#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b3k h VAL 8 N 0.00 0.83 -0.65 2.97 2.07 -1.98 -2.45 116.25 117.03 1b3k h VAL 8 Ca 0.00 -1.83 0.05 0.00 0.82 0.00 0.00 66.70 65.75 1b3k h VAL 8 Cb 0.00 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 1b3k h VAL 8 CO 0.00 0.28 0.43 0.00 0.02 0.00 0.00 177.57 178.30 1b3k h ALA 9 N -0.54 1.73 -0.31 1.67 0.00 -1.95 0.39 119.26 120.25 1b3k h ALA 9 Ca -0.15 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 1b3k h ALA 9 Cb 0.90 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1b3k h ALA 9 CO -0.09 0.18 -0.35 1.25 0.00 0.00 0.00 179.25 180.24 1b3k h HIS 10 N 0.70 0.80 -0.07 0.00 6.17 -1.87 0.16 115.15 121.03 1b3k h HIS 10 Ca 0.28 -0.22 -0.20 0.00 0.71 0.00 0.00 60.37 60.93 1b3k h HIS 10 Cb 0.21 -0.18 0.01 0.00 2.52 0.00 0.00 27.41 29.97 1b3k h HIS 10 CO -0.00 0.94 -0.75 -0.07 0.71 0.00 0.00 177.93 178.75 1b3k h LEU 11 N 0.57 0.79 -1.10 0.26 3.38 -0.69 -2.79 115.31 115.73 1b3k h LEU 11 Ca 0.06 -0.68 -0.06 0.00 0.09 0.00 0.00 57.88 57.29 1b3k h LEU 11 Cb 0.86 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1b3k h LEU 11 CO 0.07 1.36 -0.02 0.00 0.09 0.00 0.00 178.44 179.95 1b3k h ALA 12 N 0.45 1.26 0.01 1.53 0.00 -0.22 -1.96 119.26 120.34 1b3k h ALA 12 Ca -0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1b3k h ALA 12 Cb 1.41 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1b3k h ALA 12 CO 0.15 0.49 -0.00 0.77 0.00 0.00 0.00 179.25 180.66 1b3k h SER 13 N 0.58 -0.01 -0.39 0.00 0.02 -0.62 -2.45 113.55 110.67 1b3k h SER 13 Ca 0.12 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1b3k h SER 13 Cb 0.39 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 1b3k h SER 13 CO 0.02 0.11 0.17 0.44 -1.14 0.00 0.00 176.83 176.43 1b3k h ASP 14 N -0.14 0.53 -0.80 3.07 3.32 -1.34 -1.95 116.42 119.11 1b3k h ASP 14 Ca -0.00 -0.15 0.13 0.00 0.02 0.00 0.00 57.03 57.03 1b3k h ASP 14 Cb 0.13 -0.14 -0.09 0.00 0.22 0.00 0.00 39.33 39.45 1b3k h ASP 14 CO 0.00 0.54 0.38 0.15 -1.72 0.00 0.00 179.24 178.60 1b3k h PHE 15 N 0.49 0.67 -0.02 4.55 3.57 -1.31 0.15 116.94 125.05 1b3k h PHE 15 Ca 0.13 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.56 1b3k h PHE 15 Cb 0.16 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1b3k h PHE 15 CO -0.01 0.16 -0.50 0.78 -2.23 0.00 0.00 178.31 176.52 1b3k h GLY 16 N 0.57 0.04 1.27 2.40 0.00 -1.15 -1.79 103.07 104.42 1b3k h GLY 16 Ca 0.43 -0.04 -0.22 0.00 0.00 0.00 0.00 47.33 47.49 1b3k h GLY 16 CO -0.36 0.04 -0.80 -2.08 0.00 0.00 0.00 176.54 173.34 1b3k h VAL 17 N 0.03 1.30 0.00 4.60 2.07 -0.45 -0.73 116.25 123.07 1b3k h VAL 17 Ca -0.00 -2.05 -0.04 0.00 0.82 0.00 0.00 66.70 65.43 1b3k h VAL 17 Cb 0.89 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1b3k h VAL 17 CO 0.07 0.64 -0.18 -0.09 0.02 0.00 0.00 177.57 178.03 1b3k h ARG 18 N 0.47 0.00 0.05 1.57 2.43 -0.56 0.16 114.38 118.50 1b3k h ARG 18 Ca -0.06 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.87 1b3k h ARG 18 Cb 1.43 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.96 1b3k h ARG 18 CO 0.16 0.18 -1.15 0.28 -1.51 0.00 0.00 179.97 177.93 1b3k h VAL 19 N 0.00 1.57 -0.35 0.20 2.07 -1.12 -3.27 116.25 115.36 1b3k h VAL 19 Ca -0.00 -3.24 -0.13 0.00 0.82 0.00 0.00 66.70 64.15 1b3k h VAL 19 Cb 0.33 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 1b3k h VAL 19 CO 0.02 0.92 -0.29 0.15 0.02 0.00 0.00 177.57 178.40 1b3k h PHE 20 N 0.03 0.95 -0.93 1.57 3.57 0.46 -2.72 116.94 119.87 1b3k h PHE 20 Ca -0.08 -0.27 0.16 0.00 3.53 0.00 0.00 57.97 61.31 1b3k h PHE 20 Cb 1.86 -0.21 -0.08 0.00 2.79 0.00 0.00 35.95 40.32 1b3k h PHE 20 CO 0.02 1.05 0.59 1.96 -2.23 0.00 0.00 178.31 179.70 1b3k h GLN 21 N 0.59 0.65 0.43 1.11 4.20 -0.84 1.00 115.11 122.25 1b3k h GLN 21 Ca 0.06 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1b3k h GLN 21 Cb 0.86 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1b3k h GLN 21 CO 0.07 0.43 -0.20 1.96 -0.67 0.00 0.00 178.83 180.42 1b3k h GLN 22 N 0.67 -0.55 0.00 1.46 1.08 -1.53 0.60 115.11 116.84 1b3k h GLN 22 Ca 0.48 0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.68 1b3k h GLN 22 Cb 0.84 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.39 1b3k h GLN 22 CO -0.24 -0.29 -0.18 -0.39 -0.95 0.00 0.00 178.83 176.78 1b3k h VAL 23 N -0.72 1.05 0.14 -0.54 -1.51 -1.19 -1.50 116.25 111.97 1b3k h VAL 23 Ca -0.06 -0.64 -0.01 0.00 -1.23 0.00 0.00 66.70 64.77 1b3k h VAL 23 Cb 0.52 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1b3k h VAL 23 CO 0.10 0.18 -0.07 0.00 -1.23 0.00 0.00 177.57 176.55 1b3k h ALA 24 N 1.82 -0.60 0.00 5.19 0.00 -0.65 -2.96 119.26 122.06 1b3k h ALA 24 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1b3k h ALA 24 Cb 0.34 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1b3k h ALA 24 CO 0.02 -0.58 0.26 1.04 0.00 0.00 0.00 179.25 179.99 1b3k n GLN 25 N -2.82 0.01 -0.16 0.00 6.02 0.19 0.23 117.38 120.85 1b3k n GLN 25 Ca -0.02 0.32 0.11 0.00 -0.01 0.00 0.00 57.00 57.40 1b3k n GLN 25 Cb 0.07 -1.81 0.19 0.00 1.02 0.00 0.00 30.24 29.72 1b3k n GLN 25 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1b3k n ALA 26 N -1.31 2.42 -3.04 -1.58 0.00 -0.57 -4.58 120.51 111.85 1b3k n ALA 26 Ca -0.00 -0.96 -0.16 0.00 0.00 0.00 0.00 53.44 52.32 1b3k n ALA 26 Cb 0.26 -0.83 -0.00 0.00 0.00 0.00 0.00 19.45 18.88 1b3k n ALA 26 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1b3k n SER 27 N 1.42 -0.46 -4.69 0.00 7.64 0.64 -5.04 113.62 113.12 1b3k n SER 27 Ca 0.18 -3.12 -0.43 0.00 1.01 0.00 0.00 58.87 56.52 1b3k n SER 27 Cb 0.59 0.22 -0.01 0.00 -1.01 0.00 0.00 64.21 64.00 1b3k n SER 27 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1b3k n LYS 28 N 0.74 2.08 -3.62 1.43 3.00 -1.25 -2.87 118.16 117.67 1b3k n LYS 28 Ca 0.18 0.73 -0.28 0.00 -0.00 0.00 0.00 58.31 58.94 1b3k n LYS 28 Cb 0.63 -2.30 0.04 0.00 0.00 0.00 0.00 35.03 33.40 1b3k n LYS 28 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1b3k n ASP 29 N 0.77 -5.59 -3.65 3.14 8.00 -1.26 -5.00 116.55 112.98 1b3k n ASP 29 Ca 0.05 -0.93 -0.07 0.00 0.71 0.00 0.00 54.79 54.55 1b3k n ASP 29 Cb 0.36 -3.52 -0.07 0.00 -0.02 0.00 0.00 41.12 37.87 1b3k n ASP 29 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1b3k s ARG 30 N -5.59 0.68 0.21 -1.24 0.52 -1.14 -5.06 118.95 107.33 1b3k s ARG 30 Ca 0.41 1.18 -0.32 0.00 -0.52 0.00 0.00 55.73 56.48 1b3k s ARG 30 Cb -0.14 0.13 -0.12 0.00 0.52 0.00 0.00 34.95 35.33 1b3k s ARG 30 CO 0.85 -0.15 1.72 0.09 0.02 0.00 0.00 175.30 177.83 1b3k n ASN 31 N 4.30 3.99 -3.66 0.23 4.13 -1.26 -4.71 115.26 118.27 1b3k n ASN 31 Ca -0.20 1.06 -0.08 0.00 1.68 0.00 0.00 54.58 57.04 1b3k n ASN 31 Cb 0.59 -1.57 -0.09 0.00 -1.54 0.00 0.00 39.78 37.16 1b3k n ASN 31 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1b3k s VAL 32 N 1.13 -0.54 -0.11 2.41 0.11 -0.95 -5.01 120.40 117.45 1b3k s VAL 32 Ca 0.75 0.14 -0.02 0.00 -2.93 0.00 0.00 61.98 59.91 1b3k s VAL 32 Cb -0.51 -0.69 -0.03 0.00 -1.53 0.00 0.00 36.38 33.62 1b3k s VAL 32 CO 0.33 0.06 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.45 1b3k s VAL 33 N 2.38 4.18 0.08 2.04 1.01 -1.26 -1.32 120.40 127.51 1b3k s VAL 33 Ca -0.04 -0.28 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 1b3k s VAL 33 Cb -0.11 -2.78 0.01 0.00 0.00 0.00 0.00 36.38 33.50 1b3k s VAL 33 CO -0.13 0.57 0.28 0.12 0.00 0.00 0.00 175.10 175.93 1b3k s PHE 34 N -0.48 -0.02 -0.33 5.22 2.19 0.11 -4.56 117.98 120.11 1b3k s PHE 34 Ca 0.08 -0.29 0.04 0.00 0.33 0.00 0.00 56.93 57.09 1b3k s PHE 34 Cb -0.12 0.07 0.10 0.00 -1.31 0.00 0.00 43.02 41.76 1b3k s PHE 34 CO 0.02 -0.57 0.04 0.45 1.83 0.00 0.00 175.22 176.99 1b3k s SER 35 N -2.60 4.72 0.24 6.13 0.15 -1.26 -0.23 113.70 120.84 1b3k s SER 35 Ca 0.01 -2.09 -0.04 0.00 0.70 0.00 0.00 55.95 54.53 1b3k s SER 35 Cb 0.02 -1.59 0.38 0.00 -1.71 0.00 0.00 66.02 63.12 1b3k s SER 35 CO -0.09 -0.37 1.82 -0.65 1.20 0.00 0.00 173.24 175.15 1b3k h PRO 36 N 7.64 0.83 0.08 5.44 0.11 -1.68 -2.17 132.00 142.24 1b3k h PRO 36 Ca -0.05 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.01 1b3k h PRO 36 Cb 1.02 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 1b3k h PRO 36 CO 0.51 0.55 -0.10 -0.92 -0.21 0.00 0.00 178.00 177.83 1b3k h TYR 37 N 0.85 -0.26 0.21 0.65 3.20 -1.65 -2.30 116.97 117.67 1b3k h TYR 37 Ca 0.39 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.28 1b3k h TYR 37 Cb 0.31 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 1b3k h TYR 37 CO -0.05 -0.16 -0.35 0.78 -1.64 0.00 0.00 178.16 176.74 1b3k h GLY 38 N -0.22 -0.73 2.00 1.82 0.00 -1.66 -0.36 103.07 103.93 1b3k h GLY 38 Ca 0.01 0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.74 1b3k h GLY 38 CO -0.05 -0.27 -0.07 -0.24 0.00 0.00 0.00 176.54 175.92 1b3k h VAL 39 N -0.63 0.88 -0.54 4.60 3.04 -1.49 -1.45 116.25 120.65 1b3k h VAL 39 Ca 0.01 -0.25 -0.11 0.00 -1.01 0.00 0.00 66.70 65.34 1b3k h VAL 39 Cb 0.63 1.14 -0.02 0.00 -2.01 0.00 0.00 31.29 31.03 1b3k h VAL 39 CO -0.15 0.07 -0.07 0.00 -1.01 0.00 0.00 177.57 176.40 1b3k h ALA 40 N 1.93 0.74 0.54 3.17 0.00 -0.70 -3.00 119.26 121.94 1b3k h ALA 40 Ca -0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1b3k h ALA 40 Cb 0.14 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1b3k h ALA 40 CO 0.01 0.63 -0.26 1.03 0.00 0.00 0.00 179.25 180.66 1b3k h SER 41 N 0.88 -0.61 -0.73 0.00 0.87 -0.04 -2.63 113.55 111.29 1b3k h SER 41 Ca 0.14 0.02 0.16 0.00 -1.23 0.00 0.00 61.79 60.88 1b3k h SER 41 Cb 0.63 0.16 -0.13 0.00 -0.44 0.00 0.00 62.40 62.62 1b3k h SER 41 CO 0.04 -0.26 -0.06 -0.37 -0.53 0.00 0.00 176.83 175.65 1b3k h VAL 42 N -1.08 0.33 0.00 2.23 -1.51 -1.54 0.16 116.25 114.84 1b3k h VAL 42 Ca -0.07 -0.02 -0.05 0.00 -1.23 0.00 0.00 66.70 65.33 1b3k h VAL 42 Cb 0.56 0.26 -0.01 0.00 -2.13 0.00 0.00 31.29 29.97 1b3k h VAL 42 CO 0.12 0.01 -0.22 -0.07 -1.23 0.00 0.00 177.57 176.18 1b3k h LEU 43 N 0.06 0.00 -1.61 4.19 3.38 -1.61 0.13 115.31 119.86 1b3k h LEU 43 Ca 0.38 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.31 1b3k h LEU 43 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1b3k h LEU 43 CO -0.68 0.22 -0.21 0.00 0.09 0.00 0.00 178.44 177.85 1b3k h ALA 44 N 1.78 1.45 0.04 1.53 0.00 -0.29 -1.18 119.26 122.59 1b3k h ALA 44 Ca -0.00 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 1b3k h ALA 44 Cb 0.48 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1b3k h ALA 44 CO 0.03 0.27 -0.93 0.52 0.00 0.00 0.00 179.25 179.14 1b3k h MET 45 N 0.00 0.09 -0.08 0.00 2.86 -0.95 -3.27 114.93 113.58 1b3k h MET 45 Ca -0.00 -0.15 0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1b3k h MET 45 Cb 0.43 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 1b3k h MET 45 CO 0.03 1.07 0.35 1.25 1.06 0.00 0.00 176.91 180.67 1b3k h LEU 46 N -0.76 0.00 -0.35 1.22 5.85 -0.58 0.79 115.31 121.48 1b3k h LEU 46 Ca -0.23 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1b3k h LEU 46 Cb 1.37 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 1b3k h LEU 46 CO -0.05 0.00 0.18 1.56 -0.34 0.00 0.00 178.44 179.79 1b3k h GLN 47 N 0.00 0.49 -0.03 1.25 4.20 -1.26 -2.50 115.11 117.26 1b3k h GLN 47 Ca 0.04 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 1b3k h GLN 47 Cb 0.74 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 1b3k h GLN 47 CO -0.00 0.42 -0.16 1.25 -0.67 0.00 0.00 178.83 179.67 1b3k h LEU 48 N 0.43 0.04 -0.34 1.46 5.85 -0.98 -2.38 115.31 119.39 1b3k h LEU 48 Ca 0.12 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.67 1b3k h LEU 48 Cb 0.08 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1b3k h LEU 48 CO -0.02 0.20 -0.78 0.71 -0.34 0.00 0.00 178.44 178.21 1b3k h THR 49 N 0.04 1.50 -3.44 1.05 1.35 -1.51 -3.43 112.91 108.48 1b3k h THR 49 Ca 0.01 -2.73 -0.54 0.00 -0.55 0.00 0.00 66.41 62.60 1b3k h THR 49 Cb 0.31 2.50 -0.03 0.00 -1.73 0.00 0.00 68.15 69.19 1b3k h THR 49 CO 0.02 0.76 0.08 0.28 -0.25 0.00 0.00 175.52 176.42 1b3k s THR 50 N -3.12 4.55 0.11 6.82 -1.32 -0.90 -2.65 115.64 119.13 1b3k s THR 50 Ca 0.00 1.42 0.03 0.00 -1.21 0.00 0.00 61.69 61.93 1b3k s THR 50 Cb 0.11 -3.98 -0.04 0.00 -1.51 0.00 0.00 72.50 67.08 1b3k s THR 50 CO 0.78 0.45 -0.08 -0.83 -2.21 0.00 0.00 174.62 172.73 1b3k s GLY 51 N -1.28 0.83 0.00 6.08 0.00 -0.40 -4.70 107.32 107.85 1b3k s GLY 51 Ca 0.35 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.74 1b3k s GLY 51 CO 0.22 -1.43 0.00 0.61 0.00 0.00 0.00 173.10 172.50 1b3k n GLY 52 N 0.07 0.99 0.00 0.20 0.00 -1.26 -3.76 105.19 101.42 1b3k n GLY 52 Ca -0.13 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1b3k n GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b3k n GLU 53 N 0.00 0.00 -0.33 1.61 -0.58 -1.26 0.34 120.64 120.42 1b3k n GLU 53 Ca 0.00 0.00 0.18 0.00 -0.42 0.00 0.00 57.16 56.92 1b3k n GLU 53 Cb 0.00 0.00 0.35 0.00 -0.57 0.00 0.00 31.44 31.22 1b3k n GLU 53 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1b3k h THR 54 N 0.00 0.05 -0.30 2.62 2.02 -1.84 -1.07 112.91 114.39 1b3k h THR 54 Ca 0.00 -0.01 0.07 0.00 0.77 0.00 0.00 66.41 67.24 1b3k h THR 54 Cb 0.00 0.02 -0.07 0.00 -1.74 0.00 0.00 68.15 66.36 1b3k h THR 54 CO 0.00 0.01 -0.15 -0.61 0.37 