#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 0.23 6.34 1.44 -1.26 -2.88 115.22 119.09 3h1k n HIS 2 Ca 0.00 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.84 3h1k n HIS 2 Cb 0.00 -0.42 0.31 0.00 0.12 0.00 0.00 29.99 30.00 3h1k n HIS 2 CO 0.00 0.00 0.00 -0.91 -2.81 0.00 0.00 176.34 172.62 3h1k h ASN 3 N 0.03 0.00 -0.07 4.39 2.35 -2.12 -3.13 115.58 117.02 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 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 3h1k h ASN 3 CO 0.00 0.03 0.00 0.47 -1.65 0.00 0.00 177.43 176.28 3h1k n ASP 4 N -3.11 0.40 -4.39 5.81 10.43 -1.14 -4.83 116.55 119.72 3h1k n ASP 4 Ca 0.03 -1.90 -0.33 0.00 2.57 0.00 0.00 54.79 55.16 3h1k n ASP 4 Cb 0.48 -0.05 -0.14 0.00 1.84 0.00 0.00 41.12 43.25 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 -1.91 2.84 0.02 2.53 1.01 -1.19 -5.04 120.40 118.67 3h1k s VAL 5 Ca 0.10 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.32 3h1k s VAL 5 Cb 0.05 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 3h1k s VAL 5 CO 0.07 0.56 -0.07 0.42 0.00 0.00 0.00 175.10 176.08 3h1k s THR 6 N -0.18 0.51 -0.10 3.92 -4.23 -1.26 -5.08 115.64 109.21 3h1k s THR 6 Ca -0.01 -0.70 -0.29 0.00 -1.18 0.00 0.00 61.69 59.51 3h1k s THR 6 Cb -0.13 -0.51 -0.04 0.00 1.34 0.00 0.00 72.50 73.15 3h1k s THR 6 CO 0.03 -0.14 1.48 -0.69 -0.54 0.00 0.00 174.62 174.76 3h1k s VAL 7 N -0.80 3.89 0.89 2.29 1.01 -1.26 -4.98 120.40 121.44 3h1k s VAL 7 Ca -0.04 1.08 -0.13 0.00 0.00 0.00 0.00 61.98 62.89 3h1k s VAL 7 Cb -0.06 -3.70 0.07 0.00 0.00 0.00 0.00 36.38 32.69 3h1k s VAL 7 CO 0.00 -0.10 -0.06 -2.65 0.00 0.00 0.00 175.10 172.30 3h1k n PRO 8 N 6.91 -1.31 -3.23 2.72 -0.02 -1.26 -4.92 135.00 133.88 3h1k n PRO 8 Ca 0.16 -0.39 -0.41 0.00 -2.02 0.00 0.00 63.50 60.85 3h1k n PRO 8 Cb 0.44 -1.31 -0.08 0.00 -0.02 0.00 0.00 33.50 32.53 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 -1.58 6.39 -0.17 2.55 -1.08 -1.26 -4.91 116.67 116.60 3h1k s ASP 9 Ca 0.29 0.28 0.14 0.00 -0.52 0.00 0.00 52.55 52.74 3h1k s ASP 9 Cb -0.03 -2.28 0.70 0.00 -1.46 0.00 0.00 42.92 39.86 3h1k s ASP 9 CO 0.33 -0.39 1.59 0.49 0.52 0.00 0.00 175.17 177.71 3h1k n PHE 10 N 5.66 1.67 -0.17 -5.34 3.01 -1.26 -4.69 117.46 116.35 3h1k n PHE 10 Ca -0.04 -0.60 -0.04 0.00 1.01 0.00 0.00 57.45 57.77 3h1k n PHE 10 Cb 0.49 -0.38 -0.04 0.00 -0.01 0.00 0.00 39.48 39.54 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 0.72 -0.43 -0.34 4.37 7.64 -1.26 -0.20 113.62 124.13 3h1k n SER 11 Ca 0.24 1.04 0.26 0.00 1.01 0.00 0.00 58.87 61.41 3h1k n SER 11 Cb 0.99 -0.25 0.54 0.00 -1.01 0.00 0.00 64.21 64.48 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 -0.12 2.35 0.00 -0.43 0.00 -2.04 -2.29 119.26 116.74 3h1k h ALA 12 Ca 0.06 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3h1k h ALA 12 Cb 0.16 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3h1k h ALA 12 CO -0.38 -0.79 -0.95 0.66 0.00 0.00 0.00 179.25 177.80 3h1k n TYR 13 N -4.62 0.04 -1.76 0.00 4.01 0.72 -4.98 117.16 110.57 3h1k n TYR 13 Ca 0.27 0.01 -0.33 0.00 -0.16 0.00 0.00 57.90 57.70 3h1k n TYR 13 Cb 0.98 -0.16 0.04 0.00 -0.31 0.00 0.00 39.34 39.90 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 -3.06 2.88 0.48 -0.72 0.52 -0.48 -5.00 118.95 113.57 3h1k s ARG 14 Ca 0.07 1.29 -0.20 0.00 -0.52 0.00 0.00 55.73 56.37 3h1k s ARG 14 Cb 0.16 -1.97 -0.09 0.00 0.52 0.00 0.00 34.95 33.58 3h1k s ARG 14 CO 0.82 -1.17 1.02 1.03 0.02 0.00 0.00 175.30 177.02 3h1k s ARG 15 N -4.24 3.85 0.34 3.54 0.52 -1.26 -4.93 118.95 116.77 3h1k s ARG 15 Ca 0.65 1.29 0.14 0.00 -0.52 0.00 0.00 55.73 57.29 3h1k s ARG 15 Cb -0.19 -2.11 1.12 0.00 0.52 0.00 0.00 34.95 34.30 3h1k s ARG 15 CO 0.43 -0.38 1.59 1.49 0.02 0.00 0.00 175.30 178.46 3h1k h GLU 16 N 1.52 0.06 0.12 3.54 4.81 -1.97 -3.01 114.58 119.64 3h1k h GLU 16 Ca -0.49 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 3h1k h GLU 16 Cb 1.21 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3h1k h GLU 16 CO 0.59 0.04 -0.06 -0.44 -0.73 0.00 0.00 179.01 178.42 3h1k h ASP 17 N 0.06 -0.13 0.00 1.04 3.32 -2.00 -3.35 116.42 115.36 3h1k h ASP 17 Ca 0.75 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 57.32 3h1k h ASP 17 Cb 1.83 0.03 0.02 0.00 0.22 0.00 0.00 39.33 41.44 3h1k h ASP 17 CO -0.78 0.17 3.02 1.33 -1.72 0.00 0.00 179.24 181.26 3h1k n VAL 18 N -3.88 3.05 0.00 -1.35 0.24 -1.14 -3.47 118.33 111.78 3h1k n VAL 18 Ca -0.02 -1.84 0.00 0.00 -2.04 0.00 0.00 64.34 60.44 3h1k n VAL 18 Cb 0.06 -2.30 0.00 0.00 -1.47 0.00 0.00 33.84 30.13 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 4.09 1.43 -3.35 7.34 0.00 -1.22 -4.40 117.12 120.99 3h1k n MET 19 Ca 0.56 0.00 -0.44 0.00 0.00 0.00 0.00 57.70 57.82 3h1k n MET 19 Cb 0.17 -0.95 -0.08 0.00 0.00 0.00 0.00 33.22 32.36 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 6.16 0.00 6.12 2.15 -1.23 -4.94 116.67 122.87 3h1k s ASP 20 Ca 0.00 -1.15 0.00 0.00 0.43 0.00 0.00 52.55 51.83 3h1k s ASP 20 Cb 0.00 -2.20 0.00 0.00 -0.30 0.00 0.00 42.92 40.42 3h1k s ASP 20 CO 0.00 -0.66 0.07 0.00 -0.17 0.00 0.00 175.17 174.41 3h1k n ALA 21 N 5.40 1.52 -1.46 3.66 0.00 -1.26 -0.61 120.51 127.75 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 0.45 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 0.90 0.00 -4.73 0.00 -2.24 -1.26 -5.06 114.28 101.89 3h1k n THR 22 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 3h1k n THR 22 Cb 0.04 0.66 -0.17 0.00 -2.10 0.00 0.00 70.33 68.76 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 1.65 -0.13 4.28 2.01 0.22 -5.09 115.64 118.58 3h1k s THR 23 Ca 0.00 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 60.94 3h1k s THR 23 Cb 0.00 -1.47 -0.08 0.00 0.01 0.00 0.00 72.50 70.96 3h1k s THR 23 CO 0.00 0.47 2.09 -0.24 -0.69 0.00 0.00 174.62 176.25 3h1k n SER 24 N 3.91 3.46 0.26 3.53 2.88 -1.26 -4.83 113.62 121.56 3h1k n SER 24 Ca -0.20 0.56 0.09 0.00 -1.33 0.00 0.00 58.87 57.99 3h1k n SER 24 Cb 0.52 -1.49 0.67 0.00 -0.75 0.00 0.00 64.21 63.16 3h1k n SER 24 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3h1k h SER 25 N 12.52 0.00 0.00 -3.46 4.64 -1.95 -2.93 113.55 122.36 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 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3h1k h SER 25 CO 0.96 0.05 0.06 0.00 -0.87 0.00 0.00 176.83 177.03 3h1k n GLN 