 -3.96 -0.01 0.00 0.56 0.00 0.00 36.38 32.97 3h1k s VAL 127 CO 0.00 -0.08 0.06 0.11 -0.31 0.00 0.00 175.10 174.88 3h1k h LYS 128 N 8.01 -0.04 -5.94 4.82 1.57 -1.82 -3.44 116.57 119.73 3h1k h LYS 128 Ca -0.30 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.90 3h1k h LYS 128 Cb 1.13 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.38 3h1k h LYS 128 CO 0.94 -0.03 0.34 0.21 -0.57 0.00 0.00 179.45 180.34 3h1k s LYS 129 N -1.61 4.31 0.00 3.15 2.47 -1.26 -5.01 119.74 121.79 3h1k s LYS 129 Ca -0.01 0.99 0.00 0.00 -1.56 0.00 0.00 55.97 55.39 3h1k s LYS 129 Cb 0.00 -3.56 0.00 0.00 -1.46 0.00 0.00 37.83 32.81 3h1k s LYS 129 CO 0.02 -0.28 0.00 -2.30 0.16 0.00 0.00 175.35 172.95 3h1k n PRO 130 N 5.06 0.00 0.03 4.03 -0.02 -1.26 -2.04 135.00 140.80 3h1k n PRO 130 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3h1k n PRO 130 Cb 0.49 -0.25 0.01 0.00 -0.02 0.00 0.00 33.50 33.74 3h1k n PRO 130 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3h1k n GLU 131 N 0.00 0.01 -4.57 -0.52 0.00 -1.26 -4.59 120.64 109.71 3h1k n GLU 131 Ca 0.00 0.14 -0.33 0.00 0.00 0.00 0.00 57.16 56.98 3h1k n GLU 131 Cb 0.00 -1.98 -0.11 0.00 0.00 0.00 0.00 31.44 29.35 3h1k n GLU 131 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 3h1k s TRP 132 N -2.30 2.86 -0.16 -1.84 0.52 -0.86 -2.37 118.94 114.79 3h1k s TRP 132 Ca -0.00 -0.05 -0.05 0.00 0.02 0.00 0.00 56.10 56.02 3h1k s TRP 132 Cb 0.00 -1.63 0.08 0.00 -1.15 0.00 0.00 33.47 30.77 3h1k s TRP 132 CO 0.00 0.33 0.31 0.54 0.02 0.00 0.00 176.95 178.16 3h1k s VAL 133 N -0.91 -0.49 -0.03 4.03 0.11 -1.16 -4.63 120.40 117.33 3h1k s VAL 133 Ca 0.15 0.21 0.07 0.00 -2.93 0.00 0.00 61.98 59.49 3h1k s VAL 133 Cb -0.11 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 34.18 3h1k s VAL 133 CO 0.05 0.08 -0.24 -0.63 -3.33 0.00 0.00 175.10 171.02 3h1k s ILE 134 N 2.48 2.20 0.05 7.04 1.01 -1.26 -2.35 121.20 130.37 3h1k s ILE 134 Ca 0.01 -1.05 -0.27 0.00 0.00 0.00 0.00 60.65 59.35 3h1k s ILE 134 Cb -0.12 -1.78 0.08 0.00 0.01 0.00 0.00 42.46 40.65 3h1k s ILE 134 CO -0.10 0.58 0.70 -1.48 0.00 0.00 0.00 174.94 174.64 3h1k s LEU 135 N -0.58 -0.54 0.14 2.97 0.05 0.15 -4.67 118.68 116.19 3h1k s LEU 135 Ca 0.09 0.22 -0.32 0.00 0.05 0.00 0.00 54.13 54.16 3h1k s LEU 135 Cb -0.10 2.43 -0.11 0.00 -2.05 0.00 0.00 46.19 46.35 3h1k s LEU 135 CO -0.00 -0.77 1.78 0.52 -0.55 0.00 0.00 176.35 177.33 3h1k n VAL 136 N 0.06 0.23 -0.78 1.48 0.31 0.14 -1.07 118.33 118.71 3h1k n VAL 136 Ca -0.16 -0.04 -0.08 0.00 -0.01 0.00 0.00 64.34 64.05 3h1k n VAL 136 Cb 0.62 -2.01 -0.12 0.00 -0.91 0.00 0.00 33.84 31.42 3h1k n VAL 136 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h1k n GLY 137 N 4.08 2.62 3.12 2.92 0.00 0.15 -4.55 105.19 113.53 3h1k n GLY 137 Ca 0.18 -0.84 -0.17 0.00 0.00 0.00 0.00 46.02 45.19 3h1k n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1k s VAL 138 N 1.09 0.89 -1.09 1.61 1.01 -1.26 -4.36 120.40 118.29 3h1k s VAL 138 Ca 0.47 -1.14 