0.00 0.00 175.52 175.13 1b3k h GLN 55 N 0.03 -0.10 -0.68 6.66 4.15 -0.20 -2.12 115.11 122.85 1b3k h GLN 55 Ca 0.64 0.01 0.00 0.00 0.77 0.00 0.00 58.65 60.07 1b3k h GLN 55 Cb 1.41 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 29.09 1b3k h GLN 55 CO -0.86 -0.07 0.42 1.96 -1.93 0.00 0.00 178.83 178.35 1b3k h GLN 56 N -0.11 0.90 0.03 1.69 4.20 -0.94 -1.67 115.11 119.22 1b3k h GLN 56 Ca 0.16 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.83 1b3k h GLN 56 Cb 0.35 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 1b3k h GLN 56 CO -0.37 0.62 -0.29 1.96 -0.67 0.00 0.00 178.83 180.08 1b3k h GLN 57 N 0.92 -0.44 0.06 1.46 4.20 -1.31 0.42 115.11 120.42 1b3k h GLN 57 Ca 0.24 0.03 0.02 0.00 0.06 0.00 0.00 58.65 59.01 1b3k h GLN 57 Cb -0.06 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 1b3k h GLN 57 CO -0.05 -0.30 -0.26 0.82 -0.67 0.00 0.00 178.83 178.37 1b3k h ILE 58 N -0.46 0.42 0.04 2.54 2.04 -1.30 -0.78 117.51 120.00 1b3k h ILE 58 Ca 0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.94 1b3k h ILE 58 Cb 0.53 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1b3k h ILE 58 CO -0.23 0.00 -0.29 1.56 0.00 0.00 0.00 178.15 179.19 1b3k h GLN 59 N -0.43 -0.44 -0.17 2.37 4.20 -0.75 0.21 115.11 120.10 1b3k h GLN 59 Ca 0.05 0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.84 1b3k h GLN 59 Cb 0.49 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.31 1b3k h GLN 59 CO -0.19 -0.29 -0.20 0.00 -0.67 0.00 0.00 178.83 177.48 1b3k h ALA 60 N 0.29 -0.11 -0.24 3.87 0.00 -0.07 0.37 119.26 123.37 1b3k h ALA 60 Ca 0.05 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1b3k h ALA 60 Cb 0.53 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1b3k h ALA 60 CO -0.22 -0.64 0.16 0.00 0.00 0.00 0.00 179.25 178.55 1b3k h ALA 61 N 0.81 2.05 0.00 0.00 0.00 -0.66 -2.55 119.26 118.92 1b3k h ALA 61 Ca 0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1b3k h ALA 61 Cb 0.40 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1b3k h ALA 61 CO -0.30 -0.10 -1.21 -1.33 0.00 0.00 0.00 179.25 176.31 1b3k n MET 62 N -4.49 0.61 -0.67 0.00 2.81 0.68 -4.85 117.12 111.22 1b3k n MET 62 Ca 0.02 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 1b3k n MET 62 Cb 0.22 -1.79 0.00 0.00 -0.71 0.00 0.00 33.22 30.94 1b3k n MET 62 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1b3k n GLY 63 N 1.24 0.75 3.56 3.03 0.00 0.12 -4.74 105.19 109.14 1b3k n GLY 63 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 1b3k n GLY 63 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1b3k s PHE 64 N -2.64 -0.54 -0.26 1.61 -0.71 -1.18 -5.03 117.98 109.22 1b3k s PHE 64 Ca 0.00 1.00 -0.14 0.00 -1.04 0.00 0.00 56.93 56.75 1b3k s PHE 64 Cb 0.00 0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 42.18 1b3k s PHE 64 CO 0.00 -0.45 0.34 0.15 -1.34 0.00 0.00 175.22 173.92 1b3k s LYS 65 N -0.90 4.03 0.35 1.99 1.02 -1.26 -4.72 119.74 120.24 1b3k s LYS 65 Ca -0.05 -0.01 0.08 0.00 0.02 0.00 0.00 55.97 56.01 1b3k s LYS 65 Cb -0.01 -3.64 0.78 0.00 -0.52 0.00 0.00 37.83 34.45 1b3k s LYS 65 CO 0.05 -0.22 1.86 0.97 -0.92 0.00 0.00 175.35 177.09 1b3k h ILE 66 N 5.32 0.85 0.00 2.17 6.09 -1.97 -1.06 117.51 128.90 1b3k h ILE 66 Ca -0.33 -0.25 0.00 0.00 -1.37 0.00 0.00 64.86 62.91 1b3k h ILE 66 Cb 1.17 0.05 0.00 0.00 0.47 0.00 0.00 36.82 38.50 1b3k h ILE 66 CO 0.64 0.13 0.00 -0.67 -3.07 0.00 0.00 178.15 175.18 1b3k n ASP 67 N -4.57 0.00 -4.77 2.19 2.03 -1.26 -3.50 116.55 106.66 1b3k n ASP 67 Ca 0.18 -0.82 -0.38 0.00 0.52 0.00 0.00 54.79 54.28 1b3k n ASP 67 Cb 0.45 -0.03 -0.05 0.00 -0.72 0.00 0.00 41.12 40.77 1b3k n ASP 67 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1b3k s ASP 68 N -2.05 7.21 0.23 1.67 1.01 -0.41 -4.94 116.67 119.38 1b3k s ASP 68 Ca 0.41 2.00 -0.32 0.00 0.71 0.00 0.00 52.55 55.36 1b3k s ASP 68 Cb 0.20 -2.60 -0.14 0.00 1.01 0.00 0.00 42.92 41.39 1b3k s ASP 68 CO 0.34 -0.17 1.41 1.17 0.21 0.00 0.00 175.17 178.13 1b3k n LYS 69 N 0.66 1.98 0.00 8.23 3.00 -1.26 -2.59 118.16 128.18 1b3k n LYS 69 Ca 0.02 0.70 0.00 0.00 -0.00 0.00 0.00 58.31 59.03 1b3k n LYS 69 Cb 0.48 -2.36 0.00 0.00 0.00 0.00 0.00 35.03 33.15 1b3k n LYS 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1b3k n GLY 70 N 2.27 2.98 0.00 3.14 0.00 -1.26 -4.94 105.19 107.38 1b3k n GLY 70 Ca 0.12 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1b3k n GLY 70 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1b3k n MET 71 N 0.00 0.00 -0.21 1.61 2.81 -1.07 -1.83 117.12 118.43 1b3k n MET 71 Ca 0.00 0.57 -0.04 0.00 -1.81 0.00 0.00 57.70 56.42 1b3k n MET 71 Cb 0.00 -1.45 0.03 0.00 -0.71 0.00 0.00 33.22 31.08 1b3k n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1b3k h ALA 72 N -1.80 0.11 -0.37 3.04 0.00 -1.76 0.84 119.26 119.33 1b3k h ALA 72 Ca 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1b3k h ALA 72 Cb 0.00 0.69 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1b3k h ALA 72 CO 0.00 -0.59 0.20 -1.00 0.00 0.00 0.00 179.25 177.86 1b3k h PRO 73 N -0.12 0.49 0.26 0.00 0.13 -1.83 -0.89 132.00 130.04 1b3k h PRO 73 Ca 0.26 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1b3k h PRO 73 Cb 0.53 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 1b3k h PRO 73 CO -0.68 0.36 -0.20 0.00 -0.23 0.00 0.00 178.00 177.26 1b3k h ALA 74 N 1.73 -0.44 -0.80 -0.56 0.00 -0.08 -0.71 119.26 118.40 1b3k h ALA 74 Ca 0.13 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1b3k h ALA 74 Cb 0.01 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1b3k h ALA 74 CO -0.02 -0.77 0.48 -0.07 0.00 0.00 0.00 179.25 178.87 1b3k h LEU 75 N -0.46 0.75 -0.46 0.00 3.38 -0.79 -0.39 115.31 117.34 1b3k h LEU 75 Ca -0.02 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1b3k h LEU 75 Cb 0.40 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1b3k h LEU 75 CO -0.00 0.48 0.14 0.03 0.09 0.00 0.00 178.44 179.18 1b3k h ARG 76 N 0.89 0.30 0.13 1.13 3.08 -0.76 0.22 114.38 119.36 1b3k h ARG 76 Ca 0.35 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.39 1b3k h ARG 76 Cb 0.17 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 1b3k h ARG 76 CO -0.17 0.20 -0.46 1.25 -1.07 0.00 0.00 179.97 179.72 1b3k h HIS 77 N 0.31 -1.32 -0.75 3.04 2.76 0.43 -1.63 115.15 117.99 1b3k h HIS 77 Ca 0.22 0.03 0.13 0.00 -2.20 0.00 0.00 60.37 58.56 1b3k h HIS 77 Cb 0.24 0.56 -0.09 0.00 1.55 0.00 0.00 27.41 29.67 1b3k h HIS 77 CO -0.17 -0.52 0.32 1.25 -1.30 0.00 0.00 177.93 177.51 1b3k h LEU 78 N -0.67 0.34 -0.44 0.26 5.85 -0.76 -0.73 115.31 119.17 1b3k h LEU 78 Ca -0.01 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.86 1b3k h LEU 78 Cb 0.66 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 1b3k h LEU 78 CO -0.23 0.15 0.15 0.22 -0.34 0.00 0.00 178.44 178.39 1b3k h TYR 79 N 0.49 0.27 0.09 1.25 3.20 -0.53 -1.68 116.97 120.06 1b3k h TYR 79 Ca 0.40 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.29 1b3k h TYR 79 Cb 0.57 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.79 1b3k h TYR 79 CO -0.15 0.10 -0.04 -0.22 -1.64 0.00 0.00 178.16 176.21 1b3k h LYS 80 N 0.32 -0.11 0.00 1.82 3.64 -0.22 -1.39 116.57 120.63 1b3k h LYS 80 Ca 0.21 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1b3k h LYS 80 Cb 0.20 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1b3k h LYS 80 CO -0.21 -0.01 -0.00 1.49 -2.27 0.00 0.00 179.45 178.45 1b3k h GLU 81 N -0.19 0.00 0.04 1.90 4.81 -0.94 -0.61 114.58 119.59 1b3k h GLU 81 Ca -0.01 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1b3k h GLU 81 Cb 0.15 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.54 1b3k h GLU 81 CO 0.02 0.00 -0.23 -0.07 -0.73 0.00 0.00 179.01 178.00 1b3k h LEU 82 N 0.00 0.13 -1.14 1.64 3.38 -0.64 -3.17 115.31 115.51 1b3k h LEU 82 Ca -0.00 -0.99 -0.00 0.00 0.09 0.00 0.00 57.88 56.98 1b3k h LEU 82 Cb 0.03 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1b3k h LEU 82 CO 0.00 1.11 0.00 0.23 0.09 0.00 0.00 178.44 179.87 1b3k n MET 83 N -4.48 1.19 0.00 1.13 2.81 -0.59 -4.54 117.12 112.64 1b3k n MET 83 Ca -0.11 -0.15 0.00 0.00 -1.81 0.00 0.00 57.70 55.63 1b3k n MET 83 Cb 0.58 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 1b3k n MET 83 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1b3k n GLY 84 N 0.03 -3.32 0.17 3.03 0.00 -0.32 -4.88 105.19 99.90 1b3k n GLY 84 Ca 0.01 -1.12 -0.22 0.00 0.00 0.00 0.00 46.02 44.69 1b3k n GLY 84 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1b3k h PRO 85 N 0.00 0.59 -0.61 1.61 0.11 -1.89 -3.31 132.00 128.49 1b3k h PRO 85 Ca 0.00 -0.82 -0.01 0.00 0.11 0.00 0.00 66.00 65.28 1b3k h PRO 85 Cb 0.00 0.27 -0.03 0.00 0.11 0.00 0.00 31.00 31.35 1b3k h PRO 85 CO 0.00 1.37 0.33 0.11 -0.21 0.00 0.00 178.00 179.61 1b3k h TRP 86 N 0.20 0.82 -0.58 0.65 5.08 -1.93 -3.18 115.95 117.02 1b3k h TRP 86 Ca -0.19 -0.01 0.10 0.00 1.08 0.00 0.00 58.89 59.87 1b3k h TRP 86 Cb 1.91 -0.27 -0.10 0.00 -3.00 0.00 0.00 29.16 27.70 1b3k h TRP 86 CO 0.12 0.58 -0.20 -1.71 -1.28 0.00 0.00 178.44 175.96 1b3k n ASN 87 N -4.38 -0.31 -3.78 0.11 2.85 -1.25 -4.77 115.26 103.73 1b3k n ASN 87 Ca 0.06 1.01 -0.26 0.00 -0.11 0.00 0.00 54.58 55.28 1b3k n ASN 87 Cb 0.10 -0.26 0.04 0.00 1.24 0.00 0.00 39.78 40.90 1b3k n ASN 87 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1b3k n LYS 88 N -4.90 -6.00 -1.77 1.20 4.81 -1.20 -1.39 118.16 108.91 1b3k n LYS 88 Ca 0.07 0.67 -0.21 0.00 -0.87 0.00 0.00 58.31 57.97 1b3k n LYS 88 Cb 0.26 -5.53 -0.07 0.00 0.02 0.00 0.00 35.03 29.70 1b3k n LYS 88 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1b3k n ASP 89 N -2.94 -5.57 0.05 3.14 9.92 -1.26 -4.85 116.55 115.04 1b3k n ASP 89 Ca -0.06 0.41 -0.01 0.00 -0.53 0.00 0.00 54.79 54.60 1b3k n ASP 89 Cb 0.57 -4.86 -0.07 0.00 -0.64 0.00 0.00 41.12 36.13 1b3k n ASP 89 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1b3k h GLU 90 N 0.00 0.00 -3.22 -1.24 5.08 -1.49 -3.46 114.58 110.24 1b3k h GLU 90 Ca -0.44 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.72 1b3k h GLU 90 Cb 1.36 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.32 1b3k h GLU 90 CO 0.62 0.43 -0.53 -1.50 -1.00 0.00 0.00 179.01 177.03 1b3k s ILE 91 N -2.87 -0.02 0.14 3.13 2.07 -1.26 -0.98 121.20 121.41 1b3k s ILE 91 Ca -0.01 0.08 0.11 0.00 -1.41 0.00 0.00 60.65 59.42 1b3k s ILE 91 Cb 0.08 -0.28 -0.04 0.00 0.13 0.00 0.00 42.46 42.35 1b3k s ILE 91 CO 0.80 0.03 -0.25 -0.44 -1.91 0.00 0.00 174.94 173.18 1b3k s SER 92 N 0.66 3.44 0.02 4.50 0.01 -0.06 -4.94 113.70 117.34 1b3k s SER 92 Ca -0.05 -0.75 -0.16 0.00 1.31 0.00 0.00 55.95 56.31 1b3k s SER 92 Cb -0.06 -0.28 0.03 0.00 0.21 0.00 0.00 66.02 65.91 1b3k s SER 92 CO -0.04 0.16 0.34 0.28 0.41 0.00 0.00 173.24 174.40 1b3k s THR 93 N -1.22 0.06 -0.21 1.44 -1.32 -1.26 -2.40 115.64 110.73 1b3k s THR 93 Ca 0.16 -0.53 -0.28 0.00 -1.21 0.00 0.00 61.69 59.83 1b3k s THR 93 Cb -0.10 -0.82 0.13 0.00 -1.51 0.00 0.00 72.50 70.21 1b3k s THR 93 CO 0.08 -0.29 1.05 0.28 -2.21 0.00 0.00 174.62 173.53 1b3k s THR 94 N -2.00 0.00 0.40 5.08 -1.32 -0.85 -4.89 115.64 112.06 1b3k s THR 94 Ca -0.09 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.43 1b3k s THR 94 Cb -0.02 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.92 1b3k s THR 94 CO 0.00 0.00 0.06 -1.81 -2.21 0.00 0.00 174.62 170.66 1b3k s ASP 95 N -0.67 3.12 0.00 8.08 1.11 -1.26 -1.93 116.67 125.11 1b3k s ASP 95 Ca 0.01 -1.50 0.00 0.00 0.18 0.00 0.00 52.55 51.23 1b3k s ASP 95 Cb -0.02 0.12 0.00 0.00 1.07 0.00 0.00 42.92 44.09 1b3k s ASP 95 CO -0.02 -0.71 0.00 0.00 1.18 0.00 0.00 175.17 175.62 1b3k n ALA 96 N -0.91 0.00 -3.57 5.23 0.00 -0.97 -4.95 120.51 115.34 1b3k n ALA 96 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.05 1b3k n ALA 96 Cb 0.66 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.95 1b3k n ALA 96 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1b3k s ILE 97 N -0.12 1.99 -0.17 0.00 1.01 -1.26 -1.51 121.20 121.14 1b3k s ILE 97 Ca 0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 59.67 1b3k s ILE 97 Cb 0.00 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 1b3k s ILE 97 CO 0.00 0.54 -0.06 -0.36 0.00 0.00 0.00 174.94 175.06 1b3k s PHE 98 N 0.73 2.94 0.11 3.97 0.40 -0.03 -0.34 117.98 125.76 1b3k s PHE 98 Ca -0.10 -0.59 0.07 0.00 -0.60 0.00 0.00 56.93 55.72 1b3k s PHE 98 Cb -0.16 -1.98 -0.03 0.00 0.51 0.00 0.00 43.02 41.36 1b3k s PHE 98 CO 0.00 -0.24 -0.18 0.54 0.70 0.00 0.00 175.22 176.04 1b3k s VAL 99 N 0.72 1.52 -0.20 -0.44 0.11 0.47 -0.62 120.40 121.97 1b3k s VAL 99 Ca -0.03 -1.56 -0.32 0.00 -2.93 0.00 0.00 61.98 57.13 1b3k s VAL 99 Cb -0.15 -1.48 -0.09 0.00 -1.53 0.00 0.00 36.38 33.13 1b3k s VAL 99 CO 0.02 -0.19 2.09 1.67 -3.33 0.00 0.00 175.10 175.36 1b3k n GLN 100 N 0.94 1.83 -0.23 1.54 -0.06 -0.70 -2.09 117.38 118.61 1b3k n GLN 100 Ca -0.18 0.58 -0.07 0.00 -2.00 0.00 0.00 57.00 55.33 1b3k n GLN 100 Cb 0.55 -2.81 -0.06 0.00 -4.06 0.00 0.00 30.24 23.85 1b3k n GLN 100 CO 0.00 0.00 0.00 0.07 -0.20 0.00 0.00 177.06 176.93 1b3k h ARG 101 N 12.14 -0.05 0.00 3.69 0.11 -1.43 -2.16 114.38 126.68 1b3k h ARG 101 Ca -0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.68 1b3k h ARG 101 Cb 1.27 