26 N -4.27 0.00 -0.12 4.77 1.13 -1.26 -1.24 117.38 116.40 3h1k n GLN 26 Ca -0.03 0.30 -0.25 0.00 -1.94 0.00 0.00 57.00 55.08 3h1k n GLN 26 Cb 0.14 -1.56 -0.11 0.00 0.11 0.00 0.00 30.24 28.82 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 -1.28 1.55 1.06 5.09 -2.24 -1.11 -4.27 114.28 113.07 3h1k n THR 27 Ca 0.00 -0.27 0.12 0.00 -2.27 0.00 0.00 64.05 61.63 3h1k n THR 27 Cb 0.06 -1.91 0.59 0.00 -2.10 0.00 0.00 70.33 66.97 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 -4.21 0.00 0.02 3.42 3.41 -0.82 -4.05 113.62 111.38 3h1k n SER 28 Ca -0.44 0.13 -0.05 0.00 -0.26 0.00 0.00 58.87 58.25 3h1k n SER 28 Cb 0.82 -0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 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 -0.54 -0.98 4.04 4.64 -1.35 -1.04 113.55 118.33 3h1k h SER 29 Ca 0.00 0.06 0.29 0.00 -0.47 0.00 0.00 61.79 61.67 3h1k h SER 29 Cb 0.30 0.20 -0.14 0.00 -0.31 0.00 0.00 62.40 62.45 3h1k h SER 29 CO 0.00 -0.17 0.51 -0.33 -0.87 0.00 0.00 176.83 175.96 3h1k h GLU 30 N -0.23 0.35 0.46 4.77 5.08 -1.85 -1.51 114.58 121.66 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 0.24 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3h1k h GLU 30 CO -0.11 0.23 -0.22 -0.44 -1.00 0.00 0.00 179.01 177.47 3h1k h ASP 31 N 0.36 -0.53 -0.89 1.42 3.45 -1.68 -0.08 116.42 118.48 3h1k h ASP 31 Ca 0.68 0.02 0.17 0.00 0.43 0.00 0.00 57.03 58.32 3h1k h ASP 31 Cb 1.46 0.14 -0.16 0.00 -0.56 0.00 0.00 39.33 40.20 3h1k h ASP 31 CO -0.59 -0.32 -0.25 0.54 -1.57 0.00 0.00 179.24 177.05 3h1k n ARG 32 N -3.98 -0.11 0.04 3.56 1.74 -0.44 -1.41 116.66 116.06 3h1k n ARG 32 Ca -0.08 1.38 -0.12 0.00 -0.77 0.00 0.00 57.85 58.26 3h1k n ARG 32 Cb 0.25 -2.05 -0.08 0.00 -1.02 0.00 0.00 32.46 29.55 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 -0.17 -1.47 5.56 1.57 -1.44 -3.20 116.57 117.42 3h1k h LYS 33 Ca 0.40 0.01 0.44 0.00 -1.87 0.00 0.00 60.65 59.63 3h1k h LYS 33 Cb 0.62 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.88 3h1k h LYS 33 CO -0.91 0.30 1.02 0.78 -0.57 0.00 0.00 179.45 180.07 3h1k h GLY 34 N -0.78 0.50 0.19 3.86 0.00 0.21 0.26 103.07 107.30 3h1k h GLY 34 Ca -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 3h1k h GLY 34 CO 0.03 -0.13 -0.09 -2.75 0.00 0.00 0.00 176.54 173.60 3h1k h PHE 35 N 0.06 -0.23 -0.64 5.60 3.57 -1.27 -2.15 116.94 121.88 3h1k h PHE 35 Ca 0.76 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 62.39 3h1k h PHE 35 Cb 2.77 0.08 -0.10 0.00 2.79 0.00 0.00 35.95 41.49 3h1k h PHE 35 CO -0.00 -0.14 0.11 0.77 -2.23 0.00 0.00 178.31 176.81 3h1k h SER 36 N -0.40 -0.07 -0.03 0.41 0.02 -1.36 0.87 113.55 112.99 3h1k h SER 36 Ca -0.03 0.13 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3h1k h SER 36 Cb 0.19 0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 3h1k h SER 36 CO 0.04 -0.04 0.04 1.88 -1.14 0.00 0.00 176.83 177.62 3h1k h TYR 37 N 0.22 0.00 0.01 3.45 0.99 -0.60 0.36 116.97 121.41 3h1k h TYR 37 Ca 0.34 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.07 3h1k h TYR 37 Cb 0.55 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.28 3h1k h TYR 37 CO -0.28 0.00 -0.01 1.25 -0.00 0.00 0.00 178.16 179.12 3h1k h LEU 38 N 0.00 -0.02 -0.57 3.88 6.46 0.14 0.22 115.31 125.42 3h1k h LEU 38 Ca 0.01 -0.78 0.08 0.00 -0.12 0.00 0.00 57.88 57.07 3h1k h LEU 38 Cb 0.10 0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 39.93 3h1k h LEU 38 CO -0.00 0.81 -0.49 0.58 -0.62 0.00 0.00 178.44 178.72 3h1k h VAL 39 N -0.88 0.05 0.07 1.05 2.07 0.43 0.92 116.25 119.97 3h1k h VAL 39 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3h1k h VAL 39 Cb 0.79 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3h1k h VAL 39 CO 0.00 0.00 -0.17 0.74 0.02 0.00 0.00 177.57 178.16 3h1k h THR 40 N -0.26 0.00 -0.99 2.57 2.02 -1.04 0.20 112.91 115.41 3h1k h THR 40 Ca 0.15 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.52 3h1k h THR 40 Cb 0.56 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.79 3h1k h THR 40 CO -0.69 0.00 -0.27 0.00 0.37 0.00 0.00 175.52 174.94 3h1k h ALA 41 N -1.29 0.58 0.59 6.16 0.00 0.26 0.11 119.26 125.67 3h1k h ALA 41 Ca -0.01 0.37 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 3h1k h ALA 41 Cb 0.25 0.79 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3h1k h ALA 41 CO -0.08 -0.42 -0.49 1.15 0.00 0.00 0.00 179.25 179.42 3h1k h THR 42 N -0.00 0.03 -1.28 0.00 2.02 0.15 -1.89 112.91 111.94 3h1k h THR 42 Ca 0.46 0.00 0.37 0.00 0.77 0.00 0.00 66.41 68.01 3h1k h THR 42 Cb 0.71 0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 67.10 3h1k h THR 42 CO -1.02 0.00 1.04 0.00 0.37 0.00 0.00 175.52 175.91 3h1k h ALA 43 N -0.91 3.18 -0.01 6.16 0.00 0.19 0.37 119.26 128.26 3h1k h ALA 43 Ca -0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3h1k h ALA 43 Cb 0.89 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3h1k h ALA 43 CO -0.01 -1.70 -0.02 0.00 0.00 0.00 0.00 179.25 177.52 3h1k h VAL 45 N -0.57 1.04 -0.19 0.00 2.07 -0.04 0.39 116.25 118.96 3h1k h VAL 45 Ca -0.00 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.20 3h1k h VAL 45 Cb 0.64 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3h1k h VAL 45 CO 0.01 0.19 -0.01 0.00 0.02 0.00 0.00 177.57 177.77 3h1k h ALA 46 N 1.42 0.15 0.06 1.67 0.00 -1.11 -0.97 119.26 120.49 3h1k h ALA 46 Ca 0.39 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 3h1k h ALA 46 Cb 0.19 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3h1k h ALA 46 CO -0.18 -0.45 -0.04 1.15 0.00 0.00 0.00 179.25 179.73 3h1k h THR 47 N 0.05 0.00 -0.39 0.00 2.02 -0.15 -3.08 112.91 111.35 3h1k h THR 47 Ca 0.09 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.30 3h1k h THR 47 Cb 0.12 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.48 3h1k h THR 47 CO -0.16 0.00 -0.23 0.00 0.37 0.00 0.00 175.52 175.50 3h1k n ALA 48 N -2.18 -0.25 -0.30 6.16 0.00 0.13 -0.40 120.51 123.67 3h1k n ALA 48 Ca -0.01 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3h1k n ALA 48 Cb 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 -4.44 0.00 -0.27 0.00 9.36 -0.38 0.20 117.16 121.63 3h1k n TYR 49 Ca 0.01 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.20 3h1k n TYR 49 Cb 0.10 -0.35 0.03 0.00 -0.63 0.00 0.00 39.34 38.49 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 -1.39 