#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b3k n VAL 8 N 0.00 1.42 -0.02 2.97 0.31 -1.26 -3.72 118.33 118.03 1b3k n VAL 8 Ca 0.00 -0.42 0.06 0.00 -0.01 0.00 0.00 64.34 63.96 1b3k n VAL 8 Cb 0.00 -1.68 0.44 0.00 -0.91 0.00 0.00 33.84 31.69 1b3k n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b3k h ALA 9 N -0.61 1.77 -0.27 3.52 0.00 -1.95 0.41 119.26 122.14 1b3k h ALA 9 Ca -0.62 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.12 1b3k h ALA 9 Cb 1.67 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1b3k h ALA 9 CO -0.29 0.18 -0.42 1.25 0.00 0.00 0.00 179.25 179.97 1b3k h HIS 10 N 0.53 0.80 -0.09 0.00 6.17 -1.88 0.15 115.15 120.83 1b3k h HIS 10 Ca 0.18 -0.24 -0.18 0.00 0.71 0.00 0.00 60.37 60.83 1b3k h HIS 10 Cb 0.06 -0.17 0.01 0.00 2.52 0.00 0.00 27.41 29.84 1b3k h HIS 10 CO -0.00 0.98 -0.65 -0.07 0.71 0.00 0.00 177.93 178.89 1b3k h LEU 11 N 0.54 0.72 -1.01 0.26 3.38 -1.32 -2.88 115.31 115.00 1b3k h LEU 11 Ca 0.04 -0.67 -0.05 0.00 0.09 0.00 0.00 57.88 57.29 1b3k h LEU 11 Cb 0.96 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1b3k h LEU 11 CO 0.09 1.28 0.16 0.00 0.09 0.00 0.00 178.44 180.06 1b3k h ALA 12 N 0.46 1.20 -0.01 1.53 0.00 -0.16 -1.91 119.26 120.38 1b3k h ALA 12 Ca -0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1b3k h ALA 12 Cb 1.30 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1b3k h ALA 12 CO 0.13 0.55 0.00 0.77 0.00 0.00 0.00 179.25 180.71 1b3k h SER 13 N 0.85 0.01 -0.35 0.00 0.02 -0.65 -2.30 113.55 111.12 1b3k h SER 13 Ca 0.19 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1b3k h SER 13 Cb 0.27 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1b3k h SER 13 CO -0.01 0.04 0.16 0.44 -1.14 0.00 0.00 176.83 176.33 1b3k h ASP 14 N -0.03 0.46 -0.88 3.07 3.32 -1.32 -1.77 116.42 119.28 1b3k h ASP 14 Ca 0.00 -0.13 0.16 0.00 0.02 0.00 0.00 57.03 57.08 1b3k h ASP 14 Cb 0.03 -0.12 -0.10 0.00 0.22 0.00 0.00 39.33 39.37 1b3k h ASP 14 CO -0.00 0.47 0.46 0.15 -1.72 0.00 0.00 179.24 178.60 1b3k h PHE 15 N 0.43 0.80 0.00 4.55 3.57 -1.24 0.14 116.94 125.19 1b3k h PHE 15 Ca 0.12 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.54 1b3k h PHE 15 Cb 0.13 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1b3k h PHE 15 CO -0.01 0.17 -0.56 0.78 -2.23 0.00 0.00 178.31 176.46 1b3k h GLY 16 N 0.62 0.00 1.10 2.40 0.00 -1.07 -1.91 103.07 104.21 1b3k h GLY 16 Ca 0.49 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.61 1b3k h GLY 16 CO -0.38 0.00 -0.74 -2.08 0.00 0.00 0.00 176.54 173.34 1b3k h VAL 17 N 0.00 1.30 0.00 4.60 2.07 -0.25 -0.93 116.25 123.03 1b3k h VAL 17 Ca -0.01 -1.97 -0.02 0.00 0.82 0.00 0.00 66.70 65.52 1b3k h VAL 17 Cb 1.08 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1b3k h VAL 17 CO 0.07 0.62 -0.10 -0.09 0.02 0.00 0.00 177.57 178.09 1b3k h ARG 18 N 0.41 0.00 0.03 1.57 2.43 -0.68 0.20 114.38 118.35 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 1.38 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.91 1b3k h ARG 18 CO 0.15 0.10 -1.18 0.28 -1.51 0.00 0.00 179.97 177.82 1b3k h VAL 19 N 0.00 1.52 -0.32 0.20 2.07 -1.16 -3.28 116.25 115.27 1b3k h VAL 19 Ca -0.00 -3.22 -0.14 0.00 0.82 0.00 0.00 66.70 64.16 1b3k h VAL 19 Cb 0.20 2.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.77 1b3k h VAL 19 CO 0.01 0.89 -0.35 0.15 0.02 0.00 0.00 177.57 178.29 1b3k h PHE 20 N 0.02 0.97 -0.91 1.57 3.57 0.45 -2.76 116.94 119.85 1b3k h PHE 20 Ca -0.09 -0.30 0.15 0.00 3.53 0.00 0.00 57.97 61.26 1b3k h PHE 20 Cb 1.86 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 40.32 1b3k h PHE 20 CO 0.02 1.09 0.59 1.96 -2.23 0.00 0.00 178.31 179.73 1b3k h GLN 21 N 0.58 0.69 0.40 1.11 4.20 -0.80 0.50 115.11 121.79 1b3k h GLN 21 Ca 0.05 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1b3k h GLN 21 Cb 0.94 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1b3k h GLN 21 CO 0.09 0.46 -0.19 1.96 -0.67 0.00 0.00 178.83 180.47 1b3k h GLN 22 N 0.71 -0.51 0.00 1.46 1.08 -1.55 0.33 115.11 116.62 1b3k h GLN 22 Ca 0.47 0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.66 1b3k h GLN 22 Cb 0.74 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.28 1b3k h GLN 22 CO -0.23 -0.27 -0.18 -0.39 -0.95 0.00 0.00 178.83 176.81 1b3k h VAL 23 N -0.66 1.08 0.12 -0.54 -1.51 -1.22 -1.28 116.25 112.24 1b3k h VAL 23 Ca -0.05 -0.62 -0.01 0.00 -1.23 0.00 0.00 66.70 64.79 1b3k h VAL 23 Cb 0.48 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 1b3k h VAL 23 CO 0.09 0.18 -0.06 0.00 -1.23 0.00 0.00 177.57 176.55 1b3k h ALA 24 N 1.82 -0.59 0.00 5.19 0.00 -0.73 -2.94 119.26 122.02 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 0.33 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1b3k h ALA 24 CO 0.02 -0.58 0.27 1.04 0.00 0.00 0.00 179.25 180.01 1b3k n GLN 25 N -2.70 0.02 -0.15 0.00 6.02 0.09 0.22 117.38 120.87 1b3k n GLN 25 Ca -0.02 0.33 0.11 0.00 -0.01 0.00 0.00 57.00 57.41 1b3k n GLN 25 Cb 0.06 -1.84 0.19 0.00 1.02 0.00 0.00 30.24 29.67 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 -1.32 2.42 -3.05 -1.58 0.00 -0.49 -4.58 120.51 111.91 1b3k n ALA 26 Ca -0.00 -0.94 -0.16 0.00 0.00 0.00 0.00 53.44 52.33 1b3k n ALA 26 Cb 0.28 -0.83 -0.01 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.40 -4.70 0.00 7.64 0.60 -5.04 113.62 113.14 1b3k n SER 27 Ca 0.18 -3.11 -0.42 0.00 1.01 0.00 0.00 58.87 56.52 1b3k n SER 27 Cb 0.59 0.18 -0.01 0.00 -1.01 0.00 0.00 64.21 63.96 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 0.72 2.11 -3.60 1.43 3.00 -1.24 -2.88 118.16 117.70 1b3k n LYS 28 Ca 0.18 0.74 -0.27 0.00 -0.00 0.00 0.00 58.31 58.97 1b3k n LYS 28 Cb 0.63 -2.32 0.04 0.00 0.00 0.00 0.00 35.03 33.38 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 0.75 -5.65 -3.64 3.14 8.00 -1.26 -5.00 116.55 112.89 1b3k n ASP 29 Ca 0.05 -0.90 -0.07 0.00 0.71 0.00 0.00 54.79 54.58 1b3k n ASP 29 Cb 0.36 -3.58 -0.07 0.00 -0.02 0.00 0.00 41.12 37.81 