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.36 1b3k h ARG 101 CO 0.97 -0.03 0.09 -0.40 0.10 0.00 0.00 179.97 180.70 1b3k n ASP 102 N -4.40 0.00 -4.70 0.08 5.75 -1.26 -4.72 116.55 107.30 1b3k n ASP 102 Ca 0.01 0.07 -0.42 0.00 -0.01 0.00 0.00 54.79 54.43 1b3k n ASP 102 Cb 0.17 -0.07 -0.03 0.00 -1.03 0.00 0.00 41.12 40.17 1b3k n ASP 102 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1b3k s LEU 103 N -1.75 4.34 -0.99 -2.12 1.02 -0.82 -4.93 118.68 113.44 1b3k s LEU 103 Ca 0.00 1.84 -0.25 0.00 0.02 0.00 0.00 54.13 55.74 1b3k s LEU 103 Cb 0.00 -3.57 -0.15 0.00 0.02 0.00 0.00 46.19 42.50 1b3k s LEU 103 CO 0.00 -0.45 2.14 -0.75 0.02 0.00 0.00 176.35 177.31 1b3k s LYS 104 N 1.42 1.77 0.36 1.70 2.20 -1.26 -4.92 119.74 121.01 1b3k s LYS 104 Ca 0.56 -0.29 -0.27 0.00 -0.36 0.00 0.00 55.97 55.61 1b3k s LYS 104 Cb -0.25 -4.99 -0.09 0.00 -1.51 0.00 0.00 37.83 30.99 1b3k s LYS 104 CO 0.26 -4.57 1.15 -0.51 -0.36 0.00 0.00 175.35 171.31 1b3k s LEU 105 N 14.12 4.32 0.18 5.43 1.43 -1.26 -4.35 118.68 138.55 1b3k s LEU 105 Ca 0.80 2.32 -0.33 0.00 -1.03 0.00 0.00 54.13 55.89 1b3k s LEU 105 Cb -0.07 -3.88 -0.14 0.00 0.03 0.00 0.00 46.19 42.13 1b3k s LEU 105 CO 0.11 -0.47 1.50 1.33 0.23 0.00 0.00 176.35 179.06 1b3k n VAL 106 N 0.48 0.27 -1.56 -1.59 0.24 0.33 -4.82 118.33 111.68 1b3k n VAL 106 Ca 0.02 -0.07 -0.59 0.00 -2.04 0.00 0.00 64.34 61.67 1b3k n VAL 106 Cb 0.46 -1.45 -0.08 0.00 -1.47 0.00 0.00 33.84 31.30 1b3k n VAL 106 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1b3k n GLN 107 N 2.94 0.25 -1.34 7.34 7.27 -1.26 -1.32 117.38 131.26 1b3k n GLN 107 Ca 0.16 0.09 -0.12 0.00 0.07 0.00 0.00 57.00 57.20 1b3k n GLN 107 Cb 0.29 -1.62 -0.05 0.00 2.41 0.00 0.00 30.24 31.26 1b3k n GLN 107 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1b3k n GLY 108 N 2.10 1.21 0.17 1.69 0.00 -1.26 -4.92 105.19 104.19 1b3k n GLY 108 Ca 0.21 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1b3k n GLY 108 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1b3k h PHE 109 N 0.00 -0.30 -0.66 1.61 3.04 -1.55 -3.05 116.94 116.03 1b3k h PHE 109 Ca -0.24 -0.01 0.13 0.00 3.98 0.00 0.00 57.97 61.83 1b3k h PHE 109 Cb 0.92 0.10 -0.13 0.00 2.56 0.00 0.00 35.95 39.41 1b3k h PHE 109 CO 0.43 -0.00 -0.23 0.52 -2.02 0.00 0.00 178.31 177.01 1b3k h MET 110 N -0.99 -0.06 -0.92 1.11 2.86 -1.91 0.29 114.93 115.31 1b3k h MET 110 Ca -0.03 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1b3k h MET 110 Cb 0.44 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.06 1b3k h MET 110 CO 0.06 -0.04 0.60 -1.00 1.06 0.00 0.00 176.91 177.59 1b3k h PRO 111 N -0.06 1.10 0.16 -0.22 0.13 -1.98 0.31 132.00 131.45 1b3k h PRO 111 Ca 0.30 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.36 1b3k h PRO 111 Cb 0.53 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 31.41 1b3k h PRO 111 CO -0.71 0.73 -0.08 1.25 -0.23 0.00 0.00 178.00 178.97 1b3k h HIS 112 N 1.13 -0.20 -0.30 1.56 2.76 -0.69 -0.88 115.15 118.54 1b3k h HIS 112 Ca 0.37 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.59 1b3k h HIS 112 Cb 0.05 0.06 -0.08 0.00 1.55 0.00 0.00 27.41 28.99 1b3k h HIS 112 CO -0.00 0.04 -0.44 0.35 -1.30 0.00 0.00 177.93 176.59 1b3k h PHE 113 N -0.42 -1.27 -0.14 5.26 3.57 0.10 0.31 116.94 124.35 1b3k h PHE 113 Ca -0.02 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1b3k h PHE 113 Cb 0.33 0.60 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1b3k h PHE 113 CO -0.00 -0.46 0.15 0.35 -2.23 0.00 0.00 178.31 176.12 1b3k h PHE 114 N -0.40 0.00 0.68 0.41 3.04 -0.85 -1.02 116.94 118.82 1b3k h PHE 114 Ca 0.11 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.03 1b3k h PHE 114 Cb 0.60 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.12 1b3k h PHE 114 CO -0.58 0.00 -0.33 -0.09 -2.02 0.00 0.00 178.31 175.29 1b3k h ARG 115 N 0.00 -0.89 -0.06 1.11 2.43 0.11 -1.43 114.38 115.65 1b3k h ARG 115 Ca 0.07 0.06 -0.23 0.00 -0.81 0.00 0.00 59.98 59.06 1b3k h ARG 115 Cb 0.37 0.20 0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1b3k h ARG 115 CO -0.00 -0.58 -0.90 -0.07 -1.51 0.00 0.00 179.97 176.91 1b3k h LEU 116 N -0.96 0.77 -1.88 3.80 4.07 -0.96 -3.37 115.31 116.78 1b3k h LEU 116 Ca -0.09 -0.57 0.00 0.00 0.08 0.00 0.00 57.88 57.30 1b3k h LEU 116 Cb 0.72 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.22 1b3k h LEU 116 CO 0.15 1.36 0.00 0.49 -1.08 0.00 0.00 178.44 179.36 1b3k n PHE 117 N -3.85 0.15 -1.39 1.13 3.72 -0.46 -4.68 117.46 112.09 1b3k n PHE 117 Ca -0.08 -0.14 -0.13 0.00 -0.05 0.00 0.00 57.45 57.06 1b3k n PHE 117 Cb 0.81 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 39.29 1b3k n PHE 117 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1b3k n ARG 118 N 0.74 -1.30 -4.49 -1.08 5.12 -0.54 -4.90 116.66 110.22 1b3k n ARG 118 Ca 0.09 0.74 -0.24 0.00 -1.93 0.00 0.00 57.85 56.51 1b3k n ARG 118 Cb 0.37 -4.98 -0.09 0.00 -1.16 0.00 0.00 32.46 26.60 1b3k n ARG 118 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1b3k s SER 119 N -2.07 2.60 0.04 0.55 0.01 -1.26 -5.03 113.70 108.53 1b3k s SER 119 Ca 0.00 -1.59 0.04 0.00 1.31 0.00 0.00 55.95 55.71 1b3k s SER 119 Cb 0.00 0.36 -0.02 0.00 0.21 0.00 0.00 66.02 66.57 1b3k s SER 119 CO 0.00 -0.85 -0.12 0.42 0.41 0.00 0.00 173.24 173.09 1b3k s THR 120 N -3.26 0.95 -0.51 1.44 -4.23 -1.26 -3.48 115.64 105.29 1b3k s THR 120 Ca 0.27 -0.94 -0.28 0.00 -1.18 0.00 0.00 61.69 59.56 1b3k s THR 120 Cb 0.04 -0.88 0.01 0.00 1.34 0.00 0.00 72.50 73.01 1b3k s THR 120 CO 0.15 -0.05 1.41 -0.69 -0.54 0.00 0.00 174.62 174.90 1b3k s VAL 121 N -0.86 3.83 0.15 2.29 1.01 -1.26 -4.72 120.40 120.84 1b3k s VAL 121 Ca -0.00 0.77 -0.34 0.00 0.00 0.00 0.00 61.98 62.41 1b3k s VAL 121 Cb -0.08 -4.35 -0.14 0.00 0.00 0.00 0.00 36.38 31.81 1b3k s VAL 121 CO 0.01 -1.01 1.53 0.29 0.00 0.00 0.00 175.10 175.92 1b3k n LYS 122 N 8.43 1.98 -3.73 2.72 4.76 0.54 -4.80 118.16 128.06 1b3k n LYS 122 Ca 0.14 0.71 -0.38 0.00 -2.87 0.00 0.00 58.31 55.91 1b3k n LYS 122 Cb 0.49 -2.45 -0.12 0.00 -1.84 0.00 0.00 35.03 31.10 1b3k n LYS 122 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1b3k s GLN 123 N 0.76 2.72 0.28 1.97 -0.21 -1.26 -0.39 119.66 123.52 1b3k s GLN 123 Ca 0.79 -1.12 0.09 0.00 0.02 0.00 0.00 55.36 55.14 1b3k s GLN 123 Cb -0.72 -3.48 -0.05 0.00 1.00 0.00 0.00 33.01 29.75 1b3k s GLN 123 CO 0.40 -0.64 -0.13 0.14 -2.12 0.00 0.00 175.29 172.94 1b3k s VAL 124 N 1.44 2.05 -0.61 1.09 -7.23 -0.89 -4.69 120.40 111.56 1b3k s VAL 124 Ca -0.01 -2.25 -0.15 0.00 -1.81 0.00 0.00 61.98 57.77 1b3k s VAL 124 Cb -0.19 -2.36 0.15 0.00 0.56 0.00 0.00 36.38 34.54 1b3k s VAL 124 CO 0.03 -0.38 0.55 -0.62 -0.31 0.00 0.00 175.10 174.38 1b3k s ASP 125 N -3.47 6.27 0.00 4.85 2.15 -1.26 -1.20 116.67 124.01 1b3k s ASP 125 Ca 0.29 -2.04 0.04 0.00 0.43 0.00 0.00 52.55 51.26 1b3k s ASP 125 Cb -0.00 -2.19 0.22 0.00 -0.30 0.00 0.00 42.92 40.65 1b3k s ASP 125 CO 0.13 -0.77 0.56 0.49 -0.17 0.00 0.00 175.17 175.41 1b3k n PHE 126 N 4.88 0.00 0.12 -5.34 3.72 -1.26 -1.21 117.46 118.36 1b3k n PHE 126 Ca -0.06 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.33 1b3k n PHE 126 Cb 0.42 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 1b3k n PHE 126 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1b3k h SER 127 N 0.00 0.00 -1.97 4.37 0.02 -1.87 -3.14 113.55 110.95 1b3k h SER 127 Ca 0.00 0.00 -0.78 0.00 -0.84 0.00 0.00 61.79 60.17 1b3k h SER 127 Cb 0.00 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 62.33 1b3k h SER 127 CO 0.00 0.67 1.55 -0.62 -1.14 0.00 0.00 176.83 177.28 1b3k n GLU 128 N -3.31 4.24 -0.27 3.45 -0.58 -0.35 -4.82 120.64 119.00 1b3k n GLU 128 Ca 0.01 -3.99 0.07 0.00 -0.42 0.00 0.00 57.16 52.82 1b3k n GLU 128 Cb 0.79 -2.69 0.18 0.00 -0.57 0.00 0.00 31.44 29.14 1b3k n GLU 128 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1b3k h VAL 129 N 3.33 0.29 -0.67 2.62 2.07 -1.80 0.42 116.25 122.50 1b3k h VAL 129 Ca 0.38 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.80 1b3k h VAL 129 Cb 0.55 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1b3k h VAL 129 CO 1.46 0.02 0.16 -0.33 0.02 0.00 0.00 177.57 178.91 1b3k h GLU 130 N 0.10 1.08 0.36 1.57 4.39 -1.94 -1.09 114.58 119.05 1b3k h GLU 130 Ca 0.45 -0.26 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 1b3k h GLU 130 Cb 0.81 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1b3k h GLU 130 CO -0.70 0.96 -0.18 -0.09 -1.16 0.00 0.00 179.01 177.84 1b3k h ARG 131 N 1.01 -0.47 -0.03 2.33 9.65 -1.27 -3.06 114.38 122.54 1b3k h ARG 131 Ca 0.21 0.03 0.03 0.00 -1.10 0.00 0.00 59.98 59.15 1b3k h ARG 131 Cb 0.37 0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.02 1b3k h ARG 131 CO 0.00 -0.15 -0.16 0.00 2.80 0.00 0.00 179.97 182.46 1b3k h ALA 132 N -0.50 -0.17 -1.20 2.80 0.00 -0.33 0.17 119.26 120.03 1b3k h ALA 132 Ca -0.05 0.01 0.34 0.00 0.00 0.00 0.00 54.91 55.22 1b3k h ALA 132 Cb 0.54 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 1b3k h ALA 132 CO 0.08 -0.64 0.82 -0.09 0.00 0.00 0.00 179.25 179.42 1b3k h ARG 133 N -0.25 0.15 0.02 0.00 2.43 -1.29 0.26 114.38 115.70 1b3k h ARG 133 Ca 0.06 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1b3k h ARG 133 Cb 0.33 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1b3k h ARG 133 CO -0.17 0.10 -0.19 0.35 -1.51 0.00 0.00 179.97 178.55 1b3k h PHE 134 N 0.16 0.09 -0.85 2.20 3.57 -0.91 -3.07 116.94 118.14 1b3k h PHE 134 Ca 0.64 -0.06 0.21 0.00 3.53 0.00 0.00 57.97 62.28 1b3k h PHE 134 Cb 2.13 -0.00 -0.13 0.00 2.79 0.00 0.00 35.95 40.74 1b3k h PHE 134 CO -0.00 1.07 0.28 0.82 -2.23 0.00 0.00 178.31 178.26 1b3k h ILE 135 N -0.90 0.44 0.88 1.41 2.04 0.12 0.90 117.51 122.40 1b3k h ILE 135 Ca -0.04 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 1b3k h ILE 135 Cb 1.12 0.11 0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1b3k h ILE 135 CO 0.01 0.06 -0.42 0.40 0.00 0.00 0.00 178.15 178.20 1b3k h ILE 136 N 0.31 0.04 -0.68 -0.67 2.04 -1.26 -2.29 117.51 114.99 1b3k h ILE 136 Ca 0.51 -0.11 0.09 0.00 1.00 0.00 0.00 64.86 66.36 1b3k h ILE 136 Cb 0.97 0.05 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 1b3k h ILE 136 CO -0.56 0.00 0.32 0.78 0.00 0.00 0.00 178.15 178.69 1b3k h ASN 137 N -1.28 0.40 -0.04 1.72 -0.26 -1.11 0.39 115.58 115.40 1b3k h ASN 137 Ca -0.12 0.06 0.01 0.00 -0.56 0.00 0.00 56.30 55.70 1b3k h ASN 137 Cb 0.91 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.17 1b3k h ASN 137 CO 0.20 0.23 0.04 -0.78 -1.06 0.00 0.00 177.43 176.06 1b3k h ASP 138 N 0.55 0.00 0.02 5.81 3.58 0.83 -1.39 116.42 125.82 1b3k h ASP 138 Ca 0.34 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.79 1b3k h ASP 138 Cb 0.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.42 1b3k h ASP 138 CO -0.28 0.00 -0.01 -0.25 -2.88 0.00 0.00 179.24 175.82 1b3k h TRP 139 N 0.00 -0.02 -0.05 0.28 2.91 -0.33 -1.52 115.95 117.21 1b3k h TRP 139 Ca 0.02 -0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.06 1b3k h TRP 139 Cb 0.10 0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 28.75 1b3k h TRP 139 CO 0.00 0.51 0.06 0.28 -1.03 0.00 0.00 178.44 178.26 1b3k h VAL 140 N -0.58 0.57 0.02 2.65 2.07 -1.01 -2.44 116.25 117.53 1b3k h VAL 140 Ca -0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1b3k h VAL 140 Cb 0.55 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1b3k h VAL 140 CO 0.00 0.00 -0.18 0.50 0.02 0.00 0.00 177.57 177.91 1b3k h LYS 141 N 0.00 0.09 0.00 1.57 3.64 -1.00 -2.90 116.57 117.98 1b3k h LYS 141 Ca 0.03 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1b3k h LYS 141 Cb 0.14 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1b3k h LYS 141 CO -0.00 0.95 0.00 0.25 -2.27 0.00 0.00 179.45 178.38 1b3k n THR 142 N -4.54 0.89 0.25 1.00 -2.24 -0.59 -0.21 114.28 108.84 1b3k n THR 142 Ca -0.10 0.22 0.02 0.00 -2.27 0.00 0.00 64.05 61.93 1b3k n THR 142 Cb 0.51 -0.96 -0.03 0.00 -2.10 0.00 0.00 70.33 67.75 1b3k n THR 142 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1b3k n HIS 143 N -1.48 0.00 -1.03 4.78 8.25 -0.96 -4.47 115.22 120.31 1b3k n HIS 143 Ca 0.04 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.54 1b3k n HIS 143 Cb 0.18 0.00 0.29 0.00 1.12 0.00 0.00 29.99 31.58 1b3k n HIS 143 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1b3k n THR 144 N -1.07 2.55 -2.28 1.59 -2.24 -1.09 -4.45 114.28 107.29 1b3k n THR 144 Ca 0.01 -1.83 -0.19 0.00 -2.27 0.00 0.00 64.05 59.77 1b3k n THR 144 Cb 0.08 -0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.01 1b3k n THR 144 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1b3k n LYS 145 N -0.27 -1.54 -0.66 -0.78 4.76 -1.23 -1.15 118.16 117.29 1b3k n LYS 145 Ca 0.28 0.97 0.00 0.00 -2.87 0.00 0.00 58.31 56.69 1b3k n LYS 145 Cb 1.07 -5.53 0.00 0.00 -1.84 0.00 0.00 35.03 28.73 1b3k n LYS 145 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1b3k n GLY 146 N -0.97 1.01 0.27 0.72 0.00 0.71 -4.84 105.19 102.10 1b3k n GLY 146 Ca -0.23 0.00 0.17 0.00 0.00 0.00 0.00 46.02 45.96 1b3k n GLY 146 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1b3k h MET 147 N 1.94 0.00 -3.11 1.61 2.86 -1.38 -3.36 114.93 113.50 1b3k h MET 147 Ca 