0.08 0.03 2.98 0.00 -0.64 -0.49 119.26 119.81 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 0.84 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3h1k h ALA 50 CO 0.00 -0.63 -0.35 0.00 0.00 0.00 0.00 179.25 178.27 3h1k h ALA 51 N 1.19 -0.81 -0.70 0.00 0.00 -0.34 0.27 119.26 118.87 3h1k h ALA 51 Ca 0.28 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.26 3h1k h ALA 51 Cb 0.57 0.78 -0.13 0.00 0.00 0.00 0.00 17.79 19.01 3h1k h ALA 51 CO -0.79 -0.91 -0.28 -0.22 0.00 0.00 0.00 179.25 177.05 3h1k h LYS 52 N -0.46 -0.08 0.49 0.00 3.11 0.47 -0.16 116.57 119.94 3h1k h LYS 52 Ca 0.00 0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.83 3h1k h LYS 52 Cb 0.48 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.72 3h1k h LYS 52 CO -0.22 -0.05 -0.31 -0.91 -2.81 0.00 0.00 179.45 175.15 3h1k h ASN 53 N -0.08 -0.80 -1.01 4.20 2.35 -0.19 -0.20 115.58 119.85 3h1k h ASN 53 Ca 0.30 0.05 0.32 0.00 -0.55 0.00 0.00 56.30 56.41 3h1k h ASN 53 Cb 0.56 0.24 -0.15 0.00 0.05 0.00 0.00 38.32 39.02 3h1k h ASN 53 CO -0.75 -0.47 0.58 0.58 -1.65 0.00 0.00 177.43 175.72 3h1k h VAL 54 N -0.75 0.31 -0.29 2.81 2.07 -0.05 0.26 116.25 120.62 3h1k h VAL 54 Ca -0.06 -0.11 -0.11 0.00 0.82 0.00 0.00 66.70 67.23 3h1k h VAL 54 Cb 0.61 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3h1k h VAL 54 CO 0.06 0.06 -0.25 0.58 0.02 0.00 0.00 177.57 178.04 3h1k h VAL 55 N 0.33 1.30 0.13 2.57 2.07 -0.75 -1.44 116.25 120.47 3h1k h VAL 55 Ca 0.73 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 3h1k h VAL 55 Cb 1.68 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 3h1k h VAL 55 CO -0.58 0.45 -0.09 0.74 0.02 0.00 0.00 177.57 178.10 3h1k h THR 56 N 0.41 0.79 -0.65 2.57 2.02 0.11 -0.17 112.91 117.99 3h1k h THR 56 Ca 0.05 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.36 3h1k h THR 56 Cb 0.81 0.79 -0.12 0.00 -1.74 0.00 0.00 68.15 67.89 3h1k h THR 56 CO 0.06 0.00 -0.10 1.56 0.37 0.00 0.00 175.52 177.41 3h1k h GLN 57 N -0.23 0.04 -0.00 6.66 4.20 -0.51 0.13 115.11 125.41 3h1k h GLN 57 Ca -0.01 -0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 3h1k h GLN 57 Cb 0.20 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 3h1k h GLN 57 CO -0.00 0.02 -0.70 0.74 -0.67 0.00 0.00 178.83 178.22 3h1k h PHE 58 N 0.04 0.00 -0.06 2.96 0.05 -0.99 -2.75 116.94 116.19 3h1k h PHE 58 Ca 0.33 -0.00 -0.17 0.00 3.82 0.00 0.00 57.97 61.95 3h1k h PHE 58 Cb 0.52 -0.00 0.01 0.00 2.00 0.00 0.00 35.95 38.48 3h1k h PHE 58 CO -0.47 0.70 -0.61 0.82 -0.18 0.00 0.00 178.31 178.57 3h1k h ILE 59 N 0.00 1.37 0.00 -0.55 1.08 0.38 -2.30 117.51 117.49 3h1k h ILE 59 Ca -0.01 -1.96 0.00 0.00 -0.39 0.00 0.00 64.86 62.50 3h1k h ILE 59 Cb 1.24 2.33 0.00 0.00 -3.07 0.00 0.00 36.82 37.31 3h1k h ILE 59 CO 0.09 0.59 0.00 0.77 -0.69 0.00 0.00 178.15 178.91 3h1k h SER 60 N 0.11 0.00 -0.76 1.72 4.64 -0.84 -2.12 113.55 116.30 3h1k h SER 60 Ca -0.06 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.28 3h1k h SER 60 Cb 1.27 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.32 3h1k h SER 60 CO 0.12 0.00 0.50 -1.28 -0.87 0.00 0.00 176.83 175.31 3h1k h SER 61 N 0.00 0.84 1.77 4.97 0.87 -1.09 -2.47 113.55 118.43 3h1k h SER 61 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 3h1k h SER 61 Cb 0.25 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 3h1k h SER 61 CO 0.00 0.59 -0.07 -0.07 -0.53 0.00 0.00 176.83 176.75 3h1k h LEU 62 N 0.98 0.00-10.34 2.23 3.38 -1.45 -3.46 115.31 106.65 3h1k h LEU 62 Ca 0.29 -0.01 -0.41 0.00 0.09 0.00 0.00 57.88 57.85 3h1k h LEU 62 Cb -0.03 0.00 0.20 0.00 0.09 0.00 0.00 40.66 40.91 3h1k h LEU 62 CO -0.07 0.00 0.09 -0.94 0.09 0.00 0.00 178.44 177.61 3h1k s SER 63 N -5.67 0.58 0.35 -0.43 1.04 -0.93 -4.92 113.70 103.72 3h1k s SER 63 Ca 0.08 0.66 -0.28 0.00 0.48 0.00 0.00 55.95 56.89 3h1k s SER 63 Cb 0.07 -0.92 -0.12 0.00 0.10 0.00 0.00 66.02 65.16 3h1k s SER 63 CO 0.66 -4.34 1.35 0.00 0.98 0.00 0.00 173.24 171.89 3h1k n ALA 64 N -4.91 1.63 -2.24 5.32 0.00 -1.26 -5.01 120.51 114.03 3h1k n ALA 64 Ca 0.13 0.36 -0.24 0.00 0.00 0.00 0.00 53.44 53.69 3h1k n ALA 64 Cb 0.60 -2.31 0.02 0.00 0.00 0.00 0.00 19.45 17.76 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 -0.24 5.77 0.33 0.00 1.04 -1.26 -4.87 113.70 114.47 3h1k s SER 65 Ca 0.55 0.44 0.10 0.00 0.48 0.00 0.00 55.95 57.52 3h1k s SER 65 Cb -0.54 -1.61 0.99 0.00 0.10 0.00 0.00 66.02 64.96 3h1k s SER 65 CO 0.62 -0.81 1.55 0.00 0.98 0.00 0.00 173.24 175.58 3h1k n ALA 66 N -2.24 0.71 0.04 5.32 0.00 -1.26 -1.07 120.51 122.02 3h1k n ALA 66 Ca 0.02 1.04 -0.11 0.00 0.00 0.00 0.00 53.44 54.39 3h1k n ALA 66 Cb 0.58 -0.87 -0.08 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.16 0.00 0.00 2.03 -1.99 -2.76 116.42 113.53 3h1k h ASP 67 Ca 0.70 -0.38 -0.00 0.00 -0.73 0.00 0.00 57.03 56.62 3h1k h ASP 67 Cb 1.64 0.04 -0.00 0.00 -0.83 0.00 0.00 39.33 40.18 3h1k h ASP 67 CO -0.86 0.41 -0.00 0.58 -1.03 0.00 0.00 179.24 178.34 3h1k h VAL 68 N -0.86 0.50 0.00 4.15 2.07 -1.77 0.51 116.25 120.85 3h1k h VAL 68 Ca -0.02 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3h1k h VAL 68 Cb 0.53 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3h1k h VAL 68 CO 0.03 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.55 3h1k h LEU 69 N 0.00 0.00 0.13 2.57 3.38 -1.12 -3.09 115.31 117.18 3h1k h LEU 69 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3h1k h LEU 69 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3h1k h LEU 69 CO 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 178.44 178.47 3h1k h ALA 70 N 2.45 -0.18 0.00 1.53 0.00 0.33 -3.07 119.26 120.32 3h1k h ALA 70 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3h1k h ALA 70 Cb 0.77 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3h1k h ALA 70 CO 0.00 -0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.31 3h1k n LEU 71 N -4.87 0.00 -0.05 0.00 4.77 -1.07 -3.71 117.00 112.07 3h1k n LEU 71 Ca -0.07 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.80 3h1k n LEU 71 Cb 0.24 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 3h1k n LEU 71 CO 0.21 0.00 0.50 -1.28 -1.33 0.00 0.00 177.39 175.49 3h1k h SER 72 N 0.00 -1.44 -2.85 -1.43 0.87 -1.45 -3.40 113.55 103.85 3h1k h SER 72 Ca 0.00 0.18 -0.60 0.00 -1.23 0.00 0.00 61.79 60.14 3h1k h SER 72 Cb 0.00 0.57 -0.11 