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 -5.49 0.69 0.20 -1.24 0.52 -1.14 -5.06 118.95 107.43 1b3k s ARG 30 Ca 0.40 1.20 -0.32 0.00 -0.52 0.00 0.00 55.73 56.49 1b3k s ARG 30 Cb -0.13 0.14 -0.12 0.00 0.52 0.00 0.00 34.95 35.36 1b3k s ARG 30 CO 0.84 -0.15 1.72 0.09 0.02 0.00 0.00 175.30 177.83 1b3k n ASN 31 N 4.28 3.96 -3.66 0.23 4.13 -1.26 -4.68 115.26 118.25 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 37.17 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 1.25 -0.54 -0.09 2.41 0.11 -0.85 -5.00 120.40 117.69 1b3k s VAL 32 Ca 0.76 0.14 -0.02 0.00 -2.93 0.00 0.00 61.98 59.93 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 4.19 0.09 2.04 1.01 -1.26 -1.25 120.40 127.59 1b3k s VAL 33 Ca -0.04 -0.29 -0.14 0.00 0.00 0.00 0.00 61.98 61.52 1b3k s VAL 33 Cb -0.11 -2.77 0.02 0.00 0.00 0.00 0.00 36.38 33.53 1b3k s VAL 33 CO -0.13 0.59 0.33 0.12 0.00 0.00 0.00 175.10 176.00 1b3k s PHE 34 N -0.68 -0.10 -0.35 5.22 2.19 0.14 -4.58 117.98 119.81 1b3k s PHE 34 Ca 0.11 -0.17 0.03 0.00 0.33 0.00 0.00 56.93 57.23 1b3k s PHE 34 Cb -0.12 0.14 0.10 0.00 -1.31 0.00 0.00 43.02 41.83 1b3k s PHE 34 CO 0.02 -0.60 0.08 0.45 1.83 0.00 0.00 175.22 177.00 1b3k s SER 35 N -2.55 4.85 0.25 6.13 0.15 -1.26 0.12 113.70 121.39 1b3k s SER 35 Ca 0.01 -2.15 -0.03 0.00 0.70 0.00 0.00 55.95 54.48 1b3k s SER 35 Cb 0.02 -1.66 0.45 0.00 -1.71 0.00 0.00 66.02 63.11 1b3k s SER 35 CO -0.09 -0.41 1.79 -0.65 1.20 0.00 0.00 173.24 175.09 1b3k h PRO 36 N 7.67 0.71 0.08 5.44 0.11 -1.69 -2.04 132.00 142.28 1b3k h PRO 36 Ca -0.06 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 1b3k h PRO 36 Cb 1.02 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1b3k h PRO 36 CO 0.55 0.47 -0.05 -0.92 -0.21 0.00 0.00 178.00 177.84 1b3k h TYR 37 N 0.73 -0.13 0.20 0.65 3.20 -1.64 -2.23 116.97 117.75 1b3k h TYR 37 Ca 0.42 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.30 1b3k h TYR 37 Cb 0.47 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 1b3k h TYR 37 CO -0.07 -0.08 -0.36 0.78 -1.64 0.00 0.00 178.16 176.79 1b3k h GLY 38 N -0.13 -0.75 2.00 1.82 0.00 -1.62 -0.45 103.07 103.94 1b3k h GLY 38 Ca -0.00 0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.74 1b3k h GLY 38 CO 0.00 -0.27 -0.06 -0.24 0.00 0.00 0.00 176.54 175.97 1b3k h VAL 39 N -0.64 0.98 -0.59 4.60 3.04 -1.52 -1.26 116.25 120.86 1b3k h VAL 39 Ca 0.01 -0.21 -0.10 0.00 -1.01 0.00 0.00 66.70 65.39 1b3k h VAL 39 Cb 0.64 1.12 -0.02 0.00 -2.01 0.00 0.00 31.29 31.01 1b3k h VAL 39 CO -0.16 0.06 -0.01 0.00 -1.01 0.00 0.00 177.57 176.45 1b3k h ALA 40 N 1.94 0.80 0.58 3.17 0.00 -0.67 -2.97 119.26 122.11 1b3k h ALA 40 Ca -0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1b3k h ALA 40 Cb 0.11 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1b3k h ALA 40 CO 0.01 0.64 -0.28 1.03 0.00 0.00 0.00 179.25 180.65 1b3k h SER 41 N 0.94 -0.66 -0.74 0.00 0.87 0.07 -2.64 113.55 111.39 1b3k h SER 41 Ca 0.17 0.02 0.16 0.00 -1.23 0.00 0.00 61.79 60.91 1b3k h SER 41 Cb 0.57 0.17 -0.13 0.00 -0.44 0.00 0.00 62.40 62.57 1b3k h SER 41 CO 0.03 -0.29 -0.01 -0.37 -0.53 0.00 0.00 176.83 175.66 1b3k h VAL 42 N -1.15 0.35 0.00 2.23 -1.51 -1.53 0.36 116.25 115.01 1b3k h VAL 42 Ca -0.08 -0.03 -0.05 0.00 -1.23 0.00 0.00 66.70 65.31 1b3k h VAL 42 Cb 0.60 0.25 -0.01 0.00 -2.13 0.00 0.00 31.29 30.00 1b3k h VAL 42 CO 0.13 0.02 -0.22 -0.07 -1.23 0.00 0.00 177.57 176.20 1b3k h LEU 43 N 0.10 0.00 -1.51 4.19 3.38 -1.59 0.12 115.31 119.99 1b3k h LEU 43 Ca 0.40 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.32 1b3k h LEU 43 Cb 0.69 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1b3k h LEU 43 CO -0.66 0.22 -0.24 0.00 0.09 0.00 0.00 178.44 177.85 1b3k h ALA 44 N 1.78 1.31 0.04 1.53 0.00 0.09 -1.05 119.26 122.96 1b3k h ALA 44 Ca -0.00 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 1b3k h ALA 44 Cb 0.51 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1b3k h ALA 44 CO 0.03 0.30 -0.93 0.52 0.00 0.00 0.00 179.25 179.17 1b3k h MET 45 N 0.00 0.08 -0.23 0.00 2.86 -0.83 -3.28 114.93 113.52 1b3k h MET 45 Ca -0.00 -0.14 0.07 0.00 -2.06 0.00 0.00 59.70 57.56 1b3k h MET 45 Cb 0.53 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1b3k h MET 45 CO 0.03 1.07 0.45 1.25 1.06 0.00 0.00 176.91 180.77 1b3k h LEU 46 N -0.77 0.00 -0.45 1.22 5.85 -0.58 0.19 115.31 120.78 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 42.37 1b3k h LEU 46 CO -0.06 0.00 0.25 1.56 -0.34 0.00 0.00 178.44 179.85 1b3k h GLN 47 N 0.00 0.62 -0.05 1.25 4.20 -1.26 -2.51 115.11 117.37 1b3k h GLN 47 Ca 0.11 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 1b3k h GLN 47 Cb 1.02 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 1b3k h GLN 47 CO -0.00 0.48 -0.16 1.25 -0.67 0.00 0.00 178.83 179.73 1b3k h LEU 48 N 0.59 0.07 -0.38 1.46 5.85 -0.76 -2.35 115.31 119.79 1b3k h LEU 48 Ca 0.16 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.71 1b3k h LEU 48 Cb 0.04 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1b3k h LEU 48 CO -0.03 0.24 -0.76 0.71 -0.34 0.00 0.00 178.44 178.27 1b3k h THR 49 N 0.07 1.47 -3.37 1.05 1.35 -1.51 -3.43 112.91 108.55 1b3k h THR 49 Ca 0.01 -2.66 -0.55 0.00 -0.55 0.00 0.00 66.41 62.66 1b3k h THR 49 Cb 0.34 2.46 -0.04 0.00 -1.73 0.00 0.00 68.15 69.18 1b3k h THR 49 CO 0.02 0.74 0.06 0.28 -0.25 0.00 0.00 175.52 176.38 1b3k s THR 50 N -3.16 4.57 0.14 6.82 -1.32 -0.88 -2.56 115.64 119.25 1b3k s THR 50 Ca 0.00 1.43 0.02 0.00 -1.21 0.00 0.00 61.69 61.93 1b3k s THR 50 Cb 0.11 -4.00 -0.04 0.00 -1.51 0.00 0.00 72.50 67.06 1b3k s THR 50 CO 0.78 0.53 -0.04 -0.83 -2.21 0.00 0.00 174.62 172.85 1b3k s GLY 51 N -1.15 1.00 0.00 6.08 0.00 -0.48 -4.68 107.32 108.09 1b3k s GLY 51 Ca 0.32 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.57 1b3k s GLY 51 CO 0.22 -1.51 0.00 0.61 0.00 0.00 0.00 173.10 172.43 1b3k n GLY 52 N -0.15 0.93 0.00 0.20 0.00 -1.26 -3.66 105.19 101.26 1b3k n