0.00 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 57.04 1b3k h MET 147 Cb 0.00 0.00 -0.40 0.00 0.06 0.00 0.00 31.60 31.26 1b3k h MET 147 CO 0.00 0.02 -0.76 0.42 1.06 0.00 0.00 176.91 177.65 1b3k s ILE 148 N -3.67 1.08 -1.07 -1.22 1.01 -1.26 -5.00 121.20 111.07 1b3k s ILE 148 Ca 0.01 -2.10 0.24 0.00 0.00 0.00 0.00 60.65 58.80 1b3k s ILE 148 Cb 0.09 -1.78 -0.07 0.00 0.01 0.00 0.00 42.46 40.72 1b3k s ILE 148 CO 0.55 -0.84 1.23 -1.54 0.00 0.00 0.00 174.94 174.33 1b3k n SER 149 N 4.00 0.75 -3.66 3.58 3.41 -1.26 -2.57 113.62 117.88 1b3k n SER 149 Ca 0.06 -0.59 -0.13 0.00 -0.26 0.00 0.00 58.87 57.95 1b3k n SER 149 Cb 0.37 0.52 -0.08 0.00 -0.26 0.00 0.00 64.21 64.76 1b3k n SER 149 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1b3k s HIS 150 N -2.96 -0.73 -0.18 7.33 5.65 -1.26 -4.60 115.29 118.54 1b3k s HIS 150 Ca 0.11 1.73 -0.03 0.00 0.25 0.00 0.00 55.06 57.11 1b3k s HIS 150 Cb 0.17 0.27 -0.02 0.00 -1.18 0.00 0.00 32.58 31.83 1b3k s HIS 150 CO 0.75 -0.35 -0.06 -0.51 -0.65 0.00 0.00 174.74 173.92 1b3k s LEU 151 N 0.49 2.95 0.49 8.88 1.43 -1.26 -5.00 118.68 126.66 1b3k s LEU 151 Ca -0.01 -0.31 0.22 0.00 -1.03 0.00 0.00 54.13 53.00 1b3k s LEU 151 Cb -0.05 -1.72 1.29 0.00 0.03 0.00 0.00 46.19 45.74 1b3k s LEU 151 CO -0.01 0.07 2.05 -0.07 0.23 0.00 0.00 176.35 178.61 1b3k h LEU 152 N 7.41 0.00 -0.98 1.79 4.07 -2.00 -2.85 115.31 122.75 1b3k h LEU 152 Ca -0.35 0.00 0.08 0.00 0.08 0.00 0.00 57.88 57.69 1b3k h LEU 152 Cb 1.18 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.85 1b3k h LEU 152 CO 0.60 0.14 0.63 1.23 -1.08 0.00 0.00 178.44 179.96 1b3k h GLY 153 N 0.69 1.52 0.90 0.83 0.00 -1.99 0.63 103.07 105.65 1b3k h GLY 153 Ca -0.00 -0.45 0.08 0.00 0.00 0.00 0.00 47.33 46.96 1b3k h GLY 153 CO 0.02 0.28 0.47 -0.91 0.00 0.00 0.00 176.54 176.40 1b3k h THR 154 N 1.10 0.21 0.00 4.70 1.35 -1.88 0.26 112.91 118.65 1b3k h THR 154 Ca 0.44 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.30 1b3k h THR 154 Cb 0.25 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 67.26 1b3k h THR 154 CO -0.20 0.00 0.31 0.61 -0.25 0.00 0.00 175.52 175.99 1b3k n GLY 155 N -1.41 -0.54 0.55 5.82 0.00 0.21 -0.17 105.19 109.65 1b3k n GLY 155 Ca 0.05 0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.22 1b3k n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b3k n ALA 156 N -1.50 2.36 -2.00 4.61 0.00 0.93 -4.97 120.51 119.93 1b3k n ALA 156 Ca -0.01 -0.82 -0.41 0.00 0.00 0.00 0.00 53.44 52.21 1b3k n ALA 156 Cb 0.33 -0.42 -0.04 0.00 0.00 0.00 0.00 19.45 19.32 1b3k n ALA 156 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1b3k s VAL 157 N -0.98 3.77 0.35 0.00 -7.23 0.76 -4.99 120.40 112.08 1b3k s VAL 157 Ca 0.18 1.57 0.02 0.00 -1.81 0.00 0.00 61.98 61.94 1b3k s VAL 157 Cb 0.11 -4.00 -0.01 0.00 0.56 0.00 0.00 36.38 33.04 1b3k s VAL 157 CO 0.15 0.29 0.41 1.51 -0.31 0.00 0.00 175.10 177.16 1b3k s ASP 158 N -0.25 1.31 0.60 4.85 -4.77 -1.26 -4.96 116.67 112.19 1b3k s ASP 158 Ca 0.49 -1.63 0.29 0.00 -3.30 0.00 0.00 52.55 48.40 1b3k s ASP 158 Cb -0.30 0.64 1.58 0.00 -1.09 0.00 0.00 42.92 43.75 1b3k s ASP 158 CO 0.36 -1.24 1.88 0.06 0.70 0.00 0.00 175.17 176.93 1b3k h GLN 159 N 2.09 0.00 -0.01 2.11 3.07 -1.86 0.62 115.11 121.13 1b3k h GLN 159 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.47 1b3k h GLN 159 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.80 1b3k h GLN 159 CO 0.37 0.00 -0.41 1.28 0.09 0.00 0.00 178.83 180.16 1b3k n LEU 160 N -2.76 0.99 -4.73 0.06 4.77 -1.26 -4.60 117.00 109.46 1b3k n LEU 160 Ca -0.02 -0.27 -0.40 0.00 -0.03 0.00 0.00 56.01 55.29 1b3k n LEU 160 Cb 0.31 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.29 1b3k n LEU 160 CO 0.13 0.20 0.96 0.41 -1.33 0.00 0.00 177.39 177.76 1b3k n THR 161 N -0.89 2.87 0.00 -5.08 -1.04 0.21 -4.92 114.28 105.43 1b3k n THR 161 Ca 0.09 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 1b3k n THR 161 Cb 0.36 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 1b3k n THR 161 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1b3k n ARG 162 N -0.23 0.00 -3.94 -2.82 5.12 -1.26 -4.78 116.66 108.74 1b3k n ARG 162 Ca 0.07 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.77 1b3k n ARG 162 Cb 0.41 -0.46 -0.17 0.00 -1.16 0.00 0.00 32.46 31.09 1b3k n ARG 162 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1b3k s LEU 163 N -5.17 0.95 -0.01 0.55 2.96 -1.25 -1.72 118.68 115.00 1b3k s LEU 163 Ca 0.00 -0.13 0.06 0.00 -0.22 0.00 0.00 54.13 53.85 1b3k s LEU 163 Cb 0.00 -0.49 -0.02 0.00 0.50 0.00 0.00 46.19 46.18 1b3k s LEU 163 CO 0.00 -0.13 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.01 1b3k s VAL 164 N 1.52 1.60 0.01 1.68 1.01 0.21 0.15 120.40 126.57 1b3k s VAL 164 Ca -0.01 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.15 1b3k s VAL 164 Cb -0.13 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 1b3k s VAL 164 CO -0.03 0.42 -0.26 -0.22 0.00 0.00 0.00 175.10 175.01 1b3k s LEU 165 N -0.55 2.10 -0.05 3.92 0.20 0.59 -0.85 118.68 124.03 1b3k s LEU 165 Ca 0.08 -0.51 -0.08 0.00 0.69 0.00 0.00 54.13 54.31 1b3k s LEU 165 Cb -0.08 -1.29 0.02 0.00 -0.43 0.00 0.00 46.19 44.41 1b3k s LEU 165 CO -0.00 0.29 0.21 -0.69 -0.29 0.00 0.00 176.35 175.86 1b3k s VAL 166 N -0.68 0.03 -0.07 1.68 1.01 -0.57 -2.25 120.40 119.55 1b3k s VAL 166 Ca 0.10 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 1b3k s VAL 166 Cb -0.10 -0.38 0.04 0.00 0.00 0.00 0.00 36.38 35.94 1b3k s VAL 166 CO 0.00 -0.13 0.16 0.21 0.00 0.00 0.00 175.10 175.34 1b3k s ASN 167 N -0.46 0.04 -0.01 3.32 2.47 -0.50 -2.30 114.94 117.50 1b3k s ASN 167 Ca -0.06 0.33 0.00 0.00 0.42 0.00 0.00 52.86 53.55 1b3k s ASN 167 Cb -0.04 0.23 0.01 0.00 -1.45 0.00 0.00 41.25 40.00 1b3k s ASN 167 CO 0.01 -0.17 0.01 0.00 -3.72 0.00 0.00 177.10 173.23 1b3k s ALA 168 N 1.41 0.05 0.01 1.71 0.00 -0.81 -1.44 121.76 122.69 1b3k s ALA 168 Ca -0.07 0.08 -0.05 0.00 0.00 0.00 0.00 51.96 51.92 1b3k s ALA 168 Cb -0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1b3k s ALA 168 CO -0.06 -0.03 0.08 -0.51 0.00 0.00 0.00 175.76 175.24 1b3k s LEU 169 N 0.31 1.82 -0.04 0.00 1.43 -0.76 -2.00 118.68 119.43 1b3k s LEU 169 Ca -0.03 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 1b3k s LEU 169 Cb -0.04 0.47 0.02 0.00 0.03 0.00 0.00 46.19 46.67 1b3k s LEU 169 CO -0.01 -0.36 -0.06 -0.47 0.23 0.00 0.00 176.35 175.68 1b3k s TYR 170 N -1.53 0.85 -0.02 0.29 5.04 -1.01 -2.02 117.35 118.95 1b3k s TYR 170 Ca -0.14 -0.24 -0.01 0.00 -2.44 0.00 0.00 57.07 54.24 1b3k s TYR 170 Cb -0.08 -0.69 0.01 0.00 0.35 0.00 0.00 41.96 41.56 1b3k s TYR 170 CO 0.00 -0.17 0.05 0.12 -1.34 0.00 0.00 175.55 174.21 1b3k s PHE 171 N 0.69 -0.03 -0.50 4.97 5.36 -0.29 -0.88 117.98 127.30 1b3k s PHE 171 Ca -0.10 0.15 0.06 0.00 -0.96 0.00 0.00 56.93 56.08 1b3k s PHE 171 Cb -0.13 -0.07 0.21 0.00 -0.34 0.00 0.00 43.02 42.70 1b3k s PHE 171 CO 0.01 -0.06 0.78 -1.71 -1.46 0.00 0.00 175.22 172.78 1b3k n ASN 172 N 3.50 -3.01 -4.70 6.13 4.05 -0.16 -0.34 115.26 120.73 1b3k n ASN 172 Ca -0.18 -3.06 -0.31 0.00 0.45 0.00 0.00 54.58 51.49 1b3k n ASN 172 Cb 0.56 1.63 0.14 0.00 1.23 0.00 0.00 39.78 43.34 1b3k n ASN 172 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1b3k s GLY 173 N -0.30 1.66 -0.33 8.20 0.00 -1.26 -4.65 107.32 110.64 1b3k s GLY 173 Ca 0.31 0.32 -0.13 0.00 0.00 0.00 0.00 44.72 45.23 1b3k s GLY 173 CO -0.14 0.75 0.24 1.20 0.00 0.00 0.00 173.10 175.15 1b3k s GLN 174 N -4.77 3.58 0.50 2.90 -0.21 -1.26 -4.09 119.66 116.30 1b3k s GLN 174 Ca 0.64 -0.57 -0.22 0.00 0.02 0.00 0.00 55.36 55.23 1b3k s GLN 174 Cb -0.20 -3.78 -0.07 0.00 1.00 0.00 0.00 33.01 29.95 1b3k s GLN 174 CO 0.58 -0.41 1.15 0.91 -2.12 0.00 0.00 175.29 175.40 1b3k n TRP 175 N 5.12 1.61 -0.03 0.91 5.03 -1.26 0.70 117.44 129.53 1b3k n TRP 175 Ca -0.13 0.48 -0.13 0.00 3.03 0.00 0.00 57.50 60.75 1b3k n TRP 175 Cb 0.50 -2.28 -0.09 0.00 -1.03 0.00 0.00 31.31 28.41 1b3k n TRP 175 CO 0.00 0.00 0.00 -0.22 -0.03 0.00 0.00 177.69 177.44 1b3k h LYS 176 N 1.38 0.10 -4.52 -0.99 3.64 -1.40 -3.33 116.57 111.46 1b3k h LYS 176 Ca -0.48 -0.06 -0.67 0.00 -1.27 0.00 0.00 60.65 58.17 1b3k h LYS 176 Cb 1.32 0.00 -0.38 0.00 -0.41 0.00 0.00 32.23 32.77 1b3k h LYS 176 CO 0.56 0.59 -0.65 0.99 -2.27 0.00 0.00 179.45 178.67 1b3k s THR 177 N -4.15 2.63 0.56 1.00 2.01 -1.26 -4.83 115.64 111.61 1b3k s THR 177 Ca -0.16 -2.34 -0.20 0.00 0.31 0.00 0.00 61.69 59.30 1b3k s THR 177 Cb 0.02 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 1b3k s THR 177 CO 0.70 -0.65 1.25 -2.84 -0.69 0.00 0.00 174.62 172.39 1b3k s PRO 178 N 0.87 3.10 0.00 4.92 0.02 -1.26 -5.00 135.00 137.65 1b3k s PRO 178 Ca 0.11 1.96 -0.30 0.00 0.02 0.00 0.00 61.00 62.79 1b3k s PRO 178 Cb -0.21 -2.09 -0.03 0.00 0.02 0.00 0.00 34.50 32.20 1b3k s PRO 178 CO -0.06 -1.14 0.97 -0.06 -0.33 0.00 0.00 177.00 176.38 1b3k s PHE 179 N -1.48 3.66 0.26 6.54 0.40 0.24 -4.98 117.98 122.62 1b3k s PHE 179 Ca 0.74 1.69 -0.30 0.00 -0.60 0.00 0.00 56.93 58.45 1b3k s PHE 179 Cb -0.34 -3.11 -0.11 0.00 0.51 0.00 0.00 43.02 39.97 1b3k s PHE 179 CO 0.38 -0.00 1.61 -2.14 0.70 0.00 0.00 175.22 175.77 1b3k s PRO 180 N 0.98 4.14 0.15 0.24 0.02 -1.26 -4.61 135.00 134.66 1b3k s PRO 180 Ca 0.51 2.55 -0.13 0.00 0.02 0.00 0.00 61.00 63.95 1b3k s PRO 180 Cb -0.21 -3.05 0.02 0.00 0.02 0.00 0.00 34.50 31.29 1b3k s PRO 180 CO 0.28 -0.64 1.64 -0.44 -0.33 0.00 0.00 177.00 177.51 1b3k h ASP 181 N 5.41 0.77 0.00 2.53 3.32 -1.95 -2.82 116.42 123.68 1b3k h ASP 181 Ca -0.46 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.34 1b3k h ASP 181 Cb 1.21 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.56 1b3k h ASP 181 CO 0.84 0.82 0.00 -1.54 -1.72 0.00 0.00 179.24 177.63 1b3k n SER 182 N -4.44 0.00 0.00 6.45 3.41 -1.26 -1.96 113.62 115.82 1b3k n SER 182 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1b3k n SER 182 Cb 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1b3k n SER 182 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1b3k n SER 183 N 0.09 4.09 -4.53 4.04 7.64 -1.06 -4.74 113.62 119.14 1b3k n SER 183 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 1b3k n SER 183 Cb 0.00 0.10 -0.14 0.00 -1.01 0.00 0.00 64.21 63.16 1b3k n SER 183 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1b3k n THR 184 N -2.37 -0.00 -2.46 0.44 -1.04 -0.83 -4.69 114.28 103.33 1b3k n THR 184 Ca 0.00 -0.49 -0.23 0.00 -2.04 0.00 0.00 64.05 61.28 1b3k n THR 184 Cb 0.49 -1.09 0.13 0.00 -1.82 0.00 0.00 70.33 68.03 1b3k n THR 184 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1b3k n HIS 185 N 12.49 -3.16 -3.05 -1.42 1.44 -1.17 -4.77 115.22 115.57 1b3k n HIS 185 Ca 0.57 -1.58 -0.37 0.00 -2.01 0.00 0.00 57.72 54.32 1b3k n HIS 185 Cb 0.29 -0.75 -0.02 0.00 0.12 0.00 0.00 29.99 29.63 1b3k n HIS 185 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 1b3k n ARG 186 N -2.95 4.04 -1.10 -1.40 0.63 -1.26 -1.02 116.66 113.60 1b3k n ARG 186 Ca 0.16 -4.63 -0.29 0.00 -0.92 0.00 0.00 57.85 52.18 1b3k n ARG 186 Cb 0.56 -2.42 0.19 0.00 0.45 0.00 0.00 32.46 31.24 1b3k n ARG 186 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1b3k s ARG 187 N -2.99 0.21 0.06 -0.14 0.52 -1.15 -4.62 118.95 110.85 1b3k s ARG 187 Ca 0.36 0.53 -0.13 0.00 -0.52 0.00 0.00 55.73 55.96 1b3k s ARG 187 Cb 0.11 -1.71 -0.06 0.00 0.52 0.00 0.00 34.95 33.81 1b3k s ARG 187 CO 0.03 -2.88 0.44 -1.17 0.02 0.00 0.00 175.30 171.74 1b3k s LEU 188 N -6.56 4.41 -0.03 2.53 2.96 -1.26 -1.55 118.68 119.18 1b3k s LEU 188 Ca 0.66 0.94 0.07 0.00 -0.22 0.00 0.00 54.13 55.58 1b3k s LEU 188 Cb -0.19 -2.86 -0.02 0.00 0.50 0.00 0.00 46.19 43.62 1b3k s LEU 188 CO 0.58 0.23 -0.24 0.12 -1.32 0.00 0.00 176.35 175.72 1b3k s PHE 189 N -1.26 2.21 -0.25 5.38 5.36 0.14 -4.83 117.98 124.73 1b3k s PHE 189 Ca 0.30 -0.49 -0.11 0.00 -0.96 0.00 0.00 56.93 55.67 1b3k s PHE 189 Cb -0.16 -1.43 -0.05 0.00 -0.34 0.00 0.00 43.02 41.04 1b3k s PHE 189 CO 0.16 -0.09 0.17 -1.01 -1.46 0.00 0.00 175.22 172.99 1b3k s HIS 190 N -0.44 3.29 0.66 10.12 3.76 -0.00 -0.95 115.29 131.72 1b3k s HIS 190 Ca 0.05 0.19 -0.08 0.00 -0.15 0.00 0.00 55.06 55.08 1b3k s HIS 190 Cb -0.11 -2.30 0.02 0.00 1.11 0.00 0.00 32.58 31.30 1b3k s HIS 190 CO 0.00 -0.00 0.99 0.15 -0.85 0.00 0.00 174.74 175.03 1b3k s LYS 191 N 1.27 2.72 0.33 1.40 1.02 -1.03 -4.04 119.74 121.42 1b3k s LYS 191 Ca 0.07 0.10 0.13 0.00 0.02 0.00 0.00 55.97 56.29 1b3k s LYS 191 Cb -0.14 -2.16 0.57 0.00 -0.52 0.00 0.00 37.83 35.57 1b3k s LYS 191 CO 0.06 -0.94 1.72 0.66 -0.92 0.00 0.00 175.35 175.94 1b3k h SER 192 N -0.44 0.00 -0.87 2.83 4.64 -1.90 -2.50 113.55 115.30 1b3k h SER 192 Ca -0.45 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.10 1b3k h SER 192 Cb 1.27 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.22 1b3k h SER 192 CO 0.62 0.48 0.21 -0.78 -0.87 0.00 0.00 176.83 176.49 1b3k h ASP 193 N 0.00 -0.04 0.00 4.97 1.82 -1.94 -3.45 116.42 117.78 1b3k h ASP 193 Ca -0.00 0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.83 1b3k h ASP 193 Cb 0.88 0.28 0.00 0.00 0.68 0.00 0.00 39.33 41.16 1b3k h ASP 193 CO 0.06 -0.16 0.00 0.61 -1.61 0.00 0.00 179.24 178.14 1b3k n GLY 194 