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 3h1k s VAL 138 Cb 0.22 -0.88 0.29 0.00 0.00 0.00 0.00 36.38 36.01 3h1k s VAL 138 CO 0.00 -0.23 1.24 0.00 0.00 0.00 0.00 175.10 176.11 3h1k n THR 140 N 2.10 0.00 0.00 0.00 -2.24 -1.26 -2.67 114.28 110.21 3h1k n THR 140 Ca 0.25 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 3h1k n THR 140 Cb 0.37 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 3h1k n THR 140 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3h1k n HIS 141 N -0.64 0.00 -2.94 4.78 -0.00 -1.26 -3.54 115.22 111.62 3h1k n HIS 141 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.58 3h1k n HIS 141 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.00 3h1k n HIS 141 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3h1k n LEU 142 N -0.26 0.47 0.00 0.27 4.77 -1.09 -4.96 117.00 116.20 3h1k n LEU 142 Ca 0.00 -4.36 0.00 0.00 -0.03 0.00 0.00 56.01 51.62 3h1k n LEU 142 Cb 0.00 0.61 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 3h1k n LEU 142 CO 0.00 2.02 0.00 0.61 -1.33 0.00 0.00 177.39 178.69 3h1k n GLY 143 N 0.13 1.63 1.62 -0.72 0.00 -1.20 -5.01 105.19 101.63 3h1k n GLY 143 Ca 0.16 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3h1k n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1k s VAL 145 N -4.37 4.71 1.46 0.00 1.01 -1.26 -2.18 120.40 119.77 3h1k s VAL 145 Ca 0.00 -0.10 -0.23 0.00 0.00 0.00 0.00 61.98 61.65 3h1k s VAL 145 Cb 0.00 -3.26 0.38 0.00 0.00 0.00 0.00 36.38 33.50 3h1k s VAL 145 CO 0.00 0.26 0.90 -2.84 0.00 0.00 0.00 175.10 173.42 3h1k s PRO 146 N 1.67 -3.20 -0.26 2.72 0.02 -1.26 -4.79 135.00 129.89 3h1k s PRO 146 Ca 0.06 0.17 -0.04 0.00 0.02 0.00 0.00 61.00 61.21 3h1k s PRO 146 Cb -0.16 -1.34 0.14 0.00 0.02 0.00 0.00 34.50 33.16 3h1k s PRO 146 CO 0.07 -5.06 0.49 0.42 -0.33 0.00 0.00 177.00 172.58 3h1k s ILE 147 N -2.17 -0.78 0.00 2.83 1.01 -0.89 -4.92 121.20 116.27 3h1k s ILE 147 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.34 3h1k s ILE 147 Cb -0.14 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.47 3h1k s ILE 147 CO 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 174.94 175.49 3h1k n ALA 148 N 5.40 0.00 0.00 9.38 0.00 -1.26 0.26 120.51 134.28 3h1k n ALA 148 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3h1k n ALA 148 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3h1k n ALA 148 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h1k n ASN 149 N -2.43 0.00 -4.13 0.00 5.03 0.19 -4.86 115.26 109.07 3h1k n ASN 149 Ca 0.00 0.00 -0.27 0.00 0.87 0.00 0.00 54.58 55.18 3h1k n ASN 149 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 38.68 3h1k n ASN 149 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3h1k s SER 150 N 0.00 2.95 0.00 6.41 1.04 -1.24 -4.68 113.70 118.18 3h1k s SER 150 Ca 0.00 -1.70 0.00 0.00 0.48 0.00 0.00 55.95 54.73 3h1k s SER 150 Cb 0.00 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.68 3h1k s SER 150 CO 0.00 