0.00 -0.44 0.00 0.00 62.40 62.42 3h1k h SER 72 CO 0.00 -0.36 -0.66 -1.59 -0.53 0.00 0.00 176.83 173.69 3h1k s LYS 73 N -5.15 2.38 -0.01 2.24 -2.85 -1.24 -4.71 119.74 110.39 3h1k s LYS 73 Ca -0.12 -1.13 0.00 0.00 -1.00 0.00 0.00 55.97 53.72 3h1k s LYS 73 Cb 0.06 -2.34 0.01 0.00 -2.06 0.00 0.00 37.83 33.51 3h1k s LYS 73 CO 0.49 0.45 -0.00 -1.50 0.10 0.00 0.00 175.35 174.89 3h1k s ILE 74 N -1.76 0.12 0.19 3.79 2.07 -1.07 -5.01 121.20 119.53 3h1k s ILE 74 Ca 0.27 0.03 0.06 0.00 -1.41 0.00 0.00 60.65 59.61 3h1k s ILE 74 Cb -0.09 -0.17 -0.04 0.00 0.13 0.00 0.00 42.46 42.29 3h1k s ILE 74 CO 0.18 0.09 0.10 -1.83 -1.91 0.00 0.00 174.94 171.57 3h1k s GLU 75 N 0.53 2.74 -0.06 3.50 -1.05 -1.26 -1.96 118.70 121.14 3h1k s GLU 75 Ca -0.05 -1.01 0.01 0.00 -0.15 0.00 0.00 54.97 53.78 3h1k s GLU 75 Cb -0.07 -2.52 0.02 0.00 -0.44 0.00 0.00 34.13 31.11 3h1k s GLU 75 CO -0.01 0.45 -0.06 0.42 0.95 0.00 0.00 175.26 177.01 3h1k s ILE 76 N -1.86 0.69 -0.19 1.83 1.01 0.54 -4.96 121.20 118.25 3h1k s ILE 76 Ca 0.30 -0.19 -0.29 0.00 0.00 0.00 0.00 60.65 60.47 3h1k s ILE 76 Cb -0.09 -0.70 -0.01 0.00 0.01 0.00 0.00 42.46 41.68 3h1k s ILE 76 CO 0.22 0.27 1.17 -0.75 0.00 0.00 0.00 174.94 175.85 3h1k s LYS 77 N 1.01 4.25 0.00 2.79 2.20 -1.26 -1.74 119.74 126.99 3h1k s LYS 77 Ca -0.09 1.54 0.20 0.00 -0.36 0.00 0.00 55.97 57.26 3h1k s LYS 77 Cb -0.14 -3.70 1.18 0.00 -1.51 0.00 0.00 37.83 33.65 3h1k s LYS 77 CO -0.00 -0.66 1.76 1.28 -0.36 0.00 0.00 175.35 177.37 3h1k n LEU 78 N 6.42 0.10 -2.44 5.43 4.77 -0.83 -3.86 117.00 126.59 3h1k n LEU 78 Ca 0.13 -0.04 -0.27 0.00 -0.03 0.00 0.00 56.01 55.80 3h1k n LEU 78 Cb 0.45 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3h1k n LEU 78 CO 0.54 0.02 0.22 -1.54 -1.33 0.00 0.00 177.39 175.30 3h1k n SER 79 N -0.75 4.79 0.00 -1.43 3.41 -1.26 -4.58 113.62 113.81 3h1k n SER 79 Ca 0.15 -3.73 0.00 0.00 -0.26 0.00 0.00 58.87 55.04 3h1k n SER 79 Cb 0.09 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 3h1k n SER 79 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3h1k n ASP 80 N -0.51 0.00 -4.42 4.04 2.03 -1.25 -5.11 116.55 111.33 3h1k n ASP 80 Ca 0.40 -0.86 -0.37 0.00 0.52 0.00 0.00 54.79 54.49 3h1k n ASP 80 Cb 0.68 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.96 3h1k n ASP 80 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3h1k s ILE 81 N 0.00 4.21 0.70 5.18 1.01 -1.26 -5.11 121.20 125.93 3h1k s ILE 81 Ca 0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.27 3h1k s ILE 81 Cb 0.00 -3.00 0.01 0.00 0.01 0.00 0.00 42.46 39.48 3h1k s ILE 81 CO 0.00 0.30 1.06 -2.16 0.00 0.00 0.00 174.94 174.15 3h1k s PRO 82 N 1.59 2.90 0.28 2.79 0.04 -1.26 -4.91 135.00 136.43 3h1k s PRO 82 Ca 0.06 0.83 -0.29 0.00 0.04 0.00 0.00 61.00 61.63 3h1k s PRO 82 Cb -0.15 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 3h1k s PRO 82 CO 0.03 -1.09 1.39 -1.21 0.04 0.00 0.00 177.00 176.16 3h1k s GLU 83 N -5.11 4.30 0.00 4.56 2.02 -1.26 -4.02 118.70 119.19 3h1k s GLU 83 Ca 0.58 2.27 0.00 0.00 0.02 0.00 0.00 54.97 57.84 3h1k s GLU 83 Cb -0.13 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 31.00 3h1k s GLU 83 CO 0.54 -0.34 0.00 0.41 0.02 0.00 0.00 175.26 175.90 3h1k n GLY 84 N 1.65 2.05 3.60 -1.39 0.00 0.28 -4.85 105.19 106.53 3h1k n GLY 84 Ca 0.04 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 3h1k n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h1k n LYS 85 N 0.00 1.37 -4.65 1.61 4.76 -1.26 -4.67 118.16 115.32 3h1k n LYS 85 Ca 0.00 0.48 -0.31 0.00 -2.87 0.00 0.00 58.31 55.61 3h1k n LYS 85 Cb 0.00 -1.93 -0.12 0.00 -1.84 0.00 0.00 35.03 31.14 3h1k n LYS 85 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3h1k s ASN 86 N -0.62 3.93 -0.04 4.39 2.47 -1.26 -4.15 114.94 119.65 3h1k s ASN 86 Ca 0.60 -0.37 0.02 0.00 0.42 0.00 0.00 52.86 53.53 3h1k s ASN 86 Cb -0.63 -0.69 0.01 0.00 -1.45 0.00 0.00 41.25 38.49 3h1k s ASN 86 CO 0.59 0.26 -0.08 -0.69 -3.72 0.00 0.00 177.10 173.46 3h1k s VAL 87 N -0.92 0.79 -0.01 -5.21 1.01 -1.26 -5.08 120.40 109.71 3h1k s VAL 87 Ca 0.15 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.85 3h1k s VAL 87 Cb -0.11 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 3h1k s VAL 87 CO 0.05 0.27 -0.05 0.00 0.00 0.00 0.00 175.10 175.38 3h1k s ALA 88 N 0.60 3.10 0.00 5.51 0.00 -1.26 -3.81 121.76 125.89 3h1k s ALA 88 Ca -0.10 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.89 3h1k s ALA 88 Cb -0.13 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 21.77 3h1k s ALA 88 CO 0.01 0.62 0.00 1.19 0.00 0.00 0.00 175.76 177.58 3h1k n PHE 89 N 1.64 0.00 -3.68 0.00 3.01 -0.81 -4.94 117.46 112.68 3h1k n PHE 89 Ca -0.16 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.14 3h1k n PHE 89 Cb 0.53 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.85 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 0.06 -0.01 -1.08 2.20 -1.26 -3.33 119.74 119.09 3h1k s LYS 90 Ca 0.00 0.55 0.02 0.00 -0.36 0.00 0.00 55.97 56.18 3h1k s LYS 90 Cb 0.00 -0.23 -0.00 0.00 -1.51 0.00 0.00 37.83 36.09 3h1k s LYS 90 CO 0.00 -0.28 -0.06 -0.46 -0.36 0.00 0.00 175.35 174.19 3h1k s TRP 91 N 2.12 0.57 -1.22 4.03 -0.00 -0.46 -4.83 118.94 119.15 3h1k s TRP 91 Ca 0.01 -0.11 -0.13 0.00 -0.00 0.00 0.00 56.10 55.86 3h1k s TRP 91 Cb -0.12 -0.39 0.13 0.00 -0.00 0.00 0.00 33.47 33.10 3h1k s TRP 91 CO -0.06 -0.03 0.34 0.54 -0.00 0.00 0.00 176.95 177.74 3h1k n ARG 92 N 3.04 -0.83 0.00 5.86 1.74 -1.26 -0.03 116.66 125.17 3h1k n ARG 92 Ca -0.14 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3h1k n ARG 92 Cb 0.57 -3.02 0.00 0.00 -1.02 0.00 0.00 32.46 28.99 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 -1.05 2.26 3.75 -0.13 0.00 -1.26 -4.99 105.19 103.76 3h1k n GLY 93 Ca 0.03 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 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 4.79 0.82 1.61 1.02 0.95 -5.00 119.74 123.94 3h1k s LYS 94 Ca 0.00 1.52 -0.13 0.00 0.02 0.00 0.00 55.97 57.38 3h1k s LYS 94 Cb 0.00 -3.29 0.09 0.00 -0.52 0.00 0.00 37.83 34.11 3h1k s LYS 94 CO 0.00 0.41 1.19 -2.30 -0.92 0.00 0.00 175.35 173.73 3h1k n PRO 95 N 1.77 0.13 -4.62 -1.68 -0.02 -1.26 -1.35 135.00 127.97 3h1k n PRO 95 Ca -0.01 0.12 -0.27 0.00 -2.02 0.00 0.00 63.50 61.32 3h1k n PRO 95 Cb 0.47 -2.43 -0.17 0.00 -0.02 0.00 0.00 33.50 31.36 