N -1.38 2.33 0.00 -0.78 0.00 -0.94 -5.10 105.19 99.31 1b3k n GLY 194 Ca 0.21 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1b3k n GLY 194 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1b3k n SER 195 N 0.00 -0.34 -3.60 1.61 3.41 -1.26 -4.68 113.62 108.75 1b3k n SER 195 Ca 0.00 -0.04 -0.09 0.00 -0.26 0.00 0.00 58.87 58.48 1b3k n SER 195 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1b3k n SER 195 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1b3k s THR 196 N -0.21 0.00 -0.27 6.66 -4.23 -1.26 -2.45 115.64 113.88 1b3k s THR 196 Ca 0.00 -1.23 -0.25 0.00 -1.18 0.00 0.00 61.69 59.02 1b3k s THR 196 Cb 0.00 -2.37 0.10 0.00 1.34 0.00 0.00 72.50 71.57 1b3k s THR 196 CO 0.00 0.00 0.90 0.68 -0.54 0.00 0.00 174.62 175.66 1b3k s VAL 197 N -3.46 0.00 -0.46 2.29 -7.23 -0.13 -4.91 120.40 106.50 1b3k s VAL 197 Ca 0.19 0.00 -0.21 0.00 -1.81 0.00 0.00 61.98 60.15 1b3k s VAL 197 Cb -0.03 -1.00 0.03 0.00 0.56 0.00 0.00 36.38 35.94 1b3k s VAL 197 CO 0.11 0.00 0.69 -0.44 -0.31 0.00 0.00 175.10 175.14 1b3k s SER 198 N 0.26 6.33 0.25 4.85 0.01 -1.26 0.24 113.70 124.37 1b3k s SER 198 Ca 0.02 -0.38 0.11 0.00 1.31 0.00 0.00 55.95 57.01 1b3k s SER 198 Cb -0.05 -2.34 -0.05 0.00 0.21 0.00 0.00 66.02 63.80 1b3k s SER 198 CO -0.03 -0.85 -0.19 0.68 0.41 0.00 0.00 173.24 173.26 1b3k s VAL 199 N 2.96 2.57 0.41 3.43 -7.23 -0.59 -4.96 120.40 116.98 1b3k s VAL 199 Ca 0.23 -2.22 -0.26 0.00 -1.81 0.00 0.00 61.98 57.93 1b3k s VAL 199 Cb -0.14 -2.31 -0.09 0.00 0.56 0.00 0.00 36.38 34.40 1b3k s VAL 199 CO 0.19 -0.30 1.31 -2.84 -0.31 0.00 0.00 175.10 173.14 1b3k s PRO 200 N -3.25 3.94 -0.21 4.82 0.02 -1.26 -2.91 135.00 136.15 1b3k s PRO 200 Ca 0.27 2.16 -0.04 0.00 0.02 0.00 0.00 61.00 63.41 1b3k s PRO 200 Cb -0.06 -2.74 0.08 0.00 0.02 0.00 0.00 34.50 31.80 1b3k s PRO 200 CO 0.14 -0.52 0.12 -1.64 -0.33 0.00 0.00 177.00 174.77 1b3k s MET 201 N -2.27 0.11 0.93 5.54 -1.94 -0.19 -2.44 119.30 119.05 1b3k s MET 201 Ca 0.57 -0.15 -0.12 0.00 -1.71 0.00 0.00 55.69 54.28 1b3k s MET 201 Cb -0.38 -1.56 0.15 0.00 2.01 0.00 0.00 34.83 35.05 1b3k s MET 201 CO 0.49 -0.76 1.11 0.00 -0.01 0.00 0.00 175.02 175.84 1b3k s MET 202 N 2.16 0.97 -0.28 2.03 0.23 -0.93 -3.07 119.30 120.41 1b3k s MET 202 Ca 0.04 0.52 -0.23 0.00 -1.03 0.00 0.00 55.69 54.99 1b3k s MET 202 Cb -0.16 -1.80 0.11 0.00 -1.53 0.00 0.00 34.83 31.46 1b3k s MET 202 CO -0.17 -2.37 0.95 0.00 -2.03 0.00 0.00 175.02 171.41 1b3k s ALA 203 N -3.07 -1.97 0.05 3.16 0.00 -1.26 -0.84 121.76 117.83 1b3k s ALA 203 Ca 0.64 1.98 0.01 0.00 0.00 0.00 0.00 51.96 54.59 1b3k s ALA 203 Cb -0.17 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 1b3k s ALA 203 CO 0.56 -0.28 -0.06 1.14 0.00 0.00 0.00 175.76 177.12 1b3k s GLN 204 N 0.47 0.57 -0.17 0.00 -2.07 -0.43 -4.48 119.66 113.55 1b3k s GLN 204 Ca 0.00 -0.93 -0.04 0.00 -1.82 0.00 0.00 55.36 52.57 1b3k s GLN 204 Cb -0.05 -0.12 -0.03 0.00 -1.09 0.00 0.00 33.01 31.72 1b3k s GLN 204 CO -0.07 -0.01 -0.02 0.99 -1.32 0.00 0.00 175.29 174.86 1b3k s THR 205 N -2.27 4.01 0.08 3.63 2.01 -1.26 -0.14 115.64 121.71 1b3k s THR 205 Ca -0.04 -0.31 -0.27 0.00 0.31 0.00 0.00 61.69 61.39 1b3k s THR 205 Cb -0.04 -2.78 0.09 0.00 0.01 0.00 0.00 72.50 69.78 1b3k s THR 205 CO -0.03 0.48 1.12 0.21 -0.69 0.00 0.00 174.62 175.71 1b3k s ASN 206 N 0.46 -0.08 -1.24 3.53 3.84 -0.83 -4.97 114.94 115.65 1b3k s ASN 206 Ca -0.02 -0.34 -0.13 0.00 0.21 0.00 0.00 52.86 52.58 1b3k s ASN 206 Cb -0.14 0.34 0.17 0.00 -0.55 0.00 0.00 41.25 41.07 1b3k s ASN 206 CO 0.02 -0.65 1.58 0.29 -2.79 0.00 0.00 177.10 175.55 1b3k n LYS 207 N -0.56 3.44 -2.06 0.43 5.02 -1.25 -1.58 118.16 121.60 1b3k n LYS 207 Ca -0.06 -3.73 -0.39 0.00 -2.02 0.00 0.00 58.31 52.11 1b3k n LYS 207 Cb 0.61 -3.02 0.00 0.00 -0.02 0.00 0.00 35.03 32.60 1b3k n LYS 207 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1b3k s PHE 208 N 1.29 2.76 -0.45 2.13 0.40 -0.53 -3.67 117.98 119.91 1b3k s PHE 208 Ca 0.42 1.43 -0.28 0.00 -0.60 0.00 0.00 56.93 57.91 1b3k s PHE 208 Cb 0.01 -3.62 -0.02 0.00 0.51 0.00 0.00 43.02 39.91 1b3k s PHE 208 CO 0.00 -2.06 1.77 1.21 0.70 0.00 0.00 175.22 176.84 1b3k s ASN 209 N -0.91 5.71 0.26 1.36 2.47 -1.26 -1.33 114.94 121.25 1b3k s ASN 209 Ca 0.60 0.85 0.11 0.00 0.42 0.00 0.00 52.86 54.84 1b3k s ASN 209 Cb -0.36 -2.53 -0.05 0.00 -1.45 0.00 0.00 41.25 36.86 1b3k s ASN 209 CO 0.46 -1.94 -0.10 -0.47 -3.72 0.00 0.00 177.10 171.33 1b3k s TYR 210 N 7.55 2.50 -0.23 0.43 5.04 -0.66 -2.46 117.35 129.51 1b3k s TYR 210 Ca 0.72 -0.27 -0.27 0.00 -2.44 0.00 0.00 57.07 54.81 1b3k s TYR 210 Cb -0.17 -1.11 0.12 0.00 0.35 0.00 0.00 41.96 41.15 1b3k s TYR 210 CO 0.28 0.65 0.97 -0.08 -1.34 0.00 0.00 175.55 176.04 1b3k s THR 211 N -2.34 0.00 -0.09 4.34 -1.32 -0.70 -0.31 115.64 115.20 1b3k s THR 211 Ca 0.30 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.69 1b3k s THR 211 Cb -0.06 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.88 1b3k s THR 211 CO 0.17 0.00 0.22 -0.70 -2.21 0.00 0.00 174.62 172.10 1b3k s GLU 212 N -0.22 3.64 0.11 7.08 2.12 -1.26 -0.32 118.70 129.85 1b3k s GLU 212 Ca 0.01 0.02 0.08 0.00 0.36 0.00 0.00 54.97 55.43 1b3k s GLU 212 Cb -0.03 -3.22 -0.04 0.00 0.26 0.00 0.00 34.13 31.10 1b3k s GLU 212 CO -0.02 0.71 -0.19 0.12 -0.54 0.00 0.00 175.26 175.33 1b3k s PHE 213 N -0.91 1.71 -0.11 5.30 5.36 -0.29 -4.94 117.98 124.11 1b3k s PHE 213 Ca 0.17 -0.44 -0.01 0.00 -0.96 0.00 0.00 56.93 55.70 1b3k s PHE 213 Cb -0.13 -0.93 0.03 0.00 -0.34 0.00 0.00 43.02 41.65 1b3k s PHE 213 CO 0.06 0.20 -0.06 0.99 -1.46 0.00 0.00 175.22 174.95 1b3k s THR 214 N -1.35 0.95 0.57 0.12 2.01 -1.26 -0.72 115.64 115.96 1b3k s THR 214 Ca 0.07 -0.25 -0.19 0.00 0.31 0.00 0.00 61.69 61.62 1b3k s THR 214 Cb -0.09 -0.99 -0.05 0.00 0.01 0.00 0.00 72.50 71.38 1b3k s THR 214 CO 0.04 0.34 1.17 0.42 -0.69 0.00 0.00 174.62 175.90 1b3k s THR 215 N 1.74 2.91 -0.80 -0.82 -4.23 0.75 -4.79 115.64 110.40 1b3k s THR 215 Ca 0.05 0.57 0.00 0.00 -1.18 0.00 0.00 61.69 61.12 1b3k s THR 215 Cb -0.13 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.49 1b3k s THR 215 CO -0.08 -0.12 0.00 -2.65 -0.54 0.00 0.00 174.62 171.23 1b3k n PRO 216 N -1.44 0.00 -0.91 3.99 -0.02 -1.26 -2.33 135.00 133.03 1b3k n PRO 216 Ca 0.13 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.61 1b3k n PRO 216 Cb 0.50 -0.89 0.00 0.00 -0.02 0.00 0.00 33.50 33.09 1b3k n PRO 216 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1b3k n ASP 217 N 0.36 0.28 0.00 2.55 5.75 -1.26 -5.01 116.55 119.22 1b3k n ASP 217 Ca 0.00 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 1b3k n ASP 217 Cb 0.00 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 1b3k n ASP 217 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b3k n GLY 218 N 0.18 0.66 3.39 6.12 0.00 -0.98 -5.06 105.19 109.49 1b3k n GLY 218 Ca -0.00 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 1b3k n GLY 218 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1b3k s HIS 219 N -2.00 3.02 -0.28 1.61 3.76 -1.25 -4.96 115.29 115.19 1b3k s HIS 219 Ca 0.00 -0.64 -0.07 0.00 -0.15 0.00 0.00 55.06 54.20 1b3k s HIS 219 Cb 0.00 -2.14 -0.01 0.00 1.11 0.00 0.00 32.58 31.55 1b3k s HIS 219 CO 0.00 -0.40 0.08 0.71 -0.85 0.00 0.00 174.74 174.28 1b3k s TYR 220 N 1.37 3.12 0.32 1.40 1.51 -1.26 -0.18 117.35 123.62 1b3k s TYR 220 Ca 0.05 -0.70 0.09 0.00 -1.01 0.00 0.00 57.07 55.49 1b3k s TYR 220 Cb -0.15 -2.26 -0.05 0.00 -0.11 0.00 0.00 41.96 39.40 1b3k s TYR 220 CO 0.00 -0.47 0.04 0.71 -1.11 0.00 0.00 175.55 174.72 1b3k s TYR 221 N 1.56 2.63 -0.16 2.71 1.51 0.11 -1.80 117.35 123.91 1b3k s TYR 221 Ca 0.05 -0.36 -0.05 0.00 -1.01 0.00 0.00 57.07 55.69 1b3k s TYR 221 Cb -0.16 -1.45 -0.03 0.00 -0.11 0.00 0.00 41.96 40.21 1b3k s TYR 221 CO 0.03 0.48 0.02 -0.51 -1.11 0.00 0.00 175.55 174.45 1b3k s ASP 222 N -3.74 5.26 -0.19 2.29 1.01 0.15 -1.14 116.67 120.32 1b3k s ASP 222 Ca 0.35 0.02 0.00 0.00 0.71 0.00 0.00 52.55 53.63 1b3k s ASP 222 Cb -0.03 -1.82 0.02 0.00 1.01 0.00 0.00 42.92 42.10 1b3k s ASP 222 CO 0.20 0.21 -0.17 -0.63 0.21 0.00 0.00 175.17 174.99 1b3k s ILE 223 N 0.14 2.29 0.34 0.77 -1.09 0.57 -1.68 121.20 122.54 1b3k s ILE 223 Ca 0.02 -0.88 0.09 0.00 -2.23 0.00 0.00 60.65 57.65 1b3k s ILE 223 Cb -0.13 -1.99 -0.05 0.00 -1.58 0.00 0.00 42.46 38.71 1b3k s ILE 223 CO 0.02 0.51 0.03 -0.76 -1.23 0.00 0.00 174.94 173.50 1b3k s LEU 224 N 1.32 3.02 -0.05 2.97 1.43 -0.04 -1.73 118.68 125.59 1b3k s LEU 224 Ca 0.05 -0.97 -0.01 0.00 -1.03 0.00 0.00 54.13 52.18 1b3k s LEU 224 Cb -0.13 -1.40 0.03 0.00 0.03 0.00 0.00 46.19 44.71 1b3k s LEU 224 CO -0.11 -0.25 0.00 -0.70 0.23 0.00 0.00 176.35 175.52 1b3k s GLU 225 N -3.73 0.50 -0.34 1.70 2.12 -1.03 -1.95 118.70 115.97 1b3k s GLU 225 Ca 0.35 0.10 -0.04 0.00 0.36 0.00 0.00 54.97 55.75 1b3k s GLU 225 Cb -0.00 -0.80 0.06 0.00 0.26 0.00 0.00 34.13 33.65 1b3k s GLU 225 CO 0.20 -0.24 0.09 -0.51 -0.54 0.00 0.00 175.26 174.26 1b3k s LEU 226 N 1.63 4.41 0.17 2.70 1.43 0.27 -4.16 118.68 125.13 1b3k s LEU 226 Ca -0.01 -1.44 -0.30 0.00 -1.03 0.00 0.00 54.13 51.36 1b3k s LEU 226 Cb -0.13 -1.80 -0.08 0.00 0.03 0.00 0.00 46.19 44.22 1b3k s LEU 226 CO -0.03 -0.36 1.20 -2.16 0.23 0.00 0.00 176.35 175.23 1b3k s PRO 227 N 1.27 4.48 0.47 1.29 0.04 -1.26 -0.51 135.00 140.77 1b3k s PRO 227 Ca -0.01 1.87 -0.03 0.00 0.04 0.00 0.00 61.00 62.87 1b3k s PRO 227 Cb -0.21 -3.25 -0.02 0.00 0.04 0.00 0.00 34.50 31.06 1b3k s PRO 227 CO -0.01 -0.12 0.73 0.71 0.04 0.00 0.00 177.00 178.36 1b3k s TYR 228 N 0.09 3.44 0.21 0.56 2.02 0.52 -1.37 117.35 122.82 1b3k s TYR 228 Ca 0.54 0.58 -0.22 0.00 -0.37 0.00 0.00 57.07 57.61 1b3k s TYR 228 Cb -0.32 -2.29 -0.14 0.00 -0.40 0.00 0.00 41.96 38.81 1b3k s TYR 228 CO 0.36 -0.30 0.34 -2.39 -1.57 0.00 0.00 175.55 171.99 1b3k n HIS 229 N -2.18 -0.73 -1.32 2.71 1.44 0.22 -1.20 115.22 114.15 1b3k n HIS 229 Ca 0.00 0.73 -0.11 0.00 -2.01 0.00 0.00 57.72 56.33 1b3k n HIS 229 Cb 0.56 -1.58 -0.05 0.00 0.12 0.00 0.00 29.99 29.05 1b3k n HIS 229 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1b3k n GLY 230 N 1.72 1.10 2.03 -1.39 0.00 -1.26 -3.02 105.19 104.36 1b3k n GLY 230 Ca 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 1b3k n GLY 230 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b3k n ASP 231 N -1.02 -2.38 0.45 1.61 9.92 -0.34 -4.78 116.55 120.02 1b3k n ASP 231 Ca -0.11 0.11 -0.18 0.00 -0.53 0.00 0.00 54.79 54.08 1b3k n ASP 231 Cb 0.56 -2.03 -0.08 0.00 -0.64 0.00 0.00 41.12 38.92 1b3k n ASP 231 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1b3k h THR 232 N 0.00 0.00 -2.90 -3.53 2.02 -1.68 -3.45 112.91 103.38 1b3k h THR 232 Ca -0.09 -0.01 -0.60 0.00 0.77 0.00 0.00 66.41 66.48 1b3k h THR 232 Cb 0.49 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.83 1b3k h THR 232 CO 0.13 0.00 -0.57 -0.76 0.37 0.00 0.00 175.52 174.69 1b3k s LEU 233 N -9.11 3.85 -0.00 2.58 1.43 -1.26 -2.20 118.68 113.97 1b3k s LEU 233 Ca -0.17 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 1b3k s LEU 233 Cb 0.02 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.75 1b3k s LEU 233 CO 0.51 0.11 -0.07 -0.44 0.23 0.00 0.00 176.35 176.69 1b3k s SER 234 N -2.80 0.79 -0.28 2.29 0.01 -1.04 -0.35 113.70 112.31 1b3k s SER 234 Ca 0.31 -0.13 -0.10 0.00 1.31 0.00 0.00 55.95 57.34 1b3k s SER 234 Cb -0.11 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.00 1b3k s SER 234 CO 0.23 0.08 0.16 -0.32 0.41 0.00 0.00 173.24 173.80 1b3k s MET 235 N -0.18 3.72 -0.17 12.44 1.75 0.33 -1.70 119.30 135.48 1b3k s MET 235 Ca 0.02 -0.46 -0.06 0.00 -1.25 0.00 0.00 55.69 53.94 1b3k s MET 235 Cb -0.03 -3.57 -0.04 0.00 2.84 0.00 0.00 34.83 34.04 1b3k s MET 235 CO -0.00 -0.25 0.02 -0.06 -0.65 0.00 0.00 175.02 174.08 1b3k s PHE 236 N 1.69 3.16 -0.11 4.11 0.40 0.88 0.94 117.98 129.05 1b3k s PHE 236 Ca 0.06 -0.07 0.03 0.00 -0.60 0.00 0.00 56.93 56.36 1b3k s PHE 236 Cb -0.16 -2.02 0.01 0.00 0.51 0.00 0.00 43.02 41.36 1b3k s PHE 236 CO 0.08 0.10 -0.22 0.42 0.70 0.00 0.00 175.22 176.30 1b3k s ILE 237 N 0.30 1.99 -0.08 0.64 1.01 -0.82 -0.84 121.20 123.40 1b3k s ILE 237 Ca 0.01 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.72 1b3k s ILE 237 Cb -0.13 -1.74 0.01 0.00 0.01 0.00 0.00 42.46 40.62 1b3k s ILE 237 CO 0.01 0.54 -0.13 0.00 0.00 0.00 0.00 174.94 175.36 1b3k s ALA 238 N 0.56 1.42 -0.06 9.38 0.00 0.41 -0.86 121.76 132.60 1b3k s ALA 238 Ca -0.14 -0.53 -0.07 0.00 0.00 0.00 0.00 51.96 51.22 1b3k s ALA 238 Cb -0.17 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.29 1b3k s ALA 238 CO 0.04 0.02 0.20 0.00 0.00 0.00 0.00 175.76 176.02 1b3k s ALA 239 N 0.84 -0.48 0.85 0.00 0.00 -0.68 -0.62 121.76 121.67 1b3k s ALA 239 Ca -0.11 0.47 -0.11 0.00 0.00 0.00 0.00 51.96 52.21 1b3k s ALA 239 Cb -0.15 -0.26 0.11 0.00 0.00 0.00 0.00 23.12 22.81 1b3k s ALA 239 CO 0.01 -0.11 1.13 -1.25 0.00 0.00 0.00 175.76 175.54 1b3k s PRO 240 N -0.13 1.53 0.00 0.00 0.04 -1.26 0.34 135.00 135.52 1b3k s PRO 240 Ca -0.02 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1b3k s PRO 240 Cb -0.02 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1b3k s PRO 240 CO 0.01 -2.23 0.53 0.66 0.04 0.00 0.00 