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.87 3h1k n GLY 151 N -0.96 0.62 0.15 7.32 0.00 -1.26 -4.35 105.19 106.71 3h1k n GLY 151 Ca -0.07 -2.20 0.02 0.00 0.00 0.00 0.00 46.02 43.77 3h1k n GLY 151 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h1k h ASP 152 N 0.00 0.00 0.00 1.61 5.19 -1.97 -3.33 116.42 117.92 3h1k h ASP 152 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 3h1k h ASP 152 Cb 0.00 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.44 3h1k h ASP 152 CO 0.00 0.53 -0.49 0.49 -3.12 0.00 0.00 179.24 176.65 3h1k n PHE 153 N -3.48 0.00 -0.30 4.55 3.01 -1.26 -4.97 117.46 115.01 3h1k n PHE 153 Ca 0.00 -1.12 0.00 0.00 1.01 0.00 0.00 57.45 57.34 3h1k n PHE 153 Cb 0.64 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.91 3h1k n PHE 153 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3h1k n GLY 154 N -0.82 0.00 0.00 1.37 0.00 -1.25 -3.97 105.19 100.51 3h1k n GLY 154 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3h1k n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1k n GLY 155 N -1.66 1.25 0.00 -0.02 0.00 -1.25 -3.95 105.19 99.56 3h1k n GLY 155 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3h1k n GLY 155 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h1k n TYR 156 N 0.00 -0.27 -3.16 1.61 4.02 0.56 0.55 117.16 120.47 3h1k n TYR 156 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.94 3h1k n TYR 156 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 3h1k n TYR 156 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 3h1k s TYR 157 N 1.34 -0.07 -0.67 -0.72 5.04 0.14 -3.95 117.35 118.46 3h1k s TYR 157 Ca 0.00 0.09 -0.18 0.00 -2.44 0.00 0.00 57.07 54.53 3h1k s TYR 157 Cb 0.00 0.03 0.13 0.00 0.35 0.00 0.00 41.96 42.46 3h1k s TYR 157 CO 0.00 -0.03 0.77 0.00 -1.34 0.00 0.00 175.55 174.94 3h1k n PRO 159 N 5.98 0.05 -0.01 0.00 -0.04 -1.26 -2.23 135.00 137.50 3h1k n PRO 159 Ca -0.02 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.28 3h1k n PRO 159 Cb 0.44 -1.16 -0.13 0.00 -0.04 0.00 0.00 33.50 32.61 3h1k n PRO 159 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1k n HIS 161 N -4.38 0.00 0.00 0.00 8.25 -1.17 -5.04 115.22 112.88 3h1k n HIS 161 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 3h1k n HIS 161 Cb 0.61 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.72 3h1k n HIS 161 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h1k n GLY 162 N 0.05 2.81 2.23 -1.41 0.00 -0.95 -4.72 105.19 103.20 3h1k n GLY 162 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3h1k n GLY 162 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h1k n SER 163 N 0.00 0.56 -4.66 1.61 7.64 -1.26 -4.68 113.62 112.84 3h1k n SER 163 Ca 0.00 0.52 -0.40 0.00 1.01 0.00 0.00 58.87 60.00 3h1k n SER 163 Cb 0.00 -0.59 -0.06 0.00 -1.01 0.00 0.00 64.21 62.55 3h1k n SER 163 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3h1k s HIS 164 N 3.56 3.39 -0.27 1.43 0.09 -0.95 -3.13 115.29 119.41 3h1k s HIS 164 Ca 0.78 0.98 -0.06 0.00 -0.00 0.00 0.00 55.06 56.76 3h1k s HIS 164 Cb -1.00 -2.83 0.00 0.00 -0.00 0.00 0.00 32.58 28.75 3h1k s HIS 164 CO 0.46 -0.18 0.04 0.71 -0.00 0.00 0.00 174.74 175.77 3h1k s TYR 165 N 1.91 3.09 1.41 1.40 1.51 -1.25 -0.41 117.35 125.00 3h1k s TYR 165 Ca 0.30 -0.93 -0.22 0.00 -1.01 0.00 0.00 57.07 55.22 3h1k s TYR 165 Cb -0.16 -2.20 0.36 0.00 -0.11 0.00 0.00 41.96 39.85 3h1k s TYR 165 CO 0.11 -0.55 0.88 -0.40 -1.11 0.00 0.00 175.55 174.48 3h1k n ASP 166 N 4.84 -3.63 -2.14 2.29 5.68 -0.87 0.21 116.55 122.93 3h1k n ASP 166 Ca -0.16 -0.70 -0.18 0.00 -0.50 0.00 0.00 54.79 53.25 3h1k n ASP 166 Cb 0.49 -1.05 -0.08 0.00 -1.14 0.00 0.00 41.12 39.34 3h1k n ASP 166 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3h1k n ALA 167 N -5.63 6.01 -1.21 2.12 0.00 -1.26 -3.21 120.51 117.34 3h1k n ALA 167 Ca 0.11 -2.12 0.00 0.00 0.00 0.00 0.00 53.44 51.42 3h1k n ALA 167 Cb 0.58 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 18.04 3h1k n ALA 167 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h1k n SER 168 N 1.45 0.00 -0.80 0.00 2.88 -1.26 -5.01 113.62 110.88 3h1k n SER 168 Ca 0.39 -0.70 0.00 0.00 -1.33 0.00 0.00 58.87 57.23 3h1k n SER 168 Cb 0.68 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.14 3h1k n SER 168 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h1k n GLY 169 N 0.00 0.51 3.10 0.46 0.00 -1.20 -5.00 105.19 103.06 3h1k n GLY 169 Ca 0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 3h1k n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h1k s ARG 170 N -3.42 0.48 0.29 1.61 0.52 -1.26 -3.78 118.95 113.39 3h1k s ARG 170 Ca 0.00 -0.45 -0.28 0.00 -0.52 0.00 0.00 55.73 54.47 3h1k s ARG 170 Cb 0.00 0.20 -0.09 0.00 0.52 0.00 0.00 34.95 35.57 3h1k s ARG 170 CO 0.00 -0.11 1.04 -1.50 0.02 0.00 0.00 175.30 174.75 3h1k s ILE 171 N -1.51 3.73 0.00 1.52 1.10 -1.26 -2.06 121.20 122.71 3h1k s ILE 171 Ca -0.14 1.64 0.00 0.00 -0.51 0.00 0.00 60.65 61.64 3h1k s ILE 171 Cb -0.07 -4.00 0.00 0.00 0.15 0.00 0.00 42.46 38.54 3h1k s ILE 171 CO 0.01 0.31 0.00 0.54 -2.11 0.00 0.00 174.94 173.69 3h1k n ARG 172 N 0.98 0.00 -3.62 3.50 5.12 0.46 -4.65 116.66 118.44 3h1k n ARG 172 Ca -0.00 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.53 3h1k n ARG 172 Cb 0.47 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.68 3h1k n ARG 172 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3h1k s LYS 173 N -0.15 2.53 0.00 5.56 2.20 -1.24 -4.92 119.74 123.73 3h1k s LYS 173 Ca 0.00 -2.08 0.00 0.00 -0.36 0.00 0.00 55.97 53.53 3h1k s LYS 173 Cb 0.00 -3.86 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 3h1k s LYS 173 CO 0.00 -1.18 0.00 0.41 -0.36 0.00 0.00 175.35 174.22 3h1k n GLY 174 N 4.32 -1.27 0.07 5.54 0.00 -1.26 -2.25 105.19 110.34 3h1k n GLY 174 Ca 0.00 -1.22 -0.02 0.00 0.00 0.00 0.00 46.02 44.78 3h1k n GLY 174 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h1k h PRO 175 N 0.06 -0.12 -0.97 1.61 0.13 -1.94 -3.48 132.00 127.29 3h1k h