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 -5.67 1.72 -0.20 2.45 2.96 -1.21 0.34 118.68 119.06 3h1k s LEU 96 Ca 0.73 -0.38 -0.11 0.00 -0.22 0.00 0.00 54.13 54.15 3h1k s LEU 96 Cb -0.29 -0.99 -0.05 0.00 0.50 0.00 0.00 46.19 45.36 3h1k s LEU 96 CO 0.51 0.04 0.18 -0.36 -1.32 0.00 0.00 176.35 175.41 3h1k s PHE 97 N 0.75 3.41 -0.30 5.38 0.08 -0.37 -1.93 117.98 125.01 3h1k s PHE 97 Ca -0.12 0.38 -0.03 0.00 0.12 0.00 0.00 56.93 57.29 3h1k s PHE 97 Cb -0.16 -2.23 0.11 0.00 -0.57 0.00 0.00 43.02 40.17 3h1k s PHE 97 CO 0.03 0.23 0.18 0.08 -0.10 0.00 0.00 175.22 175.64 3h1k s VAL 98 N 0.53 -0.14 -0.00 -0.44 1.01 -1.25 -1.00 120.40 119.11 3h1k s VAL 98 Ca 0.10 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.34 3h1k s VAL 98 Cb -0.12 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 3h1k s VAL 98 CO 0.01 -0.69 -0.04 -0.60 0.00 0.00 0.00 175.10 173.78 3h1k s ARG 99 N 2.07 2.65 -0.57 2.72 3.52 -1.06 -4.14 118.95 124.14 3h1k s ARG 99 Ca 0.10 -0.67 -0.12 0.00 -0.13 0.00 0.00 55.73 54.91 3h1k s ARG 99 Cb -0.16 -2.57 0.14 0.00 -1.56 0.00 0.00 34.95 30.80 3h1k s ARG 99 CO -0.33 0.61 0.48 -1.58 -0.81 0.00 0.00 175.30 173.68 3h1k s HIS 100 N -1.03 3.43 0.27 5.12 5.65 -1.26 -3.05 115.29 124.42 3h1k s HIS 100 Ca 0.18 -1.79 -0.29 0.00 0.25 0.00 0.00 55.06 53.40 3h1k s HIS 100 Cb -0.11 -3.63 -0.09 0.00 -1.18 0.00 0.00 32.58 27.57 3h1k s HIS 100 CO 0.08 -0.99 1.10 -0.98 -0.65 0.00 0.00 174.74 173.31 3h1k s ARG 101 N 1.09 4.64 0.00 2.88 1.70 -0.62 0.10 118.95 128.74 3h1k s ARG 101 Ca 0.08 1.80 0.00 0.00 -0.47 0.00 0.00 55.73 57.14 3h1k s ARG 101 Cb -0.24 -3.20 0.00 0.00 -0.57 0.00 0.00 34.95 30.94 3h1k s ARG 101 CO -0.01 0.20 0.00 0.25 -1.08 0.00 0.00 175.30 174.65 3h1k n THR 102 N 1.32 0.00 -1.41 4.99 -2.24 -1.26 -4.69 114.28 110.99 3h1k n THR 102 Ca -0.01 0.34 0.00 0.00 -2.27 0.00 0.00 64.05 62.11 3h1k n THR 102 Cb 0.45 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 3h1k n THR 102 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h1k n GLN 103 N 0.00 0.00 -0.86 -0.78 6.02 -1.26 -4.89 117.38 115.61 3h1k n GLN 103 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.82 3h1k n GLN 103 Cb 0.00 -0.12 0.12 0.00 1.02 0.00 0.00 30.24 31.26 3h1k n GLN 103 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h1k n ALA 104 N 0.00 4.72 0.00 -1.58 0.00 -1.26 -3.81 120.51 118.58 3h1k n ALA 104 Ca 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 53.44 51.42 3h1k n ALA 104 Cb 0.18 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3h1k n ALA 104 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h1k n GLU 105 N -0.58 2.60 0.00 0.00 1.02 -1.26 -4.13 120.64 118.29 3h1k n GLU 105 Ca 0.41 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.63 3h1k n GLU 105 Cb 1.23 -0.27 -0.08 0.00 -0.02 0.00 0.00 31.44 32.30 3h1k n GLU 105 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3h1k n ILE 106 N -0.34 0.00 -0.01 -3.67 5.41 -1.25 -3.53 119.36 115.98 3h1k n ILE 106 Ca 0.00 -0.14 -0.00 0.00 1.00 0.00 0.00 62.75 63.61 3h1k n ILE 106 Cb 0.00 1.03 -0.02 0.00 -0.71 0.00 0.00 39.64 39.94 3h1k n ILE 106 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3h1k n ASN 107 N -1.19 4.43 -0.13 4.38 3.02 -1.25 -4.46 115.26 120.04 3h1k n ASN 107 Ca 0.04 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.35 3h1k n ASN 107 Cb 0.28 0.81 -0.11 0.00 -0.61 0.00 0.00 39.78 40.15 3h1k n ASN 107 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3h1k n GLN 108 N -1.86 0.61 -1.41 3.52 7.27 -1.26 -4.45 117.38 119.80 3h1k n GLN 108 Ca -0.02 0.21 -0.19 0.00 0.07 0.00 0.00 57.00 57.06 3h1k n GLN 108 Cb 0.34 -1.50 0.10 0.00 2.41 0.00 0.00 30.24 31.60 3h1k n GLN 108 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3h1k n GLU 109 N -3.78 2.73 0.00 3.69 -0.58 -1.23 -4.12 120.64 117.35 3h1k n GLU 109 Ca -0.50 -3.60 0.00 0.00 -0.42 0.00 0.00 57.16 52.64 3h1k n GLU 109 Cb 0.93 -2.11 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 3h1k n GLU 109 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h1k n ALA 110 N -0.92 0.71 0.67 0.62 0.00 -1.24 -4.68 120.51 115.67 3h1k n ALA 110 Ca 0.45 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.96 3h1k n ALA 110 Cb 0.93 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.40 3h1k n ALA 110 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h1k n GLU 111 N -0.41 1.59 -1.65 0.00 1.02 -1.26 -5.00 120.64 114.93 3h1k n GLU 111 Ca 0.00 -0.97 -0.65 0.00 -0.02 0.00 0.00 57.16 55.51 3h1k n GLU 111 Cb 0.00 -1.26 -0.10 0.00 -0.02 0.00 0.00 31.44 30.06 3h1k n GLU 111 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3h1k n VAL 112 N 0.16 0.03 -3.22 2.62 0.24 -1.26 -4.87 118.33 112.03 3h1k n VAL 112 Ca 0.07 -0.01 -0.46 0.00 -2.04 0.00 0.00 64.34 61.90 3h1k n VAL 112 Cb 0.34 -0.58 -0.03 0.00 -1.47 0.00 0.00 33.84 32.10 3h1k n VAL 112 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3h1k s ASP 113 N 3.66 6.54 -0.20 -1.34 -1.08 -1.26 -5.00 116.67 118.00 3h1k s ASP 113 Ca 1.07 -2.22 -0.01 0.00 -0.52 0.00 0.00 52.55 50.87 3h1k s ASP 113 Cb -1.45 -2.26 0.05 0.00 -1.46 0.00 0.00 42.92 37.80 3h1k s ASP 113 CO 0.77 -0.80 -0.01 -0.69 0.52 0.00 0.00 175.17 174.96 3h1k s VAL 114 N 1.25 0.98 0.00 1.11 1.01 -1.26 -5.11 120.40 118.38 3h1k s VAL 114 Ca 0.17 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3h1k s VAL 114 Cb -0.15 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.91 3h1k s VAL 114 CO -0.04 -0.08 0.00 -1.20 0.00 0.00 0.00 175.10 173.77 3h1k n SER 115 N 4.89 0.00 -4.55 3.32 7.64 -1.26 -4.42 113.62 119.23 3h1k n SER 115 Ca -0.11 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.47 3h1k n SER 115 Cb 0.46 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.62 3h1k n SER 115 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3h1k s LYS 116 N 0.00 2.02 -0.01 1.43 3.01 -1.26 -4.95 119.74 119.99 3h1k s LYS 116 Ca 0.00 1.08 -0.21 0.00 -1.01 0.00 0.00 55.97 55.83 3h1k s LYS 116 Cb 0.00 -4.63 -0.05 0.00 -1.01 0.00 0.00 37.83 32.14 3h1k s LYS 116 CO 0.00 -3.53 0.61 -1.17 0.51 0.00 0.00 175.35 171.77 3h1k s LEU 117 N 12.56 4.41 -0.42 3.17 2.96 -1.26 -4.98 118.68 135.12 3h1k s LEU 117 Ca 0.93 1.17 -0.01 0.00 -0.22 0.00 0.00 54.13 56.00 3h1k s LEU 117 Cb -0.15 -2.94 0.31 0.00 0.50 0.00 0.00 46.19 43.91 3h1k s LEU 117 CO 0.20 0.09 1.98 -1.14 -1.32 0.00 0.00 176.35 176.16 3h1k n ARG 118 N 2.79 2.07 0.00 1.98 0.63 -1.26 -4.80 116.66 118.07 3h1k n ARG 118 Ca -0.06 -2.13 0.00 0.00 -0.92 0.00 0.00 57.85 54.74 3h1k n ARG 118 Cb 0.51 -1.84 0.00 0.00 0.45 0.00 0.00 32.46 31.58 3h1k n ARG 118 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 3h1k n ASP 119 N -0.14 0.00 -4.52 6.15 -0.08 -1.26 -4.80 116.55 111.90 3h1k n ASP 119 Ca 0.41 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.49 3h1k n ASP 119 Cb 0.68 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 44.04 3h1k n ASP 119 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3h1k n PRO 120 N 0.00 0.53 -3.85 -0.67 -0.04 -1.26 -4.86 135.00 124.85 3h1k n PRO 120 Ca 0.00 -1.90 -0.33 0.00 -0.04 0.00 0.00 63.50 61.23 3h1k n PRO 120 Cb 0.00 -3.83 -0.12 0.00 -0.04 0.00 0.00 33.50 29.51 3h1k n PRO 120 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 3h1k s GLN 121 N 7.87 2.16 -0.12 0.54 2.00 -1.26 -5.08 119.66 125.78 3h1k s GLN 121 Ca 0.77 -2.45 -0.04 0.00 -2.00 0.00 0.00 55.36 51.64 3h1k s GLN 121 Cb -0.03 -3.49 -0.04 0.00 0.80 0.00 0.00 33.01 30.26 3h1k s GLN 121 CO 0.18 -1.11 0.05 -1.58 -0.50 0.00 0.00 175.29 172.33 3h1k s HIS 122 N 0.04 3.30 0.00 1.67 2.46 -1.26 -5.00 115.29 116.50 3h1k s HIS 122 Ca 0.16 0.26 0.00 0.00 0.47 0.00 0.00 55.06 55.94 3h1k s HIS 122 Cb -0.23 -1.89 0.00 0.00 -0.13 0.00 0.00 32.58 30.33 3h1k s HIS 122 CO -0.03 0.48 1.70 -3.47 -2.47 0.00 0.00 174.74 170.95 3h1k n ASP 123 N 2.39 4.63 0.00 9.88 4.64 -1.26 -2.86 116.55 133.97 3h1k n ASP 123 Ca -0.19 -2.26 0.00 0.00 -1.38 0.00 0.00 54.79 50.96 3h1k n ASP 123 Cb 0.54 -0.95 0.00 0.00 -1.04 0.00 0.00 41.12 39.67 3h1k n ASP 123 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3h1k n LEU 124 N 1.28 0.00 0.00 -2.67 4.77 -1.26 -4.85 117.00 114.27 3h1k n LEU 124 Ca 0.00 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3h1k n LEU 124 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3h1k n LEU 124 CO 0.00 0.23 0.00 0.47 -1.33 0.00 0.00 177.39 176.76 3h1k n ASP 125 N 0.00 0.00 -3.11 -1.43 10.43 -1.13 -4.80 116.55 116.50 3h1k n ASP 125 Ca 0.00 0.39 -0.18 0.00 2.57 0.00 0.00 54.79 57.57 3h1k n ASP 125 Cb 0.40 -0.49 -0.03 0.00 1.84 0.00 0.00 41.12 42.85 3h1k n ASP 125 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3h1k n ARG 126 N -2.06 1.28 -3.44 -1.24 1.74 -1.26 -5.02 116.66 106.66 3h1k n ARG 126 Ca 0.00 -3.56 -0.20 0.00 -0.77 0.00 0.00 57.85 53.32 3h1k n ARG 126 Cb 0.00 -1.74 -0.11 0.00 -1.02 0.00 0.00 32.46 29.59 3h1k n ARG 126 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3h1k s VAL 127 N -2.76 -0.30 0.00 1.55 1.01 -1.26 -5.09 120.40 113.55 3h1k s VAL 127 Ca 0.40 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.77 3h1k s VAL 127 Cb 0.35 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.76 3h1k s VAL 127 CO -0.08 -0.55 0.00 1.17 0.00 0.00 0.00 175.10 175.64 3h1k n LYS 128 N 5.22 0.00 0.00 2.72 3.00 -1.26 -4.75 118.16 123.09 3h1k n LYS 128 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 3h1k n LYS 128 Cb 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.48 3h1k n LYS 128 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3h1k n LYS 129 N 0.00 0.00 0.00 1.64 4.76 -1.26 -4.96 118.16 118.34 3h1k n LYS 129 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3h1k n LYS 129 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3h1k n LYS 129 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3h1k n PRO 130 N 0.00 0.00 0.00 1.97 -0.04 -1.26 -4.11 135.00 131.56 3h1k n PRO 130 Ca 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 3h1k n PRO 130 Cb 0.00 -0.41 0.26 0.00 -0.04 0.00 0.00 33.50 33.32 3h1k n PRO 130 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3h1k n GLU 131 N -0.26 0.54 -4.53 0.54 0.00 -1.26 -4.69 120.64 110.97 3h1k n GLU 131 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.84 3h1k n GLU 131 Cb 0.00 -1.26 -0.11 0.00 0.00 0.00 0.00 31.44 30.07 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 -2.00 2.79 -0.15 -1.84 0.52 -1.26 -1.59 118.94 115.41 3h1k s TRP 132 Ca 0.13 -0.11 -0.05 0.00 0.02 0.00 0.00 56.10 56.10 3h1k s TRP 132 Cb 0.06 -1.57 0.08 0.00 -1.15 0.00 0.00 33.47 30.89 3h1k s TRP 132 CO 0.10 0.33 0.30 0.54 0.02 0.00 0.00 176.95 178.25 3h1k s VAL 133 N -0.97 -0.47 -0.03 4.03 0.11 -1.17 -4.63 120.40 117.26 3h1k s VAL 133 Ca 0.16 0.22 0.07 0.00 -2.93 0.00 0.00 61.98 59.50 3h1k s VAL 133 Cb -0.11 -0.52 -0.02 0.00 -1.53 0.00 0.00 36.38 34.19 3h1k s VAL 133 CO 0.07 0.08 -0.23 -0.63 -3.33 0.00 0.00 175.10 171.06 3h1k s ILE 134 N 2.47 2.32 0.04 7.04 1.01 -1.26 -2.56 121.20 130.26 3h1k s ILE 134 Ca 0.01 -1.01 -0.27 0.00 0.00 0.00 0.00 60.65 59.39 3h1k s ILE 134 Cb -0.12 -1.83 0.08 0.00 0.01 0.00 0.00 42.46 40.60 3h1k s ILE 134 CO -0.10 0.58 0.71 -1.48 0.00 0.00 0.00 174.94 174.65 3h1k s LEU 135 N -0.64 -0.54 0.15 2.97 0.05 -0.17 -4.77 118.68 115.72 3h1k s LEU 135 Ca 0.10 0.25 -0.32 0.00 0.05 0.00 0.00 54.13 54.21 3h1k s LEU 135 Cb -0.10 2.41 -0.12 0.00 -2.05 0.00 0.00 46.19 46.33 3h1k s LEU 135 CO -0.01 -0.75 1.77 0.52 -0.55 0.00 0.00 176.35 177.34 3h1k n VAL 136 N 0.12 0.21 -0.74 1.48 0.31 -0.34 -1.23 118.33 118.13 3h1k n VAL 136 Ca -0.15 -0.04 -0.06 0.00 -0.01 0.00 0.00 64.34 64.08 3h1k n VAL 136 Cb 0.61 -2.00 -0.09 0.00 -0.91 0.00 0.00 33.84 31.46 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 4.05 2.70 2.81 2.92 0.00 0.15 -4.63 105.19 113.19 3h1k n GLY 137 Ca 0.17 -0.61 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 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 0.58 0.34 -0.14 1.61 1.01 -1.26 -4.33 120.40 118.21 3h1k s VAL 138 Ca 0.34 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.10 3h1k s VAL 138 Cb 0.16 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 3h1k s VAL 138 CO 0.00 0.22 1.59 0.00 0.00 0.00 0.00 175.10 176.91 3h1k n THR 140 N 5.87 0.00 0.00 0.00 -2.24 -1.26 -1.77 114.28 114.87 3h1k n THR 140 Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 3h1k n THR 140 Cb 0.44 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 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 -0.88 0.00 -0.41 4.78 -0.00 -1.26 -4.71 115.22 112.73 3h1k n HIS 141 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.79 3h1k n HIS 141 Cb 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 