177.00 176.01 1b3k n TYR 241 N -3.85 0.00 -1.37 0.56 4.02 -0.74 -4.75 117.16 111.02 1b3k n TYR 241 Ca 0.11 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.70 1b3k n TYR 241 Cb 0.52 -0.49 0.24 0.00 -0.02 0.00 0.00 39.34 39.59 1b3k n TYR 241 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1b3k s GLU 242 N -2.06 -0.93 0.00 -0.72 0.41 -1.26 -5.09 118.70 109.05 1b3k s GLU 242 Ca 0.00 -0.33 0.00 0.00 -0.41 0.00 0.00 54.97 54.23 1b3k s GLU 242 Cb 0.00 -1.65 0.00 0.00 -1.78 0.00 0.00 34.13 30.70 1b3k s GLU 242 CO 0.00 -3.47 0.00 1.63 -0.49 0.00 0.00 175.26 172.93 1b3k n LYS 243 N -4.54 2.77 0.00 1.61 5.02 -1.26 -4.51 118.16 117.26 1b3k n LYS 243 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1b3k n LYS 243 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 1b3k n LYS 243 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1b3k n GLU 244 N 0.00 0.00 -0.84 1.97 -0.58 -1.26 -4.81 120.64 115.13 1b3k n GLU 244 Ca 0.00 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 1b3k n GLU 244 Cb 0.00 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 30.79 1b3k n GLU 244 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1b3k n VAL 245 N 0.00 0.00 -1.69 2.62 0.31 -1.26 -4.77 118.33 113.54 1b3k n VAL 245 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 1b3k n VAL 245 Cb 0.00 -0.33 -0.03 0.00 -0.91 0.00 0.00 33.84 32.57 1b3k n VAL 245 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1b3k n PRO 246 N 4.98 2.79 0.21 5.55 -0.02 -1.26 -4.78 135.00 142.46 1b3k n PRO 246 Ca 0.37 1.02 0.14 0.00 -2.02 0.00 0.00 63.50 63.01 1b3k n PRO 246 Cb -0.02 -2.91 0.74 0.00 -0.02 0.00 0.00 33.50 31.28 1b3k n PRO 246 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1b3k h LEU 247 N 8.63 0.00 0.18 2.45 5.85 -1.92 -2.53 115.31 127.97 1b3k h LEU 247 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1b3k h LEU 247 Cb 1.22 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 1b3k h LEU 247 CO 0.95 0.00 -0.44 -1.28 -0.34 0.00 0.00 178.44 177.33 1b3k h SER 248 N 0.00 -1.29 -0.50 1.25 0.87 -1.98 -3.19 113.55 108.71 1b3k h SER 248 Ca 0.00 0.13 0.11 0.00 -1.23 0.00 0.00 61.79 60.80 1b3k h SER 248 Cb 0.04 0.46 -0.09 0.00 -0.44 0.00 0.00 62.40 62.37 1b3k h SER 248 CO 0.00 -0.49 -0.08 0.00 -0.53 0.00 0.00 176.83 175.72 1b3k n ALA 249 N -2.82 0.16 0.13 6.23 0.00 -0.95 -1.54 120.51 121.72 1b3k n ALA 249 Ca -0.08 0.55 -0.05 0.00 0.00 0.00 0.00 53.44 53.86 1b3k n ALA 249 Cb 0.36 -0.35 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1b3k n ALA 249 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1b3k h LEU 250 N 0.00 -0.28 -0.80 0.00 5.85 -1.77 -3.20 115.31 115.10 1b3k h LEU 250 Ca 0.26 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1b3k h LEU 250 Cb 0.44 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1b3k h LEU 250 CO -0.50 -0.18 0.69 0.71 -0.34 0.00 0.00 178.44 178.82 1b3k h THR 251 N -0.39 0.00 -0.00 1.05 1.35 -1.39 -0.82 112.91 112.72 1b3k h THR 251 Ca -0.03 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 65.65 1b3k h THR 251 Cb 0.26 0.27 -0.02 0.00 -1.73 0.00 0.00 68.15 66.93 1b3k h THR 251 CO 0.06 0.00 -0.82 0.78 -0.25 0.00 0.00 175.52 175.28 1b3k h ASN 252 N 0.00 0.15 -0.05 5.36 2.35 -1.49 -3.20 115.58 118.69 1b3k h ASN 252 Ca 0.00 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 1b3k h ASN 252 Cb 1.38 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.70 1b3k h ASN 252 CO 0.00 0.90 -0.09 2.30 -1.65 0.00 0.00 177.43 178.89 1b3k n ILE 253 N -3.65 2.03 -2.37 2.81 -6.64 -0.38 -5.00 119.36 106.17 1b3k n ILE 253 Ca -0.02 -2.41 -0.43 0.00 -1.77 0.00 0.00 62.75 58.12 1b3k n ILE 253 Cb 0.77 -0.25 -0.02 0.00 -1.44 0.00 0.00 39.64 38.71 1b3k n ILE 253 CO 0.00 0.00 0.00 -0.22 -1.77 0.00 0.00 176.55 174.56 1b3k s LEU 254 N -2.95 4.02 0.18 7.28 2.96 -0.81 -4.87 118.68 124.49 1b3k s LEU 254 Ca 0.35 1.49 0.01 0.00 -0.22 0.00 0.00 54.13 55.76 1b3k s LEU 254 Cb 0.31 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.42 1b3k s LEU 254 CO 0.02 -0.97 0.02 -0.44 -1.32 0.00 0.00 176.35 173.66 1b3k s SER 255 N 2.65 1.13 0.48 3.68 0.01 -1.26 -4.86 113.70 115.52 1b3k s SER 255 Ca 0.58 -1.20 0.14 0.00 1.31 0.00 0.00 55.95 56.78 1b3k s SER 255 Cb -0.20 0.14 1.13 0.00 0.21 0.00 0.00 66.02 67.29 1b3k s SER 255 CO 0.21 -0.60 2.09 0.00 0.41 0.00 0.00 173.24 175.35 1b3k h ALA 256 N 2.68 1.96 0.21 1.44 0.00 -1.91 -1.85 119.26 121.79 1b3k h ALA 256 Ca -0.37 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1b3k h ALA 256 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1b3k h ALA 256 CO 0.62 0.00 -0.10 0.37 0.00 0.00 0.00 179.25 180.15 1b3k h GLN 257 N 0.22 -0.27 -0.90 0.00 5.75 -1.95 -3.25 115.11 114.72 1b3k h GLN 257 Ca 0.10 0.02 0.18 0.00 -0.15 0.00 0.00 58.65 58.80 1b3k h GLN 257 Cb 0.14 0.06 -0.17 0.00 1.07 0.00 0.00 27.48 28.58 1b3k h GLN 257 CO -0.02 0.11 -0.24 1.25 -2.65 0.00 0.00 178.83 177.28 1b3k h LEU 258 N -0.73 -0.88 -0.20 -2.39 5.85 -1.68 0.20 115.31 115.48 1b3k h LEU 258 Ca -0.03 0.27 0.04 0.00 0.84 0.00 0.00 57.88 59.00 1b3k h LEU 258 Cb 0.50 0.57 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 1b3k h LEU 258 CO 0.05 -0.30 -0.06 0.40 -0.34 0.00 0.00 178.44 178.19 1b3k h ILE 259 N -0.00 0.78 -0.00 4.05 2.04 -1.60 0.20 117.51 122.98 1b3k h ILE 259 Ca 0.42 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.28 1b3k h ILE 259 Cb 0.65 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1b3k h ILE 259 CO -0.92 0.00 0.01 0.28 0.00 0.00 0.00 178.15 177.52 1b3k h SER 260 N -0.01 0.00 0.31 1.72 0.02 -0.70 0.51 113.55 115.40 1b3k h SER 260 Ca 0.10 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.72 1b3k h SER 260 Cb 0.16 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.71 1b3k h SER 260 CO -0.21 0.00 -1.60 -0.74 -1.14 0.00 0.00 176.83 173.14 1b3k h HIS 261 N 0.00 0.68 0.16 3.45 -0.00 0.57 -2.15 115.15 117.86 1b3k h HIS 261 Ca 0.00 -0.50 -0.01 0.00 -0.00 0.00 0.00 60.37 59.87 1b3k h HIS 261 Cb 0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1b3k h HIS 261 CO 0.00 1.54 -0.08 -1.49 -0.00 0.00 0.00 177.93 177.90 1b3k h TRP 262 N 0.10 -0.20 0.00 5.26 6.55 0.72 0.19 115.95 128.57 1b3k h TRP 262 Ca -0.28 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.55 1b3k h TRP 262 Cb 2.08 0.07 0.00 0.00 -0.86 0.00 0.00 29.16 30.45 1b3k h TRP 262 CO 0.09 0.01 0.06 1.17 -1.05 0.00 0.00 178.44 178.73 1b3k n LYS 263 N -5.11 0.06 0.00 0.49 4.81 0.01 -2.72 118.16 115.70 1b3k n LYS 263 Ca -0.09 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 1b3k n LYS 263 Cb 0.17 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.45 1b3k n LYS 263 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1b3k n GLY 264 N -1.37 -1.94 2.34 3.14 0.00 0.64 -4.17 105.19 103.83 1b3k n GLY 264 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1b3k n GLY 264 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b3k n ASN 265 N -1.71 7.66 -4.90 1.61 6.94 -1.10 -4.99 115.26 118.77 1b3k n ASN 265 Ca 0.00 -3.76 -0.28 0.00 -0.02 0.00 0.00 54.58 50.51 1b3k n ASN 265 Cb 0.00 -0.99 0.01 0.00 -2.36 0.00 0.00 39.78 36.45 1b3k n ASN 265 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1b3k s MET 266 N -3.76 3.32 -0.17 -3.83 -1.94 -1.20 -4.79 119.30 106.92 1b3k s MET 266 Ca 0.63 0.27 -0.08 0.00 -1.71 0.00 0.00 55.69 54.80 1b3k s MET 266 Cb 0.50 -2.26 0.07 0.00 2.01 0.00 0.00 34.83 35.15 1b3k s MET 266 CO -0.03 -0.49 0.38 0.95 -0.01 0.00 0.00 175.02 175.83 1b3k s THR 267 N -2.95 -0.28 -0.01 2.05 -4.23 0.57 -4.86 115.64 105.93 1b3k s THR 267 Ca 0.52 0.15 -0.33 0.00 -1.18 0.00 0.00 61.69 60.84 1b3k s THR 267 Cb -0.11 -0.59 -0.11 0.00 1.34 0.00 0.00 72.50 73.03 1b3k s THR 267 CO 0.47 0.06 1.87 0.54 -0.54 0.00 0.00 174.62 177.03 1b3k n ARG 268 N 4.76 2.42 -3.98 3.99 1.74 -1.26 -1.66 116.66 122.67 1b3k n ARG 268 Ca -0.17 0.88 -0.12 0.00 -0.77 0.00 0.00 57.85 57.68 1b3k n ARG 268 Cb 0.52 -2.76 -0.13 0.00 -1.02 0.00 0.00 32.46 29.08 1b3k n ARG 268 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1b3k s LEU 269 N 3.73 2.08 0.04 0.55 1.43 -0.44 -4.89 118.68 121.19 1b3k s LEU 269 Ca 0.89 -0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 53.50 1b3k s LEU 269 Cb -0.60 -0.06 -0.07 0.00 0.03 0.00 0.00 46.19 45.49 1b3k s LEU 269 CO 0.46 -0.07 1.50 -2.16 0.23 0.00 0.00 176.35 176.31 1b3k s PRO 270 N -0.53 4.25 0.08 1.29 0.04 -1.26 -1.46 135.00 137.42 1b3k s PRO 270 Ca -0.04 2.12 -0.26 0.00 0.04 0.00 0.00 61.00 62.86 1b3k s PRO 270 Cb -0.04 -3.54 0.08 0.00 0.04 0.00 0.00 34.50 31.04 1b3k s PRO 270 CO -0.00 -0.62 0.69 1.03 0.04 0.00 0.00 177.00 178.14 1b3k s ARG 271 N 2.33 1.12 -0.40 4.56 0.52 -0.61 -4.20 118.95 122.27 1b3k s ARG 271 Ca 0.68 -0.28 -0.17 0.00 -0.52 0.00 0.00 55.73 55.43 1b3k s ARG 271 Cb -0.35 0.52 0.01 0.00 0.52 0.00 0.00 34.95 35.65 1b3k s ARG 271 CO 0.29 -0.46 0.46 -1.17 0.02 0.00 0.00 175.30 174.44 1b3k s LEU 272 N -2.35 4.67 -0.24 2.53 2.96 -1.12 -1.96 118.68 123.18 1b3k s LEU 272 Ca -0.00 -0.46 -0.15 0.00 -0.22 0.00 0.00 54.13 53.29 1b3k s LEU 272 Cb -0.01 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 1b3k s LEU 272 CO -0.08 -0.55 0.38 -0.22 -1.32 0.00 0.00 176.35 174.57 1b3k s LEU 273 N 2.24 4.10 -0.30 -0.68 2.96 0.81 -0.64 118.68 127.16 1b3k s LEU 273 Ca 0.14 0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 54.43 1b3k s LEU 273 Cb -0.16 -2.46 0.05 0.00 0.50 0.00 0.00 46.19 44.11 1b3k s LEU 273 CO 0.14 -0.13 0.01 -0.69 -1.32 0.00 0.00 176.35 174.36 1b3k s VAL 274 N 1.68 3.09 -0.14 1.68 1.01 -0.54 -1.32 120.40 125.86 1b3k s VAL 274 Ca 0.17 -1.31 -0.00 0.00 0.00 0.00 0.00 61.98 60.83 1b3k s VAL 274 Cb -0.15 -2.75 0.03 0.00 0.00 0.00 0.00 36.38 33.51 1b3k s VAL 274 CO 0.09 -0.09 -0.07 -0.22 0.00 0.00 0.00 175.10 174.81 1b3k s LEU 275 N 1.28 1.46 0.36 3.92 2.96 -0.02 -1.31 118.68 127.33 1b3k s LEU 275 Ca -0.04 -0.50 -0.28 0.00 -0.22 0.00 0.00 54.13 53.08 1b3k s LEU 275 Cb -0.19 -0.92 -0.12 0.00 0.50 0.00 0.00 46.19 45.46 1b3k s LEU 275 CO -0.01 -0.14 1.40 -0.81 -1.32 0.00 0.00 176.35 175.47 1b3k n PRO 276 N 4.89 2.43 -2.41 0.98 -0.04 -1.26 -2.19 135.00 137.39 1b3k n PRO 276 Ca -0.13 0.85 -0.34 0.00 -0.04 0.00 0.00 63.50 63.85 1b3k n PRO 276 Cb 0.49 -2.52 -0.02 0.00 -0.04 0.00 0.00 33.50 31.41 1b3k n PRO 276 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1b3k s LYS 277 N -1.95 3.66 -0.28 0.54 1.02 -1.02 -4.82 119.74 116.89 1b3k s LYS 277 Ca 0.55 1.34 -0.18 0.00 0.02 0.00 0.00 55.97 57.70 1b3k s LYS 277 Cb -0.52 -2.07 0.11 0.00 -0.52 0.00 0.00 37.83 34.83 1b3k s LYS 277 CO 0.63 -0.54 0.85 -0.59 -0.92 0.00 0.00 175.35 174.77 1b3k s PHE 278 N -2.07 -0.77 -0.27 3.18 -0.12 -0.83 -4.86 117.98 112.24 1b3k s PHE 278 Ca 0.67 1.61 0.01 0.00 -0.05 0.00 0.00 56.93 59.17 1b3k s PHE 278 Cb -0.17 0.45 0.07 0.00 -0.63 0.00 0.00 43.02 42.75 1b3k s PHE 278 CO 0.24 -0.38 -0.02 -1.12 -0.05 0.00 0.00 175.22 173.89 1b3k s SER 279 N 1.20 4.12 0.27 1.98 0.01 -1.26 -1.35 113.70 118.68 1b3k s SER 279 Ca -0.07 -1.44 0.09 0.00 1.31 0.00 0.00 55.95 55.84 1b3k s SER 279 Cb -0.04 -1.27 -0.04 0.00 0.21 0.00 0.00 66.02 64.87 1b3k s SER 279 CO -0.14 -0.28 0.06 -0.76 0.41 0.00 0.00 173.24 172.54 1b3k s LEU 280 N 1.29 3.34 -0.01 2.44 1.43 -0.20 -4.96 118.68 122.01 1b3k s LEU 280 Ca -0.01 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 1b3k s LEU 280 Cb -0.19 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.18 1b3k s LEU 280 CO -0.09 -0.06 0.01 -0.70 0.23 0.00 0.00 176.35 175.74 1b3k s GLU 281 N -3.74 0.03 -0.03 1.70 2.12 -1.26 -0.94 118.70 116.58 1b3k s GLU 281 Ca 0.33 0.05 -0.05 0.00 0.36 0.00 0.00 54.97 55.66 1b3k s GLU 281 Cb -0.06 -0.13 0.01 0.00 0.26 0.00 0.00 34.13 34.21 1b3k s GLU 281 CO 0.21 -0.05 0.12 0.99 -0.54 0.00 0.00 175.26 175.99 1b3k s THR 282 N 0.38 0.04 -0.12 -1.70 2.01 -0.88 -4.79 115.64 110.58 1b3k s THR 282 Ca -0.03 -0.29 -0.04 0.00 0.31 0.00 0.00 61.69 61.64 1b3k s THR 282 Cb -0.05 -0.28 0.05 0.00 0.01 0.00 0.00 72.50 72.23 1b3k s THR 282 CO -0.01 -0.16 0.08 -0.70 -0.69 0.00 0.00 174.62 173.14 1b3k s GLU 283 N -0.51 0.00 0.00 4.92 2.12 -1.26 -0.53 118.70 123.45 1b3k s GLU 283 Ca -0.06 0.12 0.03 0.00 0.36 0.00 0.00 54.97 55.42 1b3k s GLU 283 Cb -0.04 -1.26 -0.03 0.00 0.26 0.00 0.00 34.13 33.05 1b3k s GLU 283 CO 0.01 -0.53 -0.06 0.14 -0.54 0.00 0.00 175.26 174.28 1b3k s VAL 284 N 2.15 3.73 -0.92 3.70 -7.23 -0.28 -4.98 120.40 116.57 1b3k s VAL 284 Ca 0.03 -0.74 -0.15 0.00 -1.81 0.00 0.00 61.98 59.32 1b3k s VAL 284 Cb -0.14 -2.63 0.20 0.00 0.56 0.00 0.00 36.38 34.37 1b3k s VAL 284 CO -0.06 0.40 0.97 -0.62 -0.31 0.00 0.00 175.10 175.47 1b3k s ASP 285 N -1.42 6.83 0.00 4.85 2.15 -1.26 -2.35 116.67 125.46 1b3k s ASP 285 Ca 0.17 -2.66 0.00 0.00 0.43 0.00 0.00 52.55 50.50 1b3k s ASP 285 Cb -0.11 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 1b3k s ASP 285 CO 0.08 -0.69 0.26 0.18 -0.17 0.00 0.00 175.17 174.83 1b3k n LEU 286 N 4.65 0.00 0.34 -1.34 4.77 -0.89 -3.65 117.00 120.88 1b3k n LEU 286 Ca 0.20 0.03 -0.17 0.00 -0.03 0.00 0.00 56.01 56.04 1b3k n LEU 286 Cb 0.46 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 1b3k n LEU 286 CO 0.42 -0.03 