GLY 52 Ca -0.09 -0.65 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 0.48 120.64 120.56 1b3k n GLU 53 Ca 0.00 0.00 0.15 0.00 -0.42 0.00 0.00 57.16 56.89 1b3k n GLU 53 Cb 0.00 0.00 0.31 0.00 -0.57 0.00 0.00 31.44 31.18 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 0.07 -0.34 2.62 2.02 -1.84 -0.80 112.91 114.63 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 0.03 -0.07 0.00 -1.74 0.00 0.00 68.15 66.37 1b3k h THR 54 CO 0.00 0.01 -0.13 -0.61 0.37 0.00 0.00 175.52 175.15 1b3k h GLN 55 N 0.03 -0.06 -0.59 6.66 4.15 -0.04 -1.86 115.11 123.40 1b3k h GLN 55 Ca 0.61 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 60.02 1b3k h GLN 55 Cb 1.28 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.96 1b3k h GLN 55 CO -0.87 -0.04 0.33 1.96 -1.93 0.00 0.00 178.83 178.28 1b3k h GLN 56 N -0.07 0.81 -0.02 1.69 4.20 -0.89 -1.55 115.11 119.27 1b3k h GLN 56 Ca 0.17 -0.08 0.04 0.00 0.06 0.00 0.00 58.65 58.84 1b3k h GLN 56 Cb 0.33 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 27.89 1b3k h GLN 56 CO -0.39 0.59 -0.30 1.96 -0.67 0.00 0.00 178.83 180.02 1b3k h GLN 57 N 0.82 -0.41 0.04 1.46 4.20 -1.26 0.46 115.11 120.42 1b3k h GLN 57 Ca 0.21 0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.97 1b3k h GLN 57 Cb 0.01 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1b3k h GLN 57 CO -0.04 -0.28 -0.17 0.82 -0.67 0.00 0.00 178.83 178.50 1b3k h ILE 58 N -0.43 0.59 0.32 2.54 2.04 -1.28 -0.62 117.51 120.66 1b3k h ILE 58 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1b3k h ILE 58 Cb 0.53 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1b3k h ILE 58 CO -0.27 0.00 -0.39 1.56 0.00 0.00 0.00 178.15 179.06 1b3k h GLN 59 N -0.30 -0.72 -0.37 2.37 4.20 -0.68 0.21 115.11 119.82 1b3k h GLN 59 Ca 0.04 0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.88 1b3k h GLN 59 Cb 0.35 0.16 -0.08 0.00 0.30 0.00 0.00 27.48 28.21 1b3k h GLN 59 CO -0.14 -0.48 -0.19 0.00 -0.67 0.00 0.00 178.83 177.36 1b3k h ALA 60 N -0.31 0.09 -0.39 3.87 0.00 -0.01 0.49 119.26 123.00 1b3k h ALA 60 Ca -0.02 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1b3k h ALA 60 Cb 0.69 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1b3k h ALA 60 CO -0.11 -0.56 0.26 0.00 0.00 0.00 0.00 179.25 178.85 1b3k h ALA 61 N 1.14 1.95 0.00 0.00 0.00 -0.64 -2.59 119.26 119.12 1b3k h ALA 61 Ca 0.19 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1b3k h ALA 61 Cb 0.41 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1b3k h ALA 61 CO -0.45 -0.02 -1.17 -1.33 0.00 0.00 0.00 179.25 176.28 1b3k n MET 62 N -4.48 0.61 -0.55 0.00 2.81 0.70 -4.85 117.12 111.36 1b3k n MET 62 Ca 0.05 0.14 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 1b3k n MET 62 Cb 0.22 -1.81 0.00 0.00 -0.71 0.00 0.00 33.22 30.92 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 1.25 0.76 3.55 3.03 0.00 0.15 -4.75 105.19 109.19 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 -2.77 -0.53 -0.26 1.61 -0.71 -1.20 -5.03 117.98 109.09 1b3k s PHE 64 Ca 0.00 0.95 -0.14 0.00 -1.04 0.00 0.00 56.93 56.69 1b3k s PHE 64 Cb 0.00 0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 42.19 1b3k s PHE 64 CO 0.00 -0.47 0.35 0.15 -1.34 0.00 0.00 175.22 173.91 1b3k s LYS 65 N -1.03 4.04 0.33 1.99 1.02 -1.26 -4.72 119.74 120.11 1b3k s LYS 65 Ca -0.06 0.02 0.06 0.00 0.02 0.00 0.00 55.97 56.01 1b3k s LYS 65 Cb -0.01 -3.63 0.72 0.00 -0.52 0.00 0.00 37.83 34.40 1b3k s LYS 65 CO 0.05 -0.21 1.86 0.97 -0.92 0.00 0.00 175.35 177.10 1b3k h ILE 66 N 5.31 0.87 0.00 2.17 6.09 -1.97 -1.41 117.51 128.57 1b3k h ILE 66 Ca -0.33 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 62.89 1b3k h ILE 66 Cb 1.16 0.01 0.00 0.00 0.47 0.00 0.00 36.82 38.46 1b3k h ILE 66 CO 0.65 0.15 0.00 -0.67 -3.07 0.00 0.00 178.15 175.20 1b3k n ASP 67 N -4.58 0.00 -4.77 2.19 2.03 -1.26 -3.47 116.55 106.70 1b3k n ASP 67 Ca 0.17 -0.87 -0.39 0.00 0.52 0.00 0.00 54.79 54.23 1b3k n ASP 67 Cb 0.42 -0.01 -0.05 0.00 -0.72 0.00 0.00 41.12 40.75 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 -2.02 7.31 0.19 1.67 1.01 -0.53 -4.94 116.67 119.35 1b3k s ASP 68 Ca 0.42 2.03 -0.33 0.00 0.71 0.00 0.00 52.55 55.39 1b3k s ASP 68 Cb 0.20 -2.60 -0.14 0.00 1.01 0.00 0.00 42.92 41.38 1b3k s ASP 68 CO 0.33 -0.10 1.40 1.17 0.21 0.00 0.00 175.17 178.19 1b3k n LYS 69 N 0.91 1.82 0.00 8.23 3.00 -1.26 -2.46 118.16 128.40 1b3k n LYS 69 Ca 0.00 0.65 0.00 0.00 -0.00 0.00 0.00 58.31 58.97 1b3k n LYS 69 Cb 0.47 -2.31 0.00 0.00 0.00 0.00 0.00 35.03 33.19 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 2.50 3.07 0.06 3.14 0.00 -1.26 -4.94 105.19 107.76 1b3k n GLY 70 Ca 0.14 -0.69 -0.02 0.00 0.00 0.00 0.00 46.02 45.45 1b3k n GLY 70 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1b3k h MET 71 N 0.00 -0.12 -0.49 1.61 2.86 -1.74 -2.28 114.93 114.77 1b3k h MET 71 Ca 0.00 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.74 1b3k h MET 71 Cb 0.00 0.03 -0.10 0.00 0.06 0.00 0.00 31.60 31.59 1b3k h MET 71 CO 0.00 -0.08 -0.31 0.00 1.06 0.00 0.00 176.91 177.58 1b3k h ALA 72 N -1.73 -0.07 -0.60 6.32 0.00 -1.76 -0.13 119.26 121.29 1b3k h ALA 72 Ca -0.01 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1b3k h ALA 72 Cb 0.11 0.71 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1b3k h ALA 72 CO 0.00 -0.67 0.40 -1.00 0.00 0.00 0.00 179.25 177.97 1b3k h PRO 73 N -0.19 0.61 0.15 0.00 0.13 -1.83 -0.98 132.00 129.88 1b3k h PRO 73 Ca 0.21 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 65.31 1b3k h PRO 73 Cb 0.53 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.51 1b3k h PRO 73 CO -0.60 0.40 -0.16 0.00 -0.23 0.00 0.00 178.00 177.41 1b3k h ALA 74 N 1.67 -0.31 -1.00 -0.56 0.00 -0.42 -0.10 119.26 118.54 1b3k h ALA 74 Ca 0.25 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1b3k h ALA 74 Cb 0.21 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1b3k h ALA 74 CO -0.07 -0.70 0.66 -0.07 0.00 0.00 0.00 