29.99 30.19 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 -0.07 3.35 0.00 0.27 4.77 -1.25 -4.96 117.00 119.11 3h1k n LEU 142 Ca 0.00 -2.27 0.00 0.00 -0.03 0.00 0.00 56.01 53.71 3h1k n LEU 142 Cb 0.00 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 3h1k n LEU 142 CO 0.00 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 3h1k n GLY 143 N 0.38 0.77 3.29 -0.72 0.00 -0.73 -5.06 105.19 103.12 3h1k n GLY 143 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.25 2.56 1.24 0.00 1.01 -1.26 0.69 120.40 122.40 3h1k s VAL 145 Ca 0.58 -1.13 -0.20 0.00 0.00 0.00 0.00 61.98 61.22 3h1k s VAL 145 Cb -0.14 -2.30 0.31 0.00 0.00 0.00 0.00 36.38 34.25 3h1k s VAL 145 CO 0.64 0.22 0.71 -2.65 0.00 0.00 0.00 175.10 174.02 3h1k n PRO 146 N 4.61 -4.11 -2.27 2.72 -0.02 -1.26 -4.79 135.00 129.88 3h1k n PRO 146 Ca -0.17 -1.19 -0.04 0.00 -2.02 0.00 0.00 63.50 60.07 3h1k n PRO 146 Cb 0.47 -1.62 -0.01 0.00 -0.02 0.00 0.00 33.50 32.32 3h1k n PRO 146 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3h1k n ILE 147 N -5.33 0.00 -0.39 4.25 5.41 -0.60 -4.88 119.36 117.82 3h1k n ILE 147 Ca 0.11 -0.33 0.00 0.00 1.00 0.00 0.00 62.75 63.54 3h1k n ILE 147 Cb 0.49 -0.03 0.00 0.00 -0.71 0.00 0.00 39.64 39.39 3h1k n ILE 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3h1k n ALA 148 N -2.79 0.00 -1.00 -1.39 0.00 -1.26 -3.93 120.51 110.14 3h1k n ALA 148 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3h1k n ALA 148 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 0.00 0.00 -0.18 0.00 5.03 -1.26 -4.88 115.26 113.97 3h1k n ASN 149 Ca 0.00 0.13 0.00 0.00 0.87 0.00 0.00 54.58 55.58 3h1k n ASN 149 Cb 0.07 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.83 3h1k n ASN 149 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3h1k n SER 150 N -0.34 0.00 0.00 6.41 3.41 -1.26 -5.01 113.62 116.83 3h1k n SER 150 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3h1k n SER 150 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3h1k n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h1k n GLY 151 N 5.00 3.52 0.08 5.00 0.00 -1.26 -4.47 105.19 113.07 3h1k n GLY 151 Ca 0.00 -1.78 -0.17 0.00 0.00 0.00 0.00 46.02 44.07 3h1k n GLY 151 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3h1k h ASP 152 N 0.00 0.02 -0.68 1.61 3.58 -1.93 -3.33 116.42 115.69 3h1k h ASP 152 Ca 0.00 -0.84 -0.37 0.00 0.42 0.00 0.00 57.03 56.24 3h1k h ASP 152 Cb 0.00 -0.01 -0.21 0.00 1.72 0.00 0.00 39.33 40.84 3h1k h ASP 152 CO 0.00 1.18 0.47 0.49 -2.88 0.00 0.00 179.24 178.50 3h1k n PHE 153 N -4.53 2.10 -0.26 0.28 3.01 -1.26 -4.86 117.46 111.95 3h1k n PHE 153 Ca -0.18 -1.57 0.00 0.00 1.01 0.00 0.00 57.45 56.72 3h1k n PHE 153 Cb 0.56 -0.79 0.00 0.00 -0.01 0.00 0.00 39.48 39.24 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 -0.54 0.00 0.00 1.37 0.00 -1.25 -4.02 105.19 100.74 3h1k n GLY 154 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.89 1.12 0.00 -0.02 0.00 -1.25 -4.70 105.19 98.45 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 -0.24 -3.16 1.61 4.02 0.57 -4.67 117.16 115.29 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 1.49 -0.05 -0.68 -0.72 5.04 -1.25 -3.95 117.35 117.22 3h1k s TYR 157 Ca 0.00 0.07 -0.18 0.00 -2.44 0.00 0.00 57.07 54.52 3h1k s TYR 157 Cb 0.00 0.02 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 0.00 175.55 174.95 3h1k n PRO 159 N 5.91 0.07 0.02 0.00 -0.04 -1.26 -2.17 135.00 137.53 3h1k n PRO 159 Ca -0.00 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.27 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 -4.22 0.00 0.00 0.00 8.25 -1.17 -5.04 115.22 113.05 3h1k n HIS 161 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 3h1k n HIS 161 Cb 0.73 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.84 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 0.03 2.73 2.19 -1.41 0.00 -0.92 -4.88 105.19 102.93 3h1k n GLY 162 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 0.55 -4.66 1.61 7.64 -1.26 -4.66 113.62 112.84 3h1k n SER 163 Ca 0.00 0.51 -0.40 0.00 1.01 0.00 0.00 58.87 59.99 3h1k n SER 163 Cb 0.00 -0.59 -0.06 0.00 -1.01 0.00 0.00 64.21 62.56 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 3.52 3.38 -0.27 1.43 0.09 -1.08 -3.04 115.29 119.33 3h1k s HIS 164 Ca 0.76 0.98 -0.05 0.00 -0.00 0.00 0.00 55.06 56.75 3h1k s HIS 164 Cb -0.98 -2.83 0.00 0.00 -0.00 0.00 0.00 32.58 28.77 3h1k s HIS 164 CO 0.45 -0.18 0.03 0.71 -0.00 0.00 0.00 174.74 175.75 3h1k s TYR 165 N 1.93 3.09 1.39 1.40 1.51 -1.25 -0.53 117.35 124.89 3h1k s TYR 165 Ca 0.30 -1.00 -0.22 0.00 -1.01 0.00 0.00 57.07 55.15 3h1k s TYR 165 Cb -0.16 -2.19 0.35 0.00 -0.11 0.00 0.00 41.96 39.85 3h1k s TYR 165 CO 0.11 -0.57 0.83 -0.40 -1.11 0.00 0.00 175.55 174.41 3h1k n ASP 166 N 4.82 -3.72 -2.13 2.29 5.68 -0.88 0.21 116.55 122.83 3h1k n ASP 166 Ca -0.16 -0.72 -0.18 0.00 -0.50 0.00 0.00 54.79 53.23 3h1k n ASP 166 Cb 0.49 -1.02 -0.06 0.00 -1.14 0.00 0.00 41.12 39.39 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 -5.58 5.90 -1.09 2.12 0.00 -1.26 -3.26 120.51 117.35 3h1k n ALA 167 Ca 0.11 -2.10 0.00 0.00 0.00 0.00 0.00 53.44 51.45 3h1k n ALA 167 Cb 0.57 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 1.28 0.00 -0.78 0.00 2.88 -1.26 -5.00 113.62 110.74 3h1k n SER 168 Ca 0.38 -0.64 0.00 0.00 -1.33 0.00 0.00 58.87 57.29 3h1k n SER 168 Cb 0.65 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 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 0.52 3.10 0.46 0.00 -1.20 -5.09 105.19 102.99 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 -3.36 0.49 0.29 1.61 0.52 -1.26 -4.00 118.95 113.24 3h1k s ARG 170 Ca 0.00 -0.44 -0.28 0.00 -0.52 0.00 0.00 55.73 54.49 3h1k s ARG 170 Cb 0.00 0.20 -0.09 0.00 0.52 0.00 0.00 34.95 35.58 3h1k s ARG 170 CO 0.00 -0.12 1.04 -1.50 0.02 0.00 0.00 175.30 174.75 3h1k s ILE 171 N -1.49 3.71 0.00 1.52 1.10 -1.26 -2.08 121.20 122.70 3h1k s ILE 171 Ca -0.14 1.63 0.00 0.00 -0.51 0.00 0.00 60.65 61.63 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 0.32 0.00 0.54 -2.11 0.00 0.00 174.94 173.70 3h1k n ARG 172 N 1.02 0.00 -3.52 3.50 5.12 0.31 -4.90 116.66 118.19 3h1k n ARG 172 Ca -0.00 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.52 3h1k n ARG 172 Cb 0.46 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.73 