0.53 -0.09 -1.33 0.00 0.00 177.39 176.88 1b3k h ARG 287 N 0.00 -0.96 -0.20 3.23 1.12 -1.91 -0.70 114.38 114.97 1b3k h ARG 287 Ca 0.00 0.07 -0.06 0.00 -1.11 0.00 0.00 59.98 58.88 1b3k h ARG 287 Cb 0.23 0.22 -0.00 0.00 -0.01 0.00 0.00 29.97 30.40 1b3k h ARG 287 CO 0.00 -0.64 -0.10 -0.22 -3.11 0.00 0.00 179.97 175.90 1b3k h LYS 288 N -1.00 0.41 -1.01 0.20 3.64 -1.98 -2.29 116.57 114.55 1b3k h LYS 288 Ca -0.08 -0.18 0.17 0.00 -1.27 0.00 0.00 60.65 59.28 1b3k h LYS 288 Cb 0.83 -0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.54 1b3k h LYS 288 CO 0.03 0.71 0.62 -1.35 -2.27 0.00 0.00 179.45 177.20 1b3k h PRO 289 N 0.10 0.82 -0.05 1.90 0.11 -1.78 -0.25 132.00 132.86 1b3k h PRO 289 Ca 0.04 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 65.93 1b3k h PRO 289 Cb 0.59 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1b3k h PRO 289 CO 0.03 0.54 -0.72 -0.07 -0.21 0.00 0.00 178.00 177.57 1b3k h LEU 290 N 0.85 0.32 -0.63 2.35 3.38 -1.03 -3.07 115.31 117.47 1b3k h LEU 290 Ca 0.55 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 58.21 1b3k h LEU 290 Cb 0.76 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1b3k h LEU 290 CO -0.34 0.94 -0.03 -0.33 0.09 0.00 0.00 178.44 178.76 1b3k h GLU 291 N 0.18 1.04 0.00 1.13 5.08 -0.62 -1.88 114.58 119.51 1b3k h GLU 291 Ca -0.02 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1b3k h GLU 291 Cb 1.28 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1b3k h GLU 291 CO 0.11 1.03 -0.01 -0.91 -1.00 0.00 0.00 179.01 178.24 1b3k h ASN 292 N 0.94 0.00 -0.64 1.42 -0.26 -1.01 0.21 115.58 116.24 1b3k h ASN 292 Ca 0.16 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 1b3k h ASN 292 Cb 0.58 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.84 1b3k h ASN 292 CO 0.03 0.01 0.00 0.18 -1.06 0.00 0.00 177.43 176.59 1b3k n LEU 293 N -3.18 4.24 0.00 1.61 4.77 -0.75 -4.95 117.00 118.73 1b3k n LEU 293 Ca -0.02 -2.13 0.00 0.00 -0.03 0.00 0.00 56.01 53.82 1b3k n LEU 293 Cb 0.11 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1b3k n LEU 293 CO 0.22 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 1b3k n GLY 294 N 1.27 3.04 3.57 -0.72 0.00 0.74 -4.72 105.19 108.37 1b3k n GLY 294 Ca 0.24 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 1b3k n GLY 294 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1b3k s MET 295 N 0.00 2.13 -0.08 1.61 -1.94 -0.92 -4.56 119.30 115.54 1b3k s MET 295 Ca 0.00 -0.51 0.08 0.00 -1.71 0.00 0.00 55.69 53.55 1b3k s MET 295 Cb 0.00 -5.07 -0.11 0.00 2.01 0.00 0.00 34.83 31.66 1b3k s MET 295 CO 0.00 -4.15 0.05 0.25 -0.01 0.00 0.00 175.02 171.16 1b3k n THR 296 N 8.20 0.53 -0.35 2.05 -2.24 -1.26 -3.53 114.28 117.69 1b3k n THR 296 Ca 0.43 -0.35 -0.02 0.00 -2.27 0.00 0.00 64.05 61.84 1b3k n THR 296 Cb 0.46 -0.66 0.11 0.00 -2.10 0.00 0.00 70.33 68.14 1b3k n THR 296 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1b3k h ASP 297 N 0.00 1.07 -0.81 3.42 5.19 -1.92 -2.60 116.42 120.77 1b3k h ASP 297 Ca -0.21 -0.02 0.23 0.00 -0.62 0.00 0.00 57.03 56.41 1b3k h ASP 297 Cb 1.42 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 40.64 1b3k h ASP 297 CO 0.01 0.76 0.58 0.00 -3.12 0.00 0.00 179.24 177.47 1b3k h MET 298 N 1.25 0.00 -0.00 3.56 -0.00 -1.88 -0.01 114.93 117.85 1b3k h MET 298 Ca 0.36 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.06 1b3k h MET 298 Cb -0.09 -0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.51 1b3k h MET 298 CO -0.09 0.00 -0.71 1.19 -0.00 0.00 0.00 176.91 177.30 1b3k n PHE 299 N -4.30 0.00 -3.30 -0.10 3.01 -0.98 -0.98 117.46 110.81 1b3k n PHE 299 Ca 0.16 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.24 1b3k n PHE 299 Cb 0.88 -0.13 -0.07 0.00 -0.01 0.00 0.00 39.48 40.15 1b3k n PHE 299 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1b3k s ARG 300 N -2.97 4.16 0.26 -1.08 6.06 -0.06 -4.82 118.95 120.49 1b3k s ARG 300 Ca 0.10 0.31 -0.02 0.00 -2.50 0.00 0.00 55.73 53.62 1b3k s ARG 300 Cb 0.17 -3.57 0.48 0.00 0.06 0.00 0.00 34.95 32.09 1b3k s ARG 300 CO 0.77 -0.14 1.77 0.37 -2.50 0.00 0.00 175.30 175.57 1b3k h GLN 301 N 7.54 0.64 -0.54 5.12 4.15 -1.89 0.19 115.11 130.32 1b3k h GLN 301 Ca -0.34 -0.04 -0.23 0.00 0.77 0.00 0.00 58.65 58.81 1b3k h GLN 301 Cb 1.16 -0.14 -0.14 0.00 0.21 0.00 0.00 27.48 28.56 1b3k h GLN 301 CO 0.72 0.42 0.15 1.19 -1.93 0.00 0.00 178.83 179.39 1b3k n PHE 302 N -4.84 1.72 0.00 3.99 3.72 -1.26 -4.38 117.46 116.40 1b3k n PHE 302 Ca 0.16 -1.47 0.00 0.00 -0.05 0.00 0.00 57.45 56.08 1b3k n PHE 302 Cb 0.38 -0.59 0.00 0.00 -0.94 0.00 0.00 39.48 38.33 1b3k n PHE 302 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1b3k n GLN 303 N -0.87 1.19 -1.70 -1.08 6.02 -0.97 -5.08 117.38 114.89 1b3k n GLN 303 Ca 0.38 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.98 1b3k n GLN 303 Cb 1.21 -0.64 0.04 0.00 1.02 0.00 0.00 30.24 31.86 1b3k n GLN 303 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1b3k n ALA 304 N -0.93 1.19 -3.68 -1.58 0.00 0.64 -4.70 120.51 111.45 1b3k n ALA 304 Ca 0.00 0.14 -0.30 0.00 0.00 0.00 0.00 53.44 53.28 1b3k n ALA 304 Cb 0.14 -2.28 -0.14 0.00 0.00 0.00 0.00 19.45 17.17 1b3k n ALA 304 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1b3k s ASP 305 N -0.89 3.76 -0.33 0.00 -1.08 -1.26 -4.82 116.67 112.05 1b3k s ASP 305 Ca 0.70 -1.95 0.07 0.00 -0.52 0.00 0.00 52.55 50.85 1b3k s ASP 305 Cb -0.44 -0.82 0.47 0.00 -1.46 0.00 0.00 42.92 40.67 1b3k s ASP 305 CO 0.51 -0.36 1.42 0.49 0.52 0.00 0.00 175.17 177.75 1b3k n PHE 306 N 4.42 1.81 0.27 -5.34 3.01 -1.26 -1.28 117.46 119.09 1b3k n PHE 306 Ca 0.02 -2.00 0.18 0.00 1.01 0.00 0.00 57.45 56.66 1b3k n PHE 306 Cb 0.39 -0.54 0.93 0.00 -0.01 0.00 0.00 39.48 40.25 1b3k n PHE 306 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1b3k h THR 307 N 1.40 0.32 0.00 4.37 1.35 -1.78 0.30 112.91 118.87 1b3k h THR 307 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.16 1b3k h THR 307 Cb 1.44 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1b3k h THR 307 CO 0.63 0.00 0.00 0.28 -0.25 0.00 0.00 175.52 176.18 1b3k h SER 308 N 0.00 0.00 0.00 5.36 0.02 -1.83 -3.15 113.55 113.95 1b3k h SER 308 Ca 0.04 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.70 1b3k h SER 308 Cb 0.32 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 1b3k h SER 308 CO -0.00 0.00 -2.00 -0.11 -1.14 0.00 0.00 176.83 173.58 1b3k n LEU 309 N -2.30 1.76 -3.28 5.07 7.94 0.91 -4.75 117.00 122.35 1b3k n LEU 309 Ca 0.03 0.13 -0.08 0.00 -1.11 0.00 0.00 56.01 54.98 1b3k n LEU 309 Cb 0.27 -0.55 -0.04 0.00 0.53 0.00 0.00 43.42 43.63 1b3k n LEU 309 CO 0.22 0.49 -0.04 -0.55 -1.11 0.00 0.00 177.39 176.41 1b3k s SER 310 N -6.35 -0.13 0.00 1.96 0.15 -0.31 -0.52 113.70 108.50 1b3k s SER 310 Ca -0.25 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 55.37 1b3k s SER 310 Cb 0.09 1.25 0.00 0.00 -1.71 0.00 0.00 66.02 65.65 1b3k s SER 310 CO 0.34 -0.24 0.56 -0.90 1.20 0.00 0.00 173.24 174.20 1b3k n ASP 311 N 4.50 1.54 0.00 5.45 5.68 -1.19 -4.44 116.55 128.10 1b3k n ASP 311 Ca 0.09 -1.42 0.00 0.00 -0.50 0.00 0.00 54.79 52.96 1b3k n ASP 311 Cb 0.51 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1b3k n ASP 311 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1b3k n GLN 312 N 0.44 0.00 -1.51 0.11 7.27 -1.26 -5.02 117.38 117.40 1b3k n GLN 312 Ca 0.00 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.68 1b3k n GLN 312 Cb 0.28 0.00 0.03 0.00 2.41 0.00 0.00 30.24 32.96 1b3k n GLN 312 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1b3k n GLU 313 N 0.00 0.69 -1.93 3.69 2.13 -1.26 -4.83 120.64 119.13 1b3k n GLU 313 Ca 0.00 0.26 -0.42 0.00 0.66 0.00 0.00 57.16 57.66 1b3k n GLU 313 Cb 0.00 -1.80 -0.03 0.00 0.27 0.00 0.00 31.44 29.89 1b3k n GLU 313 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1b3k s PRO 314 N -2.11 3.94 0.49 5.31 0.02 -1.26 -4.98 135.00 136.40 1b3k s PRO 314 Ca 0.68 2.09 0.08 0.00 0.02 0.00 0.00 61.00 63.87 1b3k s PRO 314 Cb -0.48 -4.08 0.03 0.00 0.02 0.00 0.00 34.50 30.00 1b3k s PRO 314 CO 0.54 -1.15 0.56 -0.51 -0.33 0.00 0.00 177.00 176.12 1b3k s LEU 315 N 4.95 3.22 0.00 -5.54 1.43 -1.26 -5.08 118.68 116.40 1b3k s LEU 315 Ca 0.79 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1b3k s LEU 315 Cb -0.32 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.02 1b3k s LEU 315 CO 0.32 -1.00 0.00 0.00 0.23 0.00 0.00 176.35 175.91 1b3k n HIS 316 N -1.89 0.00 -1.68 0.29 1.44 -1.26 -4.61 115.22 107.51 1b3k n HIS 316 Ca 0.08 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.37 1b3k n HIS 316 Cb 0.62 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.70 1b3k n HIS 316 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1b3k s VAL 317 N -1.40 3.10 -1.85 0.61 1.01 -0.15 -3.79 120.40 117.92 1b3k s VAL 317 Ca 0.00 0.10 0.27 0.00 0.00 0.00 0.00 61.98 62.35 1b3k s VAL 317 Cb 0.00 -3.15 0.35 0.00 0.00 0.00 0.00 36.38 33.57 1b3k s VAL 317 CO 0.00 -0.11 1.64 0.00 0.00 0.00 0.00 175.10 176.64 1b3k n ALA 318 N 12.08 2.95 0.00 5.51 0.00 0.12 -4.54 120.51 136.63 1b3k n ALA 318 Ca 0.29 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1b3k n ALA 318 Cb 0.47 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1b3k n ALA 318 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1b3k n LEU 319 N -0.57 0.00 -3.92 0.00 7.94 -1.22 -5.02 117.00 114.21 1b3k n LEU 319 Ca 0.14 0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 54.77 1b3k n LEU 319 Cb 0.34 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 44.12 1b3k n LEU 319 CO 0.24 0.00 -0.44 0.00 -1.11 0.00 0.00 177.39 176.08 1b3k s ALA 320 N 0.00 1.31 0.17 1.96 0.00 -1.26 -0.30 121.76 123.64 1b3k s ALA 320 Ca 0.00 -0.52 -0.10 0.00 0.00 0.00 0.00 51.96 51.34 1b3k s ALA 320 Cb 0.00 -0.87 -0.00 0.00 0.00 0.00 0.00 23.12 22.25 1b3k s ALA 320 CO 0.00 -0.35 0.32 -0.48 0.00 0.00 0.00 175.76 175.25 1b3k s LEU 321 N 1.59 0.84 -0.01 0.00 2.34 -0.96 -2.09 118.68 120.39 1b3k s LEU 321 Ca 0.03 -0.79 0.03 0.00 0.06 0.00 0.00 54.13 53.45 1b3k s LEU 321 Cb -0.13 1.34 -0.01 0.00 -0.56 0.00 0.00 46.19 46.84 1b3k s LEU 321 CO -0.07 -0.91 -0.09 -1.58 -1.06 0.00 0.00 176.35 172.64 1b3k s GLN 322 N -3.95 0.80 -0.06 1.48 0.74 -0.99 -1.41 119.66 116.27 1b3k s GLN 322 Ca 0.15 -0.33 0.02 0.00 0.05 0.00 0.00 55.36 55.25 1b3k s GLN 322 Cb 0.03 -0.77 0.01 0.00 1.10 0.00 0.00 33.01 33.38 1b3k s GLN 322 CO -0.01 0.19 -0.11 0.21 -0.55 0.00 0.00 175.29 175.02 1b3k s LYS 323 N -0.15 1.47 -0.05 1.67 2.20 -0.52 -1.12 119.74 123.23 1b3k s LYS 323 Ca 0.03 -0.35 -0.01 0.00 -0.36 0.00 0.00 55.97 55.27 1b3k s LYS 323 Cb -0.04 -1.25 0.03 0.00 -1.51 0.00 0.00 37.83 35.05 1b3k s LYS 323 CO -0.00 0.02 0.03 0.08 -0.36 0.00 0.00 175.35 175.12 1b3k s VAL 324 N 0.65 0.14 -0.28 4.02 1.01 0.31 -1.83 120.40 124.43 1b3k s VAL 324 Ca -0.13 0.25 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 1b3k s VAL 324 Cb -0.15 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 1b3k s VAL 324 CO 0.03 0.21 0.17 -0.54 0.00 0.00 0.00 175.10 174.96 1b3k s LYS 325 N 1.91 3.86 -0.05 2.72 1.02 -0.85 -2.07 119.74 126.28 1b3k s LYS 325 Ca 0.03 -0.37 0.05 0.00 0.02 0.00 0.00 55.97 55.70 1b3k s LYS 325 Cb -0.12 -3.60 -0.02 0.00 -0.52 0.00 0.00 37.83 33.57 1b3k s LYS 325 CO -0.04 -0.20 -0.19 -1.50 -0.92 0.00 0.00 175.35 172.51 1b3k s ILE 326 N 1.73 2.63 -0.05 2.17 1.10 -0.12 -1.13 121.20 127.54 1b3k s ILE 326 Ca 0.07 -0.88 0.01 0.00 -0.51 0.00 0.00 60.65 59.35 1b3k s ILE 326 Cb -0.16 -2.00 0.02 0.00 0.15 0.00 0.00 42.46 40.47 1b3k s ILE 326 CO 0.09 0.58 -0.06 -1.61 -2.11 0.00 0.00 174.94 171.83 1b3k s GLU 327 N -0.52 1.01 -0.18 3.50 2.02 0.54 -1.04 118.70 124.03 1b3k s GLU 327 Ca 0.07 -0.18 0.00 0.00 0.02 0.00 0.00 54.97 54.88 1b3k s GLU 327 Cb -0.11 -0.95 0.04 0.00 0.10 0.00 0.00 34.13 33.21 1b3k s GLU 327 CO 0.01 -0.05 -0.10 0.08 0.02 0.00 0.00 175.26 175.22 1b3k s VAL 328 N 0.81 1.49 0.00 2.63 1.01 -0.45 -4.33 120.40 121.55 1b3k s VAL 328 Ca -0.12 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1b3k s VAL 328 Cb -0.14 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1b3k s VAL 328 CO 0.01 0.24 0.00 -0.46 0.00 0.00 0.00 175.10 174.89 1b3k n ASN 329 N 4.76 0.27 0.03 3.32 6.94 -1.26 -1.97 115.26 127.35 1b3k n ASN 329 Ca -0.15 -0.73 -0.12 0.00 -0.02 0.00 0.00 54.58 53.56 1b3k n ASN 329 Cb 0.48 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.84 1b3k n ASN 329 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1b3k h GLU 330 N 0.00 -0.48 0.00 -3.83 3.07 -1.98 -3.46 114.58 107.90 1b3k h GLU 330 Ca 0.00 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1b3k h GLU 330 Cb 0.00 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1b3k h GLU 330 CO 0.00 -0.32 0.00 -1.13 -1.40 0.00 0.00 179.01 176.16 1b3k n SER 331 N -5.43 0.00 0.00 1.42 3.41 -1.26 -0.59 113.62 111.16 1b3k n SER 331 Ca -0.05 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.67 1b3k n SER 331 Cb 0.35 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 1b3k n SER 331 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b3k n GLY 332 N 4.12 -1.07 0.00 5.00 0.00 -1.26 -4.22 105.19 107.76 1b3k n GLY 332 