PRO 175 Ca 0.00 0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 65.02 3h1k h PRO 175 Cb 0.00 0.03 0.01 0.00 0.13 0.00 0.00 31.00 31.17 3h1k h PRO 175 CO 0.00 -0.08 -0.04 0.00 -0.23 0.00 0.00 178.00 177.65 3h1k n ALA 176 N -2.41 -1.15 -1.00 -0.56 0.00 -1.26 -4.97 120.51 109.15 3h1k n ALA 176 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3h1k n ALA 176 Cb 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.23 3h1k n ALA 176 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3h1k n PRO 177 N 0.20 0.00 -0.83 0.00 -0.04 -1.26 -4.97 135.00 128.11 3h1k n PRO 177 Ca 0.03 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.30 3h1k n PRO 177 Cb 0.03 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.52 3h1k n PRO 177 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3h1k n TYR 178 N 0.00 -1.39 -3.25 0.54 4.02 -1.26 -4.73 117.16 111.09 3h1k n TYR 178 Ca 0.00 0.59 -0.27 0.00 -0.01 0.00 0.00 57.90 58.22 3h1k n TYR 178 Cb 0.00 -1.39 -0.02 0.00 -0.02 0.00 0.00 39.34 37.91 3h1k n TYR 178 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3h1k s ASN 179 N -1.13 6.36 -0.46 7.72 0.01 -1.26 -4.57 114.94 121.61 3h1k s ASN 179 Ca 0.20 0.64 -0.43 0.00 -0.71 0.00 0.00 52.86 52.56 3h1k s ASN 179 Cb 0.03 -2.11 -0.18 0.00 0.41 0.00 0.00 41.25 39.40 3h1k s ASN 179 CO 0.33 -0.29 1.98 0.18 -1.51 0.00 0.00 177.10 177.79 3h1k n LEU 180 N -1.46 1.23 -4.11 0.60 4.77 -1.25 -4.74 117.00 112.03 3h1k n LEU 180 Ca -0.03 0.80 -0.50 0.00 -0.03 0.00 0.00 56.01 56.25 3h1k n LEU 180 Cb 0.55 -0.97 -0.05 0.00 -2.33 0.00 0.00 43.42 40.61 3h1k n LEU 180 CO 0.49 -0.74 0.29 1.21 -1.33 0.00 0.00 177.39 177.31 3h1k n GLU 181 N 6.59 0.00 -4.35 3.23 2.13 -1.26 -4.60 120.64 122.38 3h1k n GLU 181 Ca 0.45 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.93 3h1k n GLU 181 Cb 0.01 -1.18 -0.13 0.00 0.27 0.00 0.00 31.44 30.41 3h1k n GLU 181 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3h1k s VAL 182 N -0.41 3.73 0.77 6.31 1.01 -1.26 0.24 120.40 130.79 3h1k s VAL 182 Ca 0.73 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 62.22 3h1k s VAL 182 Cb -1.03 -2.64 0.10 0.00 0.00 0.00 0.00 36.38 32.81 3h1k s VAL 182 CO 0.52 0.48 1.09 -2.16 0.00 0.00 0.00 175.10 175.03 3h1k s PRO 183 N 0.58 1.76 -0.04 2.72 0.04 -1.26 -4.94 135.00 133.85 3h1k s PRO 183 Ca -0.03 -0.39 -0.14 0.00 0.04 0.00 0.00 61.00 60.47 3h1k s PRO 183 Cb -0.14 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 3h1k s PRO 183 CO 0.03 -1.56 0.37 0.99 0.04 0.00 0.00 177.00 176.87 3h1k s THR 184 N -3.40 5.13 -0.05 1.26 2.01 -1.26 -5.03 115.64 114.30 3h1k s THR 184 Ca 0.64 0.74 -0.31 0.00 0.31 0.00 0.00 61.69 63.07 3h1k s THR 184 Cb -0.08 -3.67 0.11 0.00 0.01 0.00 0.00 72.50 68.87 3h1k s THR 184 CO 0.47 0.54 1.11 -0.72 -0.69 0.00 0.00 174.62 175.33 3h1k s TYR 185 N -0.75 -0.16 0.00 4.92 -0.00 -1.26 -3.03 117.35 117.06 3h1k s TYR 185 Ca 0.22 0.04 0.00 0.00 -0.00 0.00 0.00 57.07 57.33 3h1k s TYR 185 Cb -0.16 0.55 