179.25 179.06 1b3k h LEU 75 N -0.34 1.10 -0.38 0.00 3.38 -0.76 -0.74 115.31 117.57 1b3k h LEU 75 Ca 0.01 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1b3k h LEU 75 Cb 0.33 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1b3k h LEU 75 CO -0.05 0.76 0.18 0.03 0.09 0.00 0.00 178.44 179.44 1b3k h ARG 76 N 1.28 0.35 0.10 1.13 3.08 -0.63 0.04 114.38 119.73 1b3k h ARG 76 Ca 0.39 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.43 1b3k h ARG 76 Cb -0.02 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 1b3k h ARG 76 CO -0.12 0.23 -0.48 1.25 -1.07 0.00 0.00 179.97 179.78 1b3k h HIS 77 N 0.36 -1.39 -0.86 3.04 2.76 0.36 -1.72 115.15 117.71 1b3k h HIS 77 Ca 0.17 0.04 0.13 0.00 -2.20 0.00 0.00 60.37 58.51 1b3k h HIS 77 Cb 0.10 0.59 -0.09 0.00 1.55 0.00 0.00 27.41 29.56 1b3k h HIS 77 CO -0.11 -0.54 0.46 1.25 -1.30 0.00 0.00 177.93 177.69 1b3k h LEU 78 N -0.68 0.60 -0.52 0.26 5.85 -0.91 -0.84 115.31 119.08 1b3k h LEU 78 Ca -0.01 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1b3k h LEU 78 Cb 0.68 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1b3k h LEU 78 CO -0.26 0.28 0.29 0.22 -0.34 0.00 0.00 178.44 178.63 1b3k h TYR 79 N 0.70 0.54 0.11 1.25 3.20 -0.60 -1.90 116.97 120.27 1b3k h TYR 79 Ca 0.45 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.34 1b3k h TYR 79 Cb 0.57 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.68 1b3k h TYR 79 CO -0.07 0.30 -0.05 -0.22 -1.64 0.00 0.00 178.16 176.47 1b3k h LYS 80 N 0.58 -0.14 0.00 1.82 3.64 -0.32 -1.70 116.57 120.46 1b3k h LYS 80 Ca 0.21 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1b3k h LYS 80 Cb 0.06 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1b3k h LYS 80 CO -0.12 0.00 -0.00 1.49 -2.27 0.00 0.00 179.45 178.55 1b3k h GLU 81 N -0.25 0.00 0.04 1.90 4.81 -1.02 -0.72 114.58 119.34 1b3k h GLU 81 Ca -0.01 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1b3k h GLU 81 Cb 0.20 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.59 1b3k h GLU 81 CO 0.02 0.00 -0.22 -0.07 -0.73 0.00 0.00 179.01 178.02 1b3k h LEU 82 N 0.00 0.13 -1.26 1.64 3.38 -0.88 -3.19 115.31 115.13 1b3k h LEU 82 Ca -0.00 -0.97 -0.00 0.00 0.09 0.00 0.00 57.88 57.00 1b3k h LEU 82 Cb 0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1b3k h LEU 82 CO 0.00 1.09 0.00 0.23 0.09 0.00 0.00 178.44 179.85 1b3k n MET 83 N -4.48 1.26 0.00 1.13 2.81 -0.68 -4.54 117.12 112.62 1b3k n MET 83 Ca -0.11 -0.22 0.00 0.00 -1.81 0.00 0.00 57.70 55.56 1b3k n MET 83 Cb 0.57 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 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 0.07 -3.39 0.15 3.03 0.00 -0.35 -4.89 105.19 99.82 1b3k n GLY 84 Ca 0.02 -1.14 -0.22 0.00 0.00 0.00 0.00 46.02 44.68 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 0.52 -0.72 1.61 0.11 -1.89 -3.31 132.00 128.32 1b3k h PRO 85 Ca 0.00 -0.75 0.01 0.00 0.11 0.00 0.00 66.00 65.37 1b3k h PRO 85 Cb 0.00 0.26 -0.04 0.00 0.11 0.00 0.00 31.00 31.33 1b3k h PRO 85 CO 0.00 1.34 0.48 0.11 -0.21 0.00 0.00 178.00 179.71 1b3k h TRP 86 N 0.07 0.88 -0.54 0.65 5.08 -1.92 -3.17 115.95 117.00 1b3k h TRP 86 Ca -0.18 0.02 0.09 0.00 1.08 0.00 0.00 58.89 59.90 1b3k h TRP 86 Cb 1.86 -0.30 -0.09 0.00 -3.00 0.00 0.00 29.16 27.62 1b3k h TRP 86 CO 0.14 0.55 -0.18 -1.71 -1.28 0.00 0.00 178.44 175.96 1b3k n ASN 87 N -4.44 -0.29 -3.80 0.11 2.85 -1.25 -4.77 115.26 103.68 1b3k n ASN 87 Ca 0.08 0.94 -0.27 0.00 -0.11 0.00 0.00 54.58 55.22 1b3k n ASN 87 Cb 0.06 -0.24 0.04 0.00 1.24 0.00 0.00 39.78 40.88 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 -4.83 -6.02 -1.86 1.20 4.81 -1.20 -1.45 118.16 108.81 1b3k n LYS 88 Ca 0.07 0.66 -0.21 0.00 -0.87 0.00 0.00 58.31 57.96 1b3k n LYS 88 Cb 0.24 -5.55 -0.06 0.00 0.02 0.00 0.00 35.03 29.68 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 -2.92 -5.60 0.04 3.14 9.92 -1.26 -4.86 116.55 115.01 1b3k n ASP 89 Ca -0.02 0.34 -0.01 0.00 -0.53 0.00 0.00 54.79 54.57 1b3k n ASP 89 Cb 0.56 -4.82 -0.08 0.00 -0.64 0.00 0.00 41.12 36.14 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 -3.26 -1.24 5.08 -1.52 -3.46 114.58 110.18 1b3k h GLU 90 Ca -0.44 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.71 1b3k h GLU 90 Cb 1.35 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.32 1b3k h GLU 90 CO 0.60 0.34 -0.54 -1.50 -1.00 0.00 0.00 179.01 176.92 1b3k s ILE 91 N -2.90 -0.02 0.15 3.13 2.07 -1.26 -0.75 121.20 121.62 1b3k s ILE 91 Ca -0.02 0.07 0.11 0.00 -1.41 0.00 0.00 60.65 59.40 1b3k s ILE 91 Cb 0.09 -0.26 -0.04 0.00 0.13 0.00 0.00 42.46 42.37 1b3k s ILE 91 CO 0.81 0.03 -0.26 -0.44 -1.91 0.00 0.00 174.94 173.17 1b3k s SER 92 N 0.57 3.33 -0.02 4.50 0.01 0.26 -4.95 113.70 117.41 1b3k s SER 92 Ca -0.04 -0.79 -0.16 0.00 1.31 0.00 0.00 55.95 56.27 1b3k s SER 92 Cb -0.05 -0.23 0.03 0.00 0.21 0.00 0.00 66.02 65.97 1b3k s SER 92 CO -0.03 0.16 0.34 0.28 0.41 0.00 0.00 173.24 174.39 1b3k s THR 93 N -1.27 0.05 -0.18 1.44 -1.32 -1.26 -2.17 115.64 110.93 1b3k s THR 93 Ca 0.16 -0.43 -0.29 0.00 -1.21 0.00 0.00 61.69 59.92 1b3k s THR 93 Cb -0.09 -0.64 0.12 0.00 -1.51 0.00 0.00 72.50 70.37 1b3k s THR 93 CO 0.07 -0.24 0.95 0.28 -2.21 0.00 0.00 174.62 173.47 1b3k s THR 94 N -1.30 0.00 0.40 5.08 -1.32 -0.65 -4.91 115.64 112.93 1b3k s THR 94 Ca -0.13 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.39 1b3k s THR 94 Cb -0.05 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.89 1b3k s THR 94 CO 0.05 0.00 0.05 -1.81 -2.21 0.00 0.00 174.62 170.70 1b3k s ASP 95 N -0.75 3.13 0.00 8.08 1.11 -1.26 -1.73 116.67 125.26 1b3k s ASP 95 Ca -0.02 -1.50 0.00 0.00 0.18 0.00 0.00 52.55 51.21 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 0.01 -0.71 0.00 0.00 1.18 0.00 0.00 175.17 175.65 1b3k n ALA 96 N -0.91 0.00 -3.66 5.23 0.00 -0.85 -4.93 120.51 115.38 1b3k n ALA 96 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.06 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 -0.22 