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1b3k n GLY 332 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b3k n THR 333 N -1.54 0.00 -4.27 2.61 -2.24 -1.26 -4.76 114.28 102.82 1b3k n THR 333 Ca 0.04 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.66 1b3k n THR 333 Cb 0.34 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.48 1b3k n THR 333 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1b3k s VAL 334 N 0.00 0.18 0.09 2.28 -7.23 -1.26 -5.18 120.40 109.29 1b3k s VAL 334 Ca 0.00 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 1b3k s VAL 334 Cb 0.00 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 34.43 1b3k s VAL 334 CO 0.00 0.00 0.13 0.00 -0.31 0.00 0.00 175.10 174.92 1b3k n ALA 335 N -0.44 -0.11 -3.67 1.32 0.00 -1.26 -5.03 120.51 111.32 1b3k n ALA 335 Ca 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 53.44 53.26 1b3k n ALA 335 Cb 0.65 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.09 1b3k n ALA 335 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1b3k s SER 336 N -1.47 -0.15 0.53 0.00 1.04 -1.26 -5.04 113.70 107.35 1b3k s SER 336 Ca 0.07 -0.24 -0.19 0.00 0.48 0.00 0.00 55.95 56.07 1b3k s SER 336 Cb -0.00 0.34 -0.07 0.00 0.10 0.00 0.00 66.02 66.39 1b3k s SER 336 CO 0.05 -0.61 1.07 -0.55 0.98 0.00 0.00 173.24 174.18 1b3k s SER 337 N -2.87 6.03 0.02 7.02 0.15 -1.26 -4.97 113.70 117.82 1b3k s SER 337 Ca 0.12 1.99 0.25 0.00 0.70 0.00 0.00 55.95 59.01 1b3k s SER 337 Cb 0.01 -2.56 0.49 0.00 -1.71 0.00 0.00 66.02 62.25 1b3k s SER 337 CO -0.01 -1.00 1.40 -1.20 1.20 0.00 0.00 173.24 173.63 1b3k n SER 338 N -1.28 0.52 -3.19 5.45 7.64 -1.26 -4.72 113.62 116.78 1b3k n SER 338 Ca 0.10 -0.15 0.01 0.00 1.01 0.00 0.00 58.87 59.83 1b3k n SER 338 Cb 0.52 0.23 -0.02 0.00 -1.01 0.00 0.00 64.21 63.93 1b3k n SER 338 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1b3k s THR 339 N -3.04 -0.91 -0.36 0.44 2.01 -1.26 -5.13 115.64 107.40 1b3k s THR 339 Ca 0.10 -0.08 -0.17 0.00 0.31 0.00 0.00 61.69 61.85 1b3k s THR 339 Cb 0.17 -0.96 -0.00 0.00 0.01 0.00 0.00 72.50 71.71 1b3k s THR 339 CO 0.70 -0.07 0.44 0.00 -0.69 0.00 0.00 174.62 175.00 1b3k s ALA 340 N 2.72 3.48 0.06 7.40 0.00 -1.26 -4.96 121.76 129.19 1b3k s ALA 340 Ca 0.10 -1.15 -0.25 0.00 0.00 0.00 0.00 51.96 50.66 1b3k s ALA 340 Cb -0.10 -2.94 -0.16 0.00 0.00 0.00 0.00 23.12 19.91 1b3k s ALA 340 CO -0.26 -1.20 1.60 0.28 0.00 0.00 0.00 175.76 176.18 1b3k h VAL 341 N 5.60 0.98 -2.12 0.00 2.07 -2.00 -3.45 116.25 117.34 1b3k h VAL 341 Ca -0.28 -0.25 -0.44 0.00 0.82 0.00 0.00 66.70 66.54 1b3k h VAL 341 Cb 1.13 1.14 0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1b3k h VAL 341 CO 0.74 0.06 -0.20 -0.63 0.02 0.00 0.00 177.57 177.56 1b3k s ILE 342 N -5.71 3.57 -0.45 4.57 -1.09 -1.26 -5.07 121.20 115.75 1b3k s ILE 342 Ca -0.14 -0.80 0.05 0.00 -2.23 0.00 0.00 60.65 57.52 1b3k s ILE 342 Cb 0.05 -3.27 0.19 0.00 -1.58 0.00 0.00 42.46 37.85 1b3k s ILE 342 CO 0.65 -0.14 0.76 -0.69 -1.23 0.00 0.00 174.94 174.29 1b3k s VAL 343 N -2.42 -0.86 0.39 2.92 1.01 -1.26 -4.97 120.40 115.21 1b3k s VAL 343 Ca 0.50 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 62.02 1b3k s VAL 343 Cb -0.10 0.00 -0.03 0.00 0.00 0.00 0.00 36.38 36.25 1b3k s VAL 343 CO 0.35 0.00 0.28 -0.44 0.00 0.00 0.00 175.10 175.28 1b3k s SER 344 N 1.25 4.87 -0.30 3.32 0.01 -1.26 -5.10 113.70 116.49 1b3k s SER 344 Ca 0.24 -0.79 -0.30 0.00 1.31 0.00 0.00 55.95 56.41 1b3k s SER 344 Cb 0.00 -0.64 0.20 0.00 0.21 0.00 0.00 66.02 65.79 1b3k s SER 344 CO -0.07 -0.52 1.40 0.00 0.41 0.00 0.00 173.24 174.46 1b3k s ALA 345 N -2.47 -2.15 0.30 1.44 0.00 -1.26 -5.11 121.76 112.51 1b3k s ALA 345 Ca 0.44 1.93 -0.29 0.00 0.00 0.00 0.00 51.96 54.03 1b3k s ALA 345 Cb -0.02 -1.48 -0.11 0.00 0.00 0.00 0.00 23.12 21.51 1b3k s ALA 345 CO 0.25 -0.27 1.45 1.03 0.00 0.00 0.00 175.76 178.23 1b3k s ARG 346 N -1.11 4.23 0.42 0.00 3.00 -1.26 -4.95 118.95 119.28 1b3k s ARG 346 Ca 0.10 2.39 -0.25 0.00 0.00 0.00 0.00 55.73 57.97 1b3k s ARG 346 Cb -0.01 -3.06 -0.08 0.00 0.00 0.00 0.00 34.95 31.80 1b3k s ARG 346 CO -0.08 -0.43 1.19 -1.64 0.00 0.00 0.00 175.30 174.34 1b3k s MET 347 N -1.07 3.92 0.28 3.54 -1.94 -1.26 -4.96 119.30 117.80 1b3k s MET 347 Ca 0.56 1.88 0.12 0.00 -1.71 0.00 0.00 55.69 56.54 1b3k s MET 347 Cb -0.43 -2.59 -0.05 0.00 2.01 0.00 0.00 34.83 33.76 1b3k s MET 347 CO 0.50 -0.44 -0.17 0.00 -0.01 0.00 0.00 175.02 174.90 1b3k s ALA 348 N -1.43 2.81 0.00 3.03 0.00 -1.26 -5.06 121.76 119.85 1b3k s ALA 348 Ca 0.59 -1.84 -0.01 0.00 0.00 0.00 0.00 51.96 50.71 1b3k s ALA 348 Cb -0.31 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 1b3k s ALA 348 CO 0.39 0.28 1.02 -1.00 0.00 0.00 0.00 175.76 176.45 1b3k h PRO 349 N 2.23 -0.03 -6.01 0.00 0.13 -1.97 -3.46 132.00 122.90 1b3k h PRO 349 Ca -0.41 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.17 1b3k h PRO 349 Cb 1.26 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.31 1b3k h PRO 349 CO 0.60 -0.02 -0.52 -1.21 -0.23 0.00 0.00 178.00 176.62 1b3k s GLU 350 N -3.08 2.28 0.04 0.86 0.41 -1.26 -5.06 118.70 112.89 1b3k s GLU 350 Ca -0.01 -1.70 0.03 0.00 -0.41 0.00 0.00 54.97 52.88 1b3k s GLU 350 Cb 0.00 -2.07 -0.02 0.00 -1.78 0.00 0.00 34.13 30.26 1b3k s GLU 350 CO 0.02 0.00 -0.08 -1.83 -0.49 0.00 0.00 175.26 172.87 1b3k s GLU 351 N -3.87 0.57 -0.22 1.61 -1.05 -1.26 -2.77 118.70 111.70 1b3k s GLU 351 Ca 0.39 -0.67 -0.01 0.00 -0.15 0.00 0.00 54.97 54.53 1b3k s GLU 351 Cb 0.00 -0.41 0.02 0.00 -0.44 0.00 0.00 34.13 33.31 1b3k s GLU 351 CO 0.22 0.09 -0.12 0.42 0.95 0.00 0.00 175.26 176.83 1b3k s ILE 352 N -1.11 2.59 -0.35 1.83 1.01 0.19 -4.87 121.20 120.48 1b3k s ILE 352 Ca -0.06 -0.95 -0.08 0.00 0.00 0.00 0.00 60.65 59.56 1b3k s ILE 352 Cb -0.08 -2.23 0.04 0.00 0.01 0.00 0.00 42.46 40.20 1b3k s ILE 352 CO 0.01 0.35 0.14 -0.63 0.00 0.00 0.00 174.94 174.81 1b3k s ILE 353 N 1.32 4.05 -1.27 2.92 -1.09 -1.26 -1.47 121.20 124.40 1b3k s ILE 353 Ca 0.02 -1.05 -0.14 0.00 -2.23 0.00 0.00 60.65 57.25 1b3k s ILE 353 Cb -0.15 -3.29 0.14 0.00 -1.58 0.00 0.00 42.46 37.57 1b3k s ILE 353 CO -0.08 -0.21 1.66 -0.38 -1.23 0.00 0.00 174.94 174.70 1b3k n ILE 354 N 4.87 4.14 -0.21 2.92 2.08 -0.43 -4.68 119.36 128.06 1b3k n ILE 354 Ca -0.12 -4.38 0.07 0.00 0.56 0.00 0.00 62.75 58.87 1b3k n ILE 354 Cb 0.45 -2.43 0.19 0.00 -0.75 0.00 0.00 39.64 37.10 1b3k n ILE 354 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1b3k n ASP 355 N 5.99 3.13 -4.60 4.38 5.68 -1.26 -4.36 116.55 125.51 1b3k n ASP 355 Ca 0.41 -2.00 -0.27 0.00 -0.50 0.00 0.00 54.79 52.43 1b3k n ASP 355 Cb 0.42 -0.28 -0.11 0.00 -1.14 0.00 0.00 41.12 40.01 1b3k n ASP 355 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1b3k s ARG 356 N -1.00 1.92 0.33 0.11 1.70 -1.26 -0.82 118.95 119.93 1b3k s ARG 356 Ca 0.28 -2.07 -0.29 0.00 -0.47 0.00 0.00 55.73 53.19 1b3k s ARG 356 Cb 0.15 -1.63 -0.12 0.00 -0.57 0.00 0.00 34.95 32.77 1b3k s ARG 356 CO 0.19 -0.01 1.39 -2.30 -1.08 0.00 0.00 175.30 173.49 1b3k n PRO 357 N -0.92 2.32 -4.44 3.89 -0.02 -1.26 -4.96 135.00 129.60 1b3k n PRO 357 Ca -0.05 0.82 -0.26 0.00 -2.02 0.00 0.00 63.50 61.98 1b3k n PRO 357 Cb 0.66 -2.47 -0.07 0.00 -0.02 0.00 0.00 33.50 31.60 1b3k n PRO 357 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 1b3k n PHE 358 N 0.79 0.29 -4.82 6.00 1.16 -0.95 -4.74 117.46 115.19 1b3k n PHE 358 Ca 0.05 -2.60 -0.25 0.00 -1.87 0.00 0.00 57.45 52.78 1b3k n PHE 358 Cb 0.36 -0.05 -0.15 0.00 -1.61 0.00 0.00 39.48 38.02 1b3k n PHE 358 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 1b3k s LEU 359 N 0.00 2.00 0.14 5.98 2.96 0.21 -2.14 118.68 127.84 1b3k s LEU 359 Ca 0.18 -0.32 0.06 0.00 -0.22 0.00 0.00 54.13 53.83 1b3k s LEU 359 Cb 0.01 -0.91 -0.04 0.00 0.50 0.00 0.00 46.19 45.75 1b3k s LEU 359 CO 0.12 0.20 -0.14 0.72 -1.32 0.00 0.00 176.35 175.93 1b3k s PHE 360 N -0.29 1.45 -0.14 5.38 -0.12 -0.50 -0.44 117.98 123.31 1b3k s PHE 360 Ca 0.04 -0.59 -0.06 0.00 -0.05 0.00 0.00 56.93 56.27 1b3k s PHE 360 Cb -0.08 -0.74 0.07 0.00 -0.63 0.00 0.00 43.02 41.64 1b3k s PHE 360 CO 0.00 0.18 0.31 0.08 -0.05 0.00 0.00 175.22 175.74 1b3k s VAL 361 N -2.47 -0.34 -0.28 -2.49 1.01 -0.02 -2.23 120.40 113.58 1b3k s VAL 361 Ca 0.13 0.21 -0.09 0.00 0.00 0.00 0.00 61.98 62.23 1b3k s VAL 361 Cb -0.03 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 1b3k s VAL 361 CO 0.03 0.09 0.13 -0.69 0.00 0.00 0.00 175.10 174.66 1b3k s VAL 362 N 2.10 4.58 0.11 2.92 1.01 0.18 -0.09 120.40 131.22 1b3k s VAL 362 Ca -0.03 -0.26 0.09 0.00 0.00 0.00 0.00 61.98 61.78 1b3k s VAL 362 Cb -0.11 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1b3k s VAL 362 CO -0.10 0.19 -0.23 0.00 0.00 0.00 0.00 175.10 174.95 1b3k s ARG 363 N 1.63 1.24 -0.92 2.72 1.70 -0.69 -0.75 118.95 123.88 1b3k s ARG 363 Ca 0.05 -1.23 -0.21 0.00 -0.47 0.00 0.00 55.73 53.87 1b3k s ARG 363 Cb -0.16 -1.59 0.09 0.00 -0.57 0.00 0.00 34.95 32.72 1b3k s ARG 363 CO 0.06 0.37 1.24 -1.58 -1.08 0.00 0.00 175.30 174.31 1b3k s HIS 364 N -1.12 2.79 0.37 5.89 5.65 0.69 -2.49 115.29 127.08 1b3k s HIS 364 Ca 0.09 -1.00 0.20 0.00 0.25 0.00 0.00 55.06 54.60 1b3k s HIS 364 Cb -0.10 -4.46 1.22 0.00 -1.18 0.00 0.00 32.58 28.06 1b3k s HIS 364 CO 0.05 -1.71 1.64 -0.91 -0.65 0.00 0.00 174.74 173.16 1b3k h ASN 365 N 9.36 0.41 0.53 9.88 -0.26 -1.72 0.70 115.58 134.47 1b3k h ASN 365 Ca 0.09 0.19 -0.02 0.00 -0.56 0.00 0.00 56.30 56.00 1b3k h ASN 365 Cb 1.03 0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 38.44 1b3k h ASN 365 CO 1.25 -0.19 -0.32 -0.65 -1.06 0.00 0.00 177.43 176.45 1b3k h PRO 366 N 0.21 -0.77 0.04 0.81 0.11 -1.89 -3.27 132.00 127.23 1b3k h PRO 366 Ca 0.77 0.05 -0.28 0.00 0.11 0.00 0.00 66.00 66.65 1b3k h PRO 366 Cb 1.99 0.17 -0.03 0.00 0.11 0.00 0.00 31.00 33.24 1b3k h PRO 366 CO -0.58 -0.51 -1.49 1.79 -0.21 0.00 0.00 178.00 177.00 1b3k h THR 367 N -0.80 1.14 0.00 -1.15 1.35 -1.86 -3.48 112.91 108.12 1b3k h THR 367 Ca -0.06 -2.90 0.00 0.00 -0.55 0.00 0.00 66.41 62.90 1b3k h THR 367 Cb 0.65 2.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 1b3k h THR 367 CO 0.07 0.72 0.00 0.61 -0.25 0.00 0.00 175.52 176.67 1b3k n GLY 368 N 1.55 0.30 3.51 5.82 0.00 0.24 -4.79 105.19 111.82 1b3k n GLY 368 Ca -0.13 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.41 1b3k n GLY 368 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1b3k n THR 369 N -1.65 1.51 -3.09 2.61 -1.04 -1.20 -4.58 114.28 106.84 1b3k n THR 369 Ca 0.00 -0.38 -0.44 0.00 -2.04 0.00 0.00 64.05 61.19 1b3k n THR 369 Cb 0.00 -0.49 -0.00 0.00 -1.82 0.00 0.00 70.33 68.02 1b3k n THR 369 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1b3k s VAL 370 N -0.71 5.37 0.12 12.58 1.01 -1.26 -0.22 120.40 137.28 1b3k s VAL 370 Ca 0.68 -2.83 -0.29 0.00 0.00 0.00 0.00 61.98 59.53 1b3k s VAL 370 Cb -0.88 -4.78 -0.07 0.00 0.00 0.00 0.00 36.38 30.64 1b3k s VAL 370 CO 0.56 -1.45 1.59 -0.07 0.00 0.00 0.00 175.10 175.74 1b3k h LEU 371 N 8.66 -1.21 -8.44 3.92 3.38 -1.28 -3.06 115.31 117.28 1b3k h LEU 371 Ca 0.25 0.15 -0.31 0.00 0.09 0.00 0.00 57.88 58.06 1b3k h LEU 371 Cb 0.89 0.48 -0.18 0.00 0.09 0.00 0.00 40.66 41.94 1b3k h LEU 371 CO 1.14 -0.44 -0.73 -0.36 0.09 0.00 0.00 178.44 178.14 1b3k s PHE 372 N -5.92 1.03 0.02 1.13 0.08 -0.69 -3.82 117.98 109.82 1b3k s PHE 372 Ca -0.16 -0.67 -0.18 0.00 0.12 0.00 0.00 56.93 56.05 1b3k s PHE 372 Cb 0.09 -0.57 0.03 0.00 -0.57 0.00 0.00 43.02 42.00 1b3k s PHE 372 CO 0.64 -0.01 0.39 1.41 -0.10 0.00 0.00 175.22 177.55 1b3k s MET 373 N -2.81 0.86 0.00 0.44 -2.45 0.67 -0.65 119.30 115.36 1b3k s MET 373 Ca 0.05 -0.30 0.00 0.00 -1.25 0.00 0.00 55.69 54.19 1b3k s MET 373 Cb -0.03 0.38 0.00 0.00 1.25 0.00 0.00 34.83 36.44 1b3k s MET 373 CO -0.00 -0.28 0.00 0.41 1.05 0.00 0.00 175.02 176.20 1b3k n GLY 374 N 0.72 0.55 3.03 2.11 0.00 -0.95 0.06 105.19 110.71 1b3k n GLY 374 Ca -0.19 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.63 1b3k n GLY 374 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1b3k s GLN 375 N -2.00 1.82 -0.53 1.61 -2.07 -0.43 -1.41 119.66 116.65 1b3k s GLN 375 Ca 0.00 -0.44 -0.17 0.00 -1.82 0.00 0.00 55.36 52.93 1b3k s GLN 375 Cb 0.00 -1.53 0.10 0.00 -1.09 0.00 0.00 33.01 30.49 1b3k s GLN 375 CO 0.00 -0.00 0.52 0.08 -1.32 0.00 0.00 175.29 174.57 1b3k s VAL 376 N 0.78 5.11 -0.37 3.63 1.01 -0.91 -2.23 120.40 127.42 1b3k s VAL 376 Ca -0.12 -1.17 0.23 0.00 0.00 0.00 0.00 61.98 60.92 1b3k s VAL 376 Cb -0.16 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 31.93 1b3k s VAL 376 CO 0.02 -0.83 1.12 0.24 0.00 0.00 0.00 175.10 175.65 1b3k h MET 377 N 8.92 0.00 -0.56 2.72 2.86 -1.84 -2.51 114.93 124.51 1b3k h MET 377 Ca -0.29 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.44 1b3k h MET 377 Cb 1.10 0.00 -0.19 0.00 0.06 0.00 0.00 31.60 32.57 1b3k h MET 377 CO 1.00 0.00 -0.22 -2.00 1.06 0.00 0.00 176.91 176.75 1b3k s GLU 378 N -3.30 0.39 0.00 1.72 2.12 -1.26 -4.59 118.70 113.78 1b3k s GLU 378 Ca 0.02 0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.41 1b3k s GLU 378 Cb 0.11 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.59 1b3k s GLU 378 CO 0.77 -0.63 0.40 -0.35 -0.54 0.00 0.00 175.26 174.91