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 -0.00 3.66 0.00 5.56 2.20 -1.24 -4.93 119.74 124.99 3h1k s LYS 173 Ca 0.00 -3.27 0.00 0.00 -0.36 0.00 0.00 55.97 52.34 3h1k s LYS 173 Cb 0.00 -4.20 0.00 0.00 -1.51 0.00 0.00 37.83 32.12 3h1k s LYS 173 CO 0.00 -1.26 0.00 0.41 -0.36 0.00 0.00 175.35 174.14 3h1k n GLY 174 N 2.46 -0.29 0.20 5.54 0.00 -1.26 -2.62 105.19 109.22 3h1k n GLY 174 Ca 0.23 -0.94 -0.08 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 -0.41 0.00 1.61 0.13 -1.94 -3.48 132.00 127.91 3h1k h PRO 175 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3h1k h PRO 175 Cb 0.00 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.22 3h1k h PRO 175 CO 0.00 -0.20 0.00 0.00 -0.23 0.00 0.00 178.00 177.57 3h1k n ALA 176 N -2.71 0.00 -1.00 -0.56 0.00 -1.26 -4.91 120.51 110.07 3h1k n ALA 176 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3h1k n ALA 176 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 0.00 0.00 -0.62 0.00 -0.04 -1.26 -4.87 135.00 128.22 3h1k n PRO 177 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 3h1k n PRO 177 Cb 0.00 -0.31 0.26 0.00 -0.04 0.00 0.00 33.50 33.41 3h1k n PRO 177 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3h1k s TYR 178 N 0.00 0.84 0.34 0.54 1.51 -1.26 -4.92 117.35 114.40 3h1k s TYR 178 Ca 0.00 0.92 -0.02 0.00 -1.01 0.00 0.00 57.07 56.95 3h1k s TYR 178 Cb 0.00 -3.09 -0.04 0.00 -0.11 0.00 0.00 41.96 38.72 3h1k s TYR 178 CO 0.00 -4.10 0.58 -0.80 -1.11 0.00 0.00 175.55 170.12 3h1k s ASN 179 N -2.91 6.35 -0.45 2.29 0.01 -1.26 -4.72 114.94 114.25 3h1k s ASN 179 Ca 0.68 0.62 -0.43 0.00 -0.71 0.00 0.00 52.86 53.02 3h1k s ASN 179 Cb -0.20 -2.10 -0.18 0.00 0.41 0.00 0.00 41.25 39.18 3h1k s ASN 179 CO 0.61 -0.29 1.92 0.18 -1.51 0.00 0.00 177.10 178.01 3h1k n LEU 180 N -1.51 1.31 -4.37 0.60 4.77 -1.26 -4.75 117.00 111.79 3h1k n LEU 180 Ca -0.03 0.87 -0.54 0.00 -0.03 0.00 0.00 56.01 56.28 3h1k n LEU 180 Cb 0.55 -0.97 -0.06 0.00 -2.33 0.00 0.00 43.42 40.61 3h1k n LEU 180 CO 0.49 -0.74 0.34 1.21 -1.33 0.00 0.00 177.39 177.36 3h1k n GLU 181 N 6.17 0.00 -4.20 3.23 2.13 -1.26 -4.68 120.64 122.03 3h1k n GLU 181 Ca 0.42 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.89 3h1k n GLU 181 Cb 0.01 -1.28 -0.13 0.00 0.27 0.00 0.00 31.44 30.31 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 -0.38 3.81 0.83 6.31 1.01 -1.26 -1.20 120.40 129.52 3h1k s VAL 182 Ca 0.79 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 62.29 3h1k s VAL 182 Cb -1.12 -2.70 0.13 0.00 0.00 0.00 0.00 36.38 32.70 3h1k s VAL 182 CO 0.56 0.45 1.17 -2.16 0.00 0.00 0.00 175.10 175.12 3h1k s PRO 183 N 0.82 1.44 0.18 2.72 0.04 -1.26 -4.98 135.00 133.95 3h1k s PRO 183 Ca -0.01 -0.37 0.04 0.00 0.04 0.00 0.00 61.00 60.70 3h1k s PRO 183 Cb -0.14 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 3h1k s PRO 183 CO 0.02 -1.82 0.25 0.99 0.04 0.00 0.00 177.00 176.48 3h1k s THR 184 N -3.56 5.02 0.08 1.26 2.01 -1.26 -5.07 115.64 114.12 3h1k s THR 184 Ca 0.67 -0.91 -0.15 0.00 0.31 0.00 0.00 61.69 61.61 3h1k s THR 184 Cb -0.07 -3.62 0.05 0.00 0.01 0.00 0.00 72.50 68.87 3h1k s THR 184 CO 0.49 -0.17 0.71 0.00 -0.69 0.00 0.00 174.62 174.96 3h1k n TYR 185 N -0.73 -0.88 -4.08 4.92 0.18 -1.26 -4.07 117.16 111.25 3h1k n TYR 185 Ca -0.08 -0.73 -0.12 0.00 1.88 0.00 0.00 57.90 58.86 3h1k n TYR 185 Cb 0.55 0.35 -0.06 0.00 -0.38 0.00 0.00 39.34 39.80 3h1k n TYR 185 CO 0.00 0.00 0.00 1.14 -2.08 0.00 0.00 176.86 175.92 3h1k s GLN 186 N -2.03 1.63 -0.21 -3.48 -2.07 -1.26 -5.10 119.66 107.14 3h1k s GLN 186 Ca 0.16 -1.53 -0.03 0.00 -1.82 0.00 0.00 55.36 52.14 3h1k s GLN 186 Cb -0.01 0.42 0.06 0.00 -1.09 0.00 0.00 33.01 32.39 3h1k s GLN 186 CO 0.03 -0.65 0.04 -0.06 -1.32 0.00 0.00 175.29 173.32 3h1k s PHE 187 N -3.66 1.13 0.00 9.60 0.40 -1.26 -4.57 117.98 119.62 3h1k s PHE 187 Ca 0.29 -0.97 0.00 0.00 -0.60 0.00 0.00 56.93 55.65 3h1k s PHE 187 Cb 0.01 -1.10 0.00 0.00 0.51 0.00 0.00 43.02 42.44 3h1k s PHE 187 CO 0.14 -0.64 0.00 0.28 0.70 0.00 0.00 175.22 175.70 3h1k n VAL 188 N 5.02 0.00 -3.84 -0.44 0.31 -1.26 -5.03 118.33 113.09 3h1k n VAL 188 Ca -0.08 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 63.95 3h1k n VAL 188 Cb 0.46 0.62 -0.16 0.00 -0.91 0.00 0.00 33.84 33.85 3h1k n VAL 188 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3h1k s GLY 189 N 0.00 1.02 0.00 2.92 0.00 -1.26 -5.07 107.32 104.93 3h1k s GLY 189 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.63 3h1k s GLY 189 CO 0.00 1.19 0.92 1.22 0.00 0.00 0.00 173.10 176.43 3h1k n ASP 190 N 4.85 0.00 -0.77 1.64 8.00 -1.26 -1.54 116.55 127.46 3h1k n ASP 190 Ca -0.10 0.92 0.00 0.00 0.71 0.00 0.00 54.79 56.32 3h1k n ASP 190 Cb 0.45 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 3h1k n ASP 190 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3h1k n ASP 191 N -2.39 1.44 -3.75 -2.24 3.85 -1.26 -4.63 116.55 107.57 3h1k n ASP 191 Ca 0.00 -1.38 -0.13 0.00 -0.71 0.00 0.00 54.79 52.57 3h1k n ASP 191 Cb 0.00 -0.35 -0.11 0.00 -1.35 0.00 0.00 41.12 39.32 3h1k n ASP 191 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3h1k s LEU 192 N 0.00 0.60 -0.01 -2.12 1.43 -0.59 -1.96 118.68 116.03 3h1k s LEU 192 Ca 0.00 0.70 0.01 0.00 -1.03 0.00 0.00 54.13 53.81 3h1k s LEU 192 Cb 0.00 1.17 0.01 0.00 0.03 0.00 0.00 46.19 47.40 3h1k s LEU 192 CO 0.00 -0.13 -0.02 0.54 0.23 0.00 0.00 176.35 176.97 3h1k s VAL 193 N 0.34 0.21 -0.14 -1.59 0.11 -0.71 -4.34 120.40 114.28 3h1k s VAL 193 Ca -0.01 -0.07 0.02 0.00 -2.93 0.00 0.00 61.98 58.99 3h1k s VAL 193 Cb -0.03 -0.21 0.01 0.00 -1.53 0.00 0.00 36.38 34.62 3h1k s VAL 193 CO -0.01 0.08 -0.20 -0.69 -3.33 0.00 0.00 175.10 170.95 3h1k s VAL 194 N 0.21 1.93 -0.29 2.04 1.01 -1.26 -0.34 120.40 123.70 3h1k s VAL 194 Ca -0.02 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 3h1k s VAL 194 Cb -0.04 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.63 3h1k s VAL 194 CO -0.01 0.52 0.04 -0.69 0.00 0.00 0.00 175.10 174.97 3h1k s VAL 195 N 0.94 3.53 0.00 2.92 1.01 -0.83 -4.18 120.40 123.80 3h1k s VAL 195 Ca -0.05 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 60.98 3h1k s VAL 195 Cb -0.15 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.35 3h1k s VAL 195 CO -0.04 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.70