1.83 -0.18 0.00 1.01 -1.26 -1.26 121.20 121.12 1b3k s ILE 97 Ca 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 60.65 59.77 1b3k s ILE 97 Cb 0.00 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.81 1b3k s ILE 97 CO 0.00 0.51 -0.04 -0.36 0.00 0.00 0.00 174.94 175.05 1b3k s PHE 98 N 0.89 2.99 0.10 3.97 0.40 0.25 -0.30 117.98 126.28 1b3k s PHE 98 Ca -0.07 -0.51 0.07 0.00 -0.60 0.00 0.00 56.93 55.82 1b3k s PHE 98 Cb -0.15 -2.00 -0.03 0.00 0.51 0.00 0.00 43.02 41.34 1b3k s PHE 98 CO -0.02 -0.21 -0.17 0.54 0.70 0.00 0.00 175.22 176.06 1b3k s VAL 99 N 0.75 1.46 -0.17 -0.44 0.11 0.53 -0.89 120.40 121.75 1b3k s VAL 99 Ca -0.02 -1.52 -0.32 0.00 -2.93 0.00 0.00 61.98 57.18 1b3k s VAL 99 Cb -0.15 -1.41 -0.10 0.00 -1.53 0.00 0.00 36.38 33.19 1b3k s VAL 99 CO 0.02 -0.20 2.05 1.67 -3.33 0.00 0.00 175.10 175.31 1b3k n GLN 100 N 0.99 1.96 -0.16 1.54 -0.06 -0.74 -2.19 117.38 118.72 1b3k n GLN 100 Ca -0.19 0.65 -0.06 0.00 -2.00 0.00 0.00 57.00 55.39 1b3k n GLN 100 Cb 0.55 -2.80 -0.05 0.00 -4.06 0.00 0.00 30.24 23.87 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 11.61 -0.08 0.00 3.69 0.11 -1.46 -2.33 114.38 125.92 1b3k h ARG 101 Ca -0.42 0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.66 1b3k h ARG 101 Cb 1.27 0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.37 1b3k h ARG 101 CO 0.97 -0.05 0.07 -0.40 0.10 0.00 0.00 179.97 180.65 1b3k n ASP 102 N -4.15 0.00 -4.71 0.08 5.75 -1.26 -4.72 116.55 107.54 1b3k n ASP 102 Ca -0.00 0.05 -0.42 0.00 -0.01 0.00 0.00 54.79 54.40 1b3k n ASP 102 Cb 0.15 -0.05 -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 -1.63 4.35 -0.97 -2.12 1.02 -0.88 -4.93 118.68 113.51 1b3k s LEU 103 Ca 0.00 1.77 -0.26 0.00 0.02 0.00 0.00 54.13 55.67 1b3k s LEU 103 Cb 0.00 -3.57 -0.15 0.00 0.02 0.00 0.00 46.19 42.49 1b3k s LEU 103 CO 0.00 -0.38 2.16 -0.75 0.02 0.00 0.00 176.35 177.40 1b3k s LYS 104 N 1.25 1.72 0.38 1.70 2.20 -1.26 -4.91 119.74 120.82 1b3k s LYS 104 Ca 0.54 -0.22 -0.26 0.00 -0.36 0.00 0.00 55.97 55.68 1b3k s LYS 104 Cb -0.24 -4.97 -0.09 0.00 -1.51 0.00 0.00 37.83 31.03 1b3k s LYS 104 CO 0.27 -4.61 1.13 -0.51 -0.36 0.00 0.00 175.35 171.27 1b3k s LEU 105 N 14.35 4.24 0.18 5.43 1.43 -1.26 -4.32 118.68 138.72 1b3k s LEU 105 Ca 0.81 2.26 -0.33 0.00 -1.03 0.00 0.00 54.13 55.84 1b3k s LEU 105 Cb -0.07 -4.00 -0.14 0.00 0.03 0.00 0.00 46.19 42.01 1b3k s LEU 105 CO 0.11 -0.55 1.53 1.33 0.23 0.00 0.00 176.35 179.00 1b3k n VAL 106 N 0.21 0.26 -1.57 -1.59 0.24 0.62 -4.81 118.33 111.70 1b3k n VAL 106 Ca 0.04 -0.07 -0.60 0.00 -2.04 0.00 0.00 64.34 61.67 1b3k n VAL 106 Cb 0.47 -1.51 -0.08 0.00 -1.47 0.00 0.00 33.84 31.25 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 3.01 0.19 -1.26 7.34 7.27 -1.26 -1.23 117.38 131.43 1b3k n GLN 107 Ca 0.15 0.07 -0.09 0.00 0.07 0.00 0.00 57.00 57.20 1b3k n GLN 107 Cb 0.29 -1.60 -0.04 0.00 2.41 0.00 0.00 30.24 31.31 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 2.22 1.02 0.18 1.69 0.00 -1.26 -4.92 105.19 104.13 1b3k n GLY 108 Ca 0.22 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.34 -0.69 1.61 3.04 -1.52 -3.06 116.94 115.98 1b3k h PHE 109 Ca -0.19 -0.01 0.13 0.00 3.98 0.00 0.00 57.97 61.89 1b3k h PHE 109 Cb 0.79 0.11 -0.13 0.00 2.56 0.00 0.00 35.95 39.28 1b3k h PHE 109 CO 0.38 -0.08 -0.26 0.52 -2.02 0.00 0.00 178.31 176.85 1b3k h MET 110 N -1.03 -0.07 -0.95 1.11 2.86 -1.91 0.22 114.93 115.16 1b3k h MET 110 Ca -0.04 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.65 1b3k h MET 110 Cb 0.42 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.03 1b3k h MET 110 CO 0.06 -0.04 0.62 -1.00 1.06 0.00 0.00 176.91 177.61 1b3k h PRO 111 N -0.07 1.13 0.16 -0.22 0.13 -1.98 0.51 132.00 131.66 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 0.55 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 31.42 1b3k h PRO 111 CO -0.74 0.75 -0.08 1.25 -0.23 0.00 0.00 178.00 178.95 1b3k h HIS 112 N 1.16 -0.20 -0.19 1.56 2.76 -0.72 -0.89 115.15 118.64 1b3k h HIS 112 Ca 0.39 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.60 1b3k h HIS 112 Cb 0.07 0.07 -0.07 0.00 1.55 0.00 0.00 27.41 29.03 1b3k h HIS 112 CO -0.00 0.02 -0.49 0.35 -1.30 0.00 0.00 177.93 176.51 1b3k h PHE 113 N -0.39 -1.43 -0.21 5.26 3.57 -0.07 0.40 116.94 124.07 1b3k h PHE 113 Ca -0.02 0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.60 1b3k h PHE 113 Cb 0.31 0.65 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1b3k h PHE 113 CO -0.01 -0.51 0.24 0.35 -2.23 0.00 0.00 178.31 176.15 1b3k h PHE 114 N -0.50 0.00 0.43 0.41 3.04 -0.81 -0.81 116.94 118.69 1b3k h PHE 114 Ca 0.07 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.00 1b3k h PHE 114 Cb 0.65 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.16 1b3k h PHE 114 CO -0.57 0.00 -0.21 -0.09 -2.02 0.00 0.00 178.31 175.43 1b3k h ARG 115 N 0.00 -0.55 0.04 1.11 2.43 0.13 -1.64 114.38 115.89 1b3k h ARG 115 Ca 0.10 0.04 -0.26 0.00 -0.81 0.00 0.00 59.98 59.05 1b3k h ARG 115 Cb 0.59 0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1b3k h ARG 115 CO -0.00 -0.31 -1.07 -0.07 -1.51 0.00 0.00 179.97 177.01 1b3k h LEU 116 N -0.68 0.72 -1.82 3.80 4.07 -0.78 -3.38 115.31 117.23 1b3k h LEU 116 Ca -0.06 -0.61 0.00 0.00 0.08 0.00 0.00 57.88 57.29 1b3k h LEU 116 Cb 0.50 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.01 1b3k h LEU 116 CO 0.10 1.42 0.00 0.49 -1.08 0.00 0.00 178.44 179.37 1b3k n PHE 117 N -3.77 0.13 -1.53 1.13 3.72 -0.42 -4.68 117.46 112.04 1b3k n PHE 117 Ca -0.10 -0.11 -0.13 0.00 -0.05 0.00 0.00 57.45 57.06 1b3k n PHE 117 Cb 0.90 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 39.39 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 -1.42 -4.45 -1.08 5.12 -0.62 -4.90 116.66 110.06 1b3k n ARG 118 Ca 0.09 0.73 -0.23 0.00 -1.93 0.00 0.00 57.85 56.52 1b3k n ARG 118 Cb 0.36 -5.02 -0.09 0.00 -1.16 0.00 0.00 32.46 26.55 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 