0.00 0.00 -0.00 0.00 0.00 41.96 42.35 3h1k s TYR 185 CO 0.11 -0.40 0.00 1.04 -0.00 0.00 0.00 175.55 176.29 3h1k n GLN 186 N -0.28 0.91 -4.18 -3.49 1.13 -1.10 -5.03 117.38 105.33 3h1k n GLN 186 Ca -0.05 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.90 3h1k n GLN 186 Cb 0.61 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.86 3h1k n GLN 186 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3h1k s PHE 187 N 0.36 0.94 -0.29 1.08 0.08 -1.26 -3.68 117.98 115.21 3h1k s PHE 187 Ca 0.00 -0.91 0.00 0.00 0.12 0.00 0.00 56.93 56.14 3h1k s PHE 187 Cb 0.00 -0.54 0.18 0.00 -0.57 0.00 0.00 43.02 42.09 3h1k s PHE 187 CO 0.00 -0.14 0.55 0.14 -0.10 0.00 0.00 175.22 175.68 3h1k s VAL 188 N -3.60 -0.92 0.00 -0.44 -7.23 -0.84 -4.94 120.40 102.42 3h1k s VAL 188 Ca 0.13 -0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.27 3h1k s VAL 188 Cb 0.05 -0.97 0.00 0.00 0.56 0.00 0.00 36.38 36.02 3h1k s VAL 188 CO -0.04 -0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.33 3h1k n GLY 189 N 5.41 -1.96 2.05 2.32 0.00 -1.26 -3.03 105.19 108.72 3h1k n GLY 189 Ca -0.00 -1.60 -0.07 0.00 0.00 0.00 0.00 46.02 44.35 3h1k n GLY 189 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h1k n ASP 190 N 0.67 4.86 -0.26 1.61 5.75 -1.26 -4.42 116.55 123.49 3h1k n ASP 190 Ca 0.00 -3.24 -0.00 0.00 -0.01 0.00 0.00 54.79 51.54 3h1k n ASP 190 Cb 0.00 -0.76 -0.00 0.00 -1.03 0.00 0.00 41.12 39.33 3h1k n ASP 190 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3h1k n ASP 191 N -0.17 -0.04 -3.99 -1.12 5.75 -1.26 -4.88 116.55 110.84 3h1k n ASP 191 Ca 0.42 -0.15 -0.20 0.00 -0.01 0.00 0.00 54.79 54.86 3h1k n ASP 191 Cb 1.42 0.01 -0.15 0.00 -1.03 0.00 0.00 41.12 41.37 3h1k n ASP 191 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3h1k s LEU 192 N 0.00 1.78 -0.01 -2.12 1.43 -1.17 0.17 118.68 118.76 3h1k s LEU 192 Ca 0.00 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 3h1k s LEU 192 Cb 0.00 -0.50 0.00 0.00 0.03 0.00 0.00 46.19 45.72 3h1k s LEU 192 CO 0.00 0.06 -0.04 0.54 0.23 0.00 0.00 176.35 177.14 3h1k s VAL 193 N 0.20 0.32 -0.14 -1.59 0.11 -0.71 -1.99 120.40 116.61 3h1k s VAL 193 Ca -0.03 -0.14 0.02 0.00 -2.93 0.00 0.00 61.98 58.90 3h1k s VAL 193 Cb -0.08 -0.29 0.01 0.00 -1.53 0.00 0.00 36.38 34.49 3h1k s VAL 193 CO 0.00 0.11 -0.19 -0.69 -3.33 0.00 0.00 175.10 171.00 3h1k s VAL 194 N 0.10 1.85 -0.31 2.04 1.01 -1.24 -0.50 120.40 123.35 3h1k s VAL 194 Ca -0.01 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 3h1k s VAL 194 Cb -0.04 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 34.71 3h1k s VAL 194 CO -0.00 0.51 0.06 -0.69 0.00 0.00 0.00 175.10 174.97 3h1k s VAL 195 N 0.97 3.55 0.00 2.92 1.01 -0.79 -2.71 120.40 125.34 3h1k s VAL 195 Ca -0.05 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.87 3h1k s VAL 195 Cb -0.15 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.29 3h1k s VAL 195 CO -0.04 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.62