2.31 0.05 0.55 0.01 -1.26 -5.04 113.70 108.25 1b3k s SER 119 Ca 0.00 -1.56 0.04 0.00 1.31 0.00 0.00 55.95 55.74 1b3k s SER 119 Cb 0.00 0.33 -0.02 0.00 0.21 0.00 0.00 66.02 66.53 1b3k s SER 119 CO 0.00 -0.84 -0.13 0.42 0.41 0.00 0.00 173.24 173.10 1b3k s THR 120 N -3.35 1.00 -0.55 1.44 -4.23 -1.26 -3.51 115.64 105.17 1b3k s THR 120 Ca 0.30 -1.09 -0.28 0.00 -1.18 0.00 0.00 61.69 59.44 1b3k s THR 120 Cb 0.05 -0.94 0.01 0.00 1.34 0.00 0.00 72.50 72.96 1b3k s THR 120 CO 0.15 -0.13 1.41 -0.69 -0.54 0.00 0.00 174.62 174.82 1b3k s VAL 121 N -1.05 3.80 0.15 2.29 1.01 -1.26 -4.73 120.40 120.61 1b3k s VAL 121 Ca -0.01 0.70 -0.34 0.00 0.00 0.00 0.00 61.98 62.32 1b3k s VAL 121 Cb -0.09 -4.42 -0.15 0.00 0.00 0.00 0.00 36.38 31.73 1b3k s VAL 121 CO 0.01 -1.13 1.48 0.29 0.00 0.00 0.00 175.10 175.76 1b3k n LYS 122 N 8.60 1.85 -3.76 2.72 4.76 0.60 -4.78 118.16 128.14 1b3k n LYS 122 Ca 0.13 0.67 -0.38 0.00 -2.87 0.00 0.00 58.31 55.86 1b3k n LYS 122 Cb 0.49 -2.38 -0.12 0.00 -1.84 0.00 0.00 35.03 31.18 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 0.58 2.59 0.30 1.97 -0.21 -1.26 -0.34 119.66 123.28 1b3k s GLN 123 Ca 0.78 -1.21 0.10 0.00 0.02 0.00 0.00 55.36 55.05 1b3k s GLN 123 Cb -0.75 -3.46 -0.06 0.00 1.00 0.00 0.00 33.01 29.75 1b3k s GLN 123 CO 0.42 -0.68 -0.13 0.14 -2.12 0.00 0.00 175.29 172.92 1b3k s VAL 124 N 1.39 2.18 -0.60 1.09 -7.23 -0.93 -4.68 120.40 111.62 1b3k s VAL 124 Ca -0.02 -2.27 -0.15 0.00 -1.81 0.00 0.00 61.98 57.74 1b3k s VAL 124 Cb -0.20 -2.43 0.15 0.00 0.56 0.00 0.00 36.38 34.46 1b3k s VAL 124 CO 0.02 -0.33 0.55 -0.62 -0.31 0.00 0.00 175.10 174.41 1b3k s ASP 125 N -3.52 6.25 0.00 4.85 2.15 -1.26 -1.29 116.67 123.86 1b3k s ASP 125 Ca 0.30 -2.04 0.03 0.00 0.43 0.00 0.00 52.55 51.27 1b3k s ASP 125 Cb -0.00 -2.18 0.20 0.00 -0.30 0.00 0.00 42.92 40.63 1b3k s ASP 125 CO 0.14 -0.76 0.54 0.49 -0.17 0.00 0.00 175.17 175.41 1b3k n PHE 126 N 4.87 0.00 0.14 -5.34 3.72 -1.26 -0.95 117.46 118.64 1b3k n PHE 126 Ca -0.06 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.36 1b3k n PHE 126 Cb 0.42 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.98 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 -2.09 4.37 0.02 -1.87 -3.11 113.55 110.86 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 -0.22 0.00 0.14 0.00 0.00 62.40 62.32 1b3k h SER 127 CO 0.00 0.53 1.43 -0.62 -1.14 0.00 0.00 176.83 177.03 1b3k n GLU 128 N -3.23 4.41 -0.28 3.45 -0.58 -0.13 -4.82 120.64 119.46 1b3k n GLU 128 Ca 0.02 -4.11 0.05 0.00 -0.42 0.00 0.00 57.16 52.70 1b3k n GLU 128 Cb 0.74 -2.64 0.15 0.00 -0.57 0.00 0.00 31.44 29.12 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 3.20 0.24 -0.66 2.62 2.07 -1.80 0.35 116.25 122.28 1b3k h VAL 129 Ca 0.38 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.83 1b3k h VAL 129 Cb 0.52 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1b3k h VAL 129 CO 1.42 0.01 0.17 -0.33 0.02 0.00 0.00 177.57 178.86 1b3k h GLU 130 N 0.05 1.05 0.37 1.57 4.39 -1.94 -1.02 114.58 119.06 1b3k h GLU 130 Ca 0.43 -0.25 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 1b3k h GLU 130 Cb 0.74 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1b3k h GLU 130 CO -0.76 0.93 -0.18 -0.09 -1.16 0.00 0.00 179.01 177.75 1b3k h ARG 131 N 0.97 -0.48 -0.07 2.33 9.65 -1.28 -3.03 114.38 122.48 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 0.35 0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.00 1b3k h ARG 131 CO -0.00 -0.17 -0.11 0.00 2.80 0.00 0.00 179.97 182.49 1b3k h ALA 132 N -0.48 -0.07 -1.19 2.80 0.00 -0.45 0.22 119.26 120.09 1b3k h ALA 132 Ca -0.05 0.03 0.34 0.00 0.00 0.00 0.00 54.91 55.23 1b3k h ALA 132 Cb 0.54 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 1b3k h ALA 132 CO 0.08 -0.58 0.81 -0.09 0.00 0.00 0.00 179.25 179.47 1b3k h ARG 133 N -0.16 0.15 0.01 0.00 2.43 -1.27 0.48 114.38 116.03 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 0.25 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1b3k h ARG 133 CO -0.16 0.10 -0.21 0.35 -1.51 0.00 0.00 179.97 178.54 1b3k h PHE 134 N 0.16 0.05 -0.92 2.20 3.57 -0.86 -3.07 116.94 118.06 1b3k h PHE 134 Ca 0.63 -0.03 0.24 0.00 3.53 0.00 0.00 57.97 62.33 1b3k h PHE 134 Cb 2.10 -0.00 -0.13 0.00 2.79 0.00 0.00 35.95 40.70 1b3k h PHE 134 CO -0.00 1.08 0.41 0.82 -2.23 0.00 0.00 178.31 178.38 1b3k h ILE 135 N -0.94 0.42 0.55 1.41 2.04 0.14 0.91 117.51 122.04 1b3k h ILE 135 Ca -0.05 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1b3k h ILE 135 Cb 1.09 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1b3k h ILE 135 CO -0.01 0.07 -0.26 0.40 0.00 0.00 0.00 178.15 178.34 1b3k h ILE 136 N 0.37 0.35 -0.63 -0.67 2.04 -1.23 -2.26 117.51 115.47 1b3k h ILE 136 Ca 0.59 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 66.18 1b3k h ILE 136 Cb 1.18 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 1b3k h ILE 136 CO -0.56 0.04 0.34 0.78 0.00 0.00 0.00 178.15 178.75 1b3k h ASN 137 N -0.98 0.49 -0.06 1.72 -0.26 -1.01 -0.82 115.58 114.66 1b3k h ASN 137 Ca -0.08 0.03 0.02 0.00 -0.56 0.00 0.00 56.30 55.72 1b3k h ASN 137 Cb 0.64 -0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 37.84 1b3k h ASN 137 CO 0.12 0.32 0.05 -0.78 -1.06 0.00 0.00 177.43 176.08 1b3k h ASP 138 N 0.63 0.00 -0.06 5.81 3.58 0.82 -1.39 116.42 125.81 1b3k h ASP 138 Ca 0.29 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.70 1b3k h ASP 138 Cb 0.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.25 1b3k h ASP 138 CO -0.19 0.00 -0.12 -0.25 -2.88 0.00 0.00 179.24 175.80 1b3k h TRP 139 N 0.00 0.24 0.00 0.28 2.91 -0.53 -1.88 115.95 116.96 1b3k h TRP 139 Ca 0.03 -0.09 -0.01 0.00 1.13 0.00 0.00 58.89 59.95 1b3k h TRP 139 Cb 0.12 -0.04 -0.00 0.00 -0.51 0.00 0.00 29.16 28.72 1b3k h TRP 139 CO 0.00 0.72 -0.03 0.28 -1.03 0.00 0.00 178.44 178.38 1b3k h VAL 140 N -0.32 0.55 0.03 2.65 2.07 -1.01 -2.68 116.25 117.54 1b3k h VAL 140 Ca 0.00 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1b3k h VAL 140 Cb 0.71 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1b3k h VAL 140 CO 0.03 0.03 -0.02 0.50 0.02 0.00 0.00 177.57 178.13 1b3k h LYS 141 N 0.00 -0.04 0.00 1.57 3.64 -1.01 -2.88 116.57 117.85 1b3k h LYS 141 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1b3k h LYS 141 Cb 0.07 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1b3k h LYS 141 CO 0.00 0.65 0.00 0.25 -2.27 0.00 0.00 179.45 178.09 1b3k n THR 142 N -4.74 1.15 0.23 1.00 -2.24 -0.72 -0.17 114.28 108.79 1b3k n THR 142 Ca -0.08 0.29 0.02 0.00 -2.27 0.00 0.00 64.05 62.01 1b3k n THR 142 Cb 0.35 -1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 67.46 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 -1.47 0.00 -1.06 4.78 8.25 -1.03 -4.47 115.22 120.21 1b3k n HIS 143 Ca 0.03 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.52 1b3k n HIS 143 Cb 0.13 0.00 0.29 0.00 1.12 0.00 0.00 29.99 31.53 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 -1.10 2.58 -2.24 1.59 -2.24 -1.09 -4.48 114.28 107.31 1b3k n THR 144 Ca 0.01 -1.87 -0.21 0.00 -2.27 0.00 0.00 64.05 59.72 1b3k n THR 144 Cb 0.08 -0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 67.98 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 -0.34 -1.60 -0.82 -0.78 4.76 -1.21 -1.02 118.16 117.14 1b3k n LYS 145 Ca 0.30 1.04 0.00 0.00 -2.87 0.00 0.00 58.31 56.78 1b3k n LYS 145 Cb 1.10 -5.64 0.00 0.00 -1.84 0.00 0.00 35.03 28.65 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 -0.91 0.84 0.26 0.72 0.00 0.76 -4.84 105.19 102.01 1b3k n GLY 146 Ca -0.24 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 2.18 0.00 -3.07 1.61 2.86 -1.32 -3.36 114.93 113.84 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 0.08 -0.75 0.42 1.06 0.00 0.00 176.91 177.71 1b3k s ILE 148 N -3.64 1.15 -1.12 -1.22 1.01 -1.26 -5.00 121.20 111.12 1b3k s ILE 148 Ca 0.01 -2.21 0.24 0.00 0.00 0.00 0.00 60.65 58.69 1b3k s ILE 148 Cb 0.09 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.72 1b3k s ILE 148 CO 0.58 -0.86 1.30 -1.54 0.00 0.00 0.00 174.94 174.42 1b3k n SER 149 N 3.88 0.73 -3.65 3.58 3.41 -1.26 -2.58 113.62 117.73 1b3k n SER 149 Ca 0.07 -0.54 -0.13 0.00 -0.26 0.00 0.00 58.87 58.00 1b3k n SER 149 Cb 0.36 0.43 -0.08 0.00 -0.26 0.00 0.00 64.21 64.66 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 -2.93 -0.76 -0.18 7.33 5.65 -1.26 -4.59 115.29 118.55 1b3k s HIS 150 Ca 0.12 1.81 -0.03 0.00 0.25 0.00 0.00 55.06 57.20 1b3k s HIS 150 Cb 0.17 0.28 -0.02 0.00 -1.18 0.00 0.00 32.58 31.84 1b3k s HIS 150 CO 0.72 -0.37 -0.05 -0.51 -0.65 0.00 0.00 174.74 173.88 1b3k s LEU 151 N 0.47 3.00 0.50 8.88 1.43 -1.26 -5.00 118.68 126.70 1b3k s LEU 151 Ca -0.01 -0.28 0.24 0.00 -1.03 0.00 0.00 54.13 53.05 1b3k s LEU 151 Cb -0.05 -1.74 1.33 0.00 0.03 0.00 0.00 46.19 45.77 1b3k s LEU 151 CO -0.01 0.08 2.05 -0.07 0.23 0.00 0.00 176.35 178.63 1b3k h LEU 152 N 7.39 0.00 -1.02 1.79 4.07 -2.00 -2.83 115.31 122.70 1b3k h LEU 152 Ca -0.35 0.00 0.08 0.00 0.08 0.00 0.00 57.88 57.70 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 0.64 1.23 -1.08 0.00 0.00 178.44 179.97 1b3k h GLY 153 N 0.75 1.56 1.05 0.83 0.00 -1.99 0.93 103.07 106.21 1b3k h GLY 153 Ca -0.00 -0.46 0.05 0.00 0.00 0.00 0.00 47.33 46.92 1b3k h GLY 153 CO 0.02 0.28 0.42 -0.91 0.00 0.00 0.00 176.54 176.35 1b3k h THR 154 N 1.11 0.14 0.00 4.70 1.35 -1.88 0.21 112.91 118.54 1b3k h THR 154 Ca 0.45 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.31 1b3k h THR 154 Cb 0.28 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 1b3k h THR 154 CO -0.20 0.00 0.24 0.61 -0.25 0.00 0.00 175.52 175.92 1b3k n GLY 155 N -1.35 -0.53 0.50 5.82 0.00 0.32 -0.23 105.19 109.72 1b3k n GLY 155 Ca 0.02 0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.49 2.39 -1.88 4.61 0.00 0.73 -4.99 120.51 119.88 1b3k n ALA 156 Ca -0.01 -0.76 -0.41 0.00 0.00 0.00 0.00 53.44 52.27 1b3k n ALA 156 Cb 0.26 -0.39 -0.04 0.00 0.00 0.00 0.00 19.45 19.27 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 -0.95 3.64 0.35 0.00 -7.23 0.68 -4.99 120.40 111.89 1b3k s VAL 157 Ca 0.16 1.54 -0.00 0.00 -1.81 0.00 0.00 61.98 61.87 1b3k s VAL 157 Cb 0.10 -3.98 -0.00 0.00 0.56 0.00 0.00 36.38 33.05 1b3k s VAL 157 CO 0.14 0.33 0.45 1.51 -0.31 0.00 0.00 175.10 177.22 1b3k s ASP 158 N -0.56 1.10 0.67 4.85 -4.77 -1.26 -4.97 116.67 111.73 1b3k s ASP 158 Ca 0.47 -1.56 0.31 0.00 -3.30 0.00 0.00 52.55 48.47 1b3k s ASP 158 Cb -0.31 0.65 1.70 0.00 -1.09 0.00 0.00 42.92 43.87 1b3k s ASP 158 CO 0.38 -1.27 1.96 0.06 0.70 0.00 0.00 175.17 177.00 1b3k h GLN 159 N 2.10 0.00 -0.01 2.11 3.07 -1.86 0.45 115.11 120.98 1b3k h GLN 159 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.46 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 0.38 0.00 -0.35 1.28 0.09 0.00 0.00 178.83 180.23 1b3k n LEU 160 N -2.90 1.00 -4.76 0.06 4.77 -1.26 -4.60 117.00 109.31 1b3k n LEU 160 Ca -0.02 -0.26 -0.40 0.00 -0.03 0.00 0.00 56.01 55.30 1b3k n LEU 160 Cb 0.35 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1b3k n LEU 160 CO 0.14 0.20 1.06 0.41 -1.33 0.00 0.00 177.39 177.86 1b3k n THR 161 N -0.80 2.97 0.00 -5.08 -1.04 0.15 -4.92 114.28 105.56 1b3k n THR 161 Ca 0.10 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.61 1b3k n THR 161 Cb 0.35 -1.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.05 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 -0.32 0.00 -4.07 -2.82 5.12 -1.26 -4.78 116.66 108.53 1b3k n ARG 162 Ca 0.06 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.76 1b3k n ARG 162 Cb 0.42 -0.49 -0.17 0.00 -1.16 0.00 0.00 32.46 31.06 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 -5.06 1.15 -0.01 0.55 2.96 -1.25 -1.79 118.68 115.23 1b3k s LEU 163 Ca 0.00 -0.15 0.05 0.00 -0.22 0.00 0.00 54.13 53.80 1b3k s LEU 163 Cb 0.00 -0.53 -0.01 0.00 0.50 0.00 0.00 46.19 46.15 1b3k s LEU 163 CO 0.00 -0.09 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.09 1b3k s VAL 164 N 1.26 1.25 -0.02 1.68 1.01 -0.07 0.04 120.40 125.55 1b3k s VAL 164 Ca -0.05 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.33 1b3k s VAL 164 Cb -0.14 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1b3k s VAL 164 CO -0.02 0.35 -0.24 -0.22 0.00 0.00 0.00 175.10 174.97 1b3k s LEU 165 N -0.33 2.05 -0.05 3.92 0.20 0.38 -0.59 118.68 124.26 1b3k s LEU 165 Ca 0.05 -0.45 -0.08 0.00 0.69 0.00 0.00 54.13 54.34 1b3k s LEU 165 Cb -0.07 -1.27 0.02 0.00 -0.43 0.00 0.00 46.19 44.45 1b3k s LEU 165 CO -0.00 0.30 0.21 -0.69 -0.29 0.00 0.00 176.35 175.87 1b3k s VAL 166 N -0.55 0.03 -0.07 1.68 1.01 -0.39 -2.15 120.40 119.95 1b3k s VAL 166 Ca 0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 1b3k s VAL 166 Cb -0.10 -0.38 0.04 0.00 0.00 0.00 0.00 36.38 35.95 1b3k s VAL 166 CO -0.01 -0.12 0.14 0.21 0.00 0.00 0.00 175.10 175.33 1b3k s ASN 167 N -0.40 0.19 -0.01 3.32 2.47 -0.67 -2.02 114.94 117.82 1b3k s ASN 167 Ca -0.05 0.30 0.00 0.00 0.42 0.00 0.00 52.86 53.53 1b3k s ASN 167 Cb -0.03 0.20 0.01 0.00 -1.45 0.00 0.00 41.25 39.97 1b3k s ASN 167 CO 0.01 -0.18 -0.00 0.00 -3.72 0.00 0.00 177.10 173.21 1b3k s ALA 168 N 1.54 0.09 0.03 1.71 0.00 -0.70 -1.63 121.76 122.80 1b3k s ALA 168 Ca -0.05 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.91 1b3k s ALA 168 Cb -0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 1b3k s ALA 168 CO -0.06 -0.01 0.02 -0.51 0.00 0.00 0.00 175.76 175.21 1b3k s LEU 169 N 0.20 2.11 -0.03 0.00 1.43 -0.73 -1.64 118.68 120.02 1b3k s LEU 169 Ca -0.02 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 1b3k s LEU 169 Cb -0.03 0.30 0.02 0.00 0.03 0.00 0.00 46.19 46.51 1b3k s LEU 169 CO -0.01 -0.41 -0.03 -0.47 0.23 0.00 0.00 176.35 175.66 1b3k s TYR 170 N -2.19 0.53 -0.02 0.29 5.04 -0.92 -2.14 117.35 117.93 1b3k s TYR 170 Ca -0.09 -0.11 -0.01 0.00 -2.44 0.00 0.00 57.07 54.42 1b3k s TYR 170 Cb -0.04 -0.50 0.01 0.00 0.35 0.00 0.00 41.96 41.78 1b3k s TYR 170 CO -0.03 -0.13 0.05 0.12 -1.34 0.00 0.00 175.55 174.21 1b3k s PHE 171 N 0.75 -0.04 -0.50 4.97 5.36 -0.26 -0.57 117.98 127.69 1b3k s PHE 171 Ca -0.09 0.15 0.06 0.00 -0.96 0.00 0.00 56.93 56.10 1b3k s PHE 171 Cb -0.12 -0.06 0.21 0.00 -0.34 0.00 0.00 43.02 42.71 1b3k s PHE 171 CO -0.01 -0.06 0.77 -1.71 -1.46 0.00 0.00 175.22 172.76 1b3k n ASN 172 N 3.49 -2.95 -4.69 6.13 4.05 0.07 -0.41 115.26 120.96 1b3k n ASN 172 Ca -0.18 -3.05 -0.30 0.00 0.45 0.00 0.00 54.58 51.49 1b3k n ASN 172 Cb 0.56 1.59 0.15 0.00 1.23 0.00 0.00 39.78 43.31 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 -0.35 1.65 -0.31 8.20 0.00 -1.26 -4.66 107.32 110.59 1b3k s GLY 173 Ca 0.31 0.22 -0.12 0.00 0.00 0.00 0.00 44.72 45.14 1b3k s GLY 173 CO -0.15 0.68 0.21 1.20 0.00 0.00 0.00 173.10 175.04 1b3k s GLN 174 N -4.78 3.66 0.49 2.90 -0.21 -1.26 -2.12 119.66 118.33 1b3k s GLN 174 Ca 0.64 -0.52 -0.24 0.00 0.02 0.00 0.00 55.36 55.27 1b3k s GLN 174 Cb -0.20 -3.71 -0.07 0.00 1.00 0.00 0.00 33.01 30.03 1b3k s GLN 174 CO 0.58 -0.33 1.34 0.91 -2.12 0.00 0.00 175.29 175.67 1b3k n TRP 175 N 5.07 2.30 -0.03 0.91 5.03 -1.26 0.70 117.44 130.15 1b3k n TRP 175 Ca -0.13 0.45 -0.13 0.00 3.03 0.00 0.00 57.50 60.72 1b3k n TRP 175 Cb 0.51 -2.38 -0.09 0.00 -1.03 0.00 0.00 31.31 28.32 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 1.81 0.18 -4.35 -0.99 3.64 -1.42 -3.34 116.57 112.11 1b3k h LYS 176 Ca -0.50 -0.10 -0.67 0.00 -1.27 0.00 0.00 60.65 58.11 1b3k h LYS 176 Cb 1.29 0.01 -0.39 0.00 -0.41 0.00 0.00 32.23 32.73 1b3k h LYS 176 CO 0.59 0.63 -0.65 0.99 -2.27 0.00 0.00 179.45 178.74 1b3k s THR 177 N -4.22 2.63 0.59 1.00 2.01 -1.26 -4.84 115.64 111.56 1b3k s THR 177 Ca -0.15 -2.50 -0.20 0.00 0.31 0.00 0.00 61.69 59.15 1b3k s THR 177 Cb 0.03 -2.87 -0.03 0.00 0.01 0.00 0.00 72.50 69.64 1b3k s THR 177 CO 0.72 -0.67 1.28 -2.84 -0.69 0.00 0.00 174.62 172.42 1b3k s PRO 178 N 0.68 2.91 0.01 4.92 0.02 -1.26 -4.99 135.00 137.29 1b3k s PRO 178 Ca 0.12 2.04 -0.28 0.00 0.02 0.00 0.00 61.00 62.90 1b3k s PRO 178 Cb -0.21 -2.02 -0.04 0.00 0.02 0.00 0.00 34.50 32.25 1b3k s PRO 178 CO -0.06 -1.31 0.90 -0.06 -0.33 0.00 0.00 177.00 176.14 1b3k s PHE 179 N -1.42 3.68 0.21 6.54 0.40 -0.13 -5.00 117.98 122.26 1b3k s PHE 179 Ca 0.77 1.61 -0.32 0.00 -0.60 0.00 0.00 56.93 58.39 1b3k s PHE 179 Cb -0.36 -3.01 -0.11 0.00 0.51 0.00 0.00 43.02 40.04 1b3k s PHE 179 CO 0.40 0.08 1.66 -2.14 0.70 0.00 0.00 175.22 175.92 1b3k s PRO 180 N 0.66 4.15 0.16 0.24 0.02 -1.26 -4.78 135.00 134.20 1b3k s PRO 180 Ca 0.47 2.53 -0.12 0.00 0.02 0.00 0.00 61.00 63.89 1b3k s PRO 180 Cb -0.21 -3.09 0.06 0.00 0.02 0.00 0.00 34.50 31.28 1b3k s PRO 180 CO 0.26 -0.69 1.69 -0.44 -0.33 0.00 0.00 177.00 177.50 1b3k h ASP 181 N 6.49 0.82 0.00 2.53 3.32 -1.95 -2.49 116.42 125.14 1b3k h ASP 181 Ca -0.43 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.41 1b3k h ASP 181 Cb 1.20 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.54 1b3k h ASP 181 CO 0.92 0.81 0.00 -1.54 -1.72 0.00 0.00 179.24 177.71 1b3k n SER 182 N -4.44 0.00 0.00 6.45 3.41 -1.26 -2.09 113.62 115.69 1b3k n SER 182 Ca 0.03 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1b3k n SER 182 Cb 0.20 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 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 0.15 3.92 -4.53 4.04 7.64 -0.94 -4.97 113.62 118.95 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 0.02 -0.16 0.00 -1.01 0.00 0.00 64.21 63.06 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 -2.45 -0.00 -2.52 0.44 -1.04 -0.89 -4.70 114.28 103.12 1b3k n THR 184 Ca 0.00 -0.50 -0.25 0.00 -2.04 0.00 0.00 64.05 61.27 1b3k n THR 184 Cb 0.48 -0.90 0.13 0.00 -1.82 0.00 0.00 70.33 68.23 1b3k n THR 184 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 1b3k s HIS 185 N 6.68 1.24 -0.94 -1.42 -3.43 -1.17 -4.77 115.29 111.49 1b3k s HIS 185 Ca 1.15 -0.30 -0.01 0.00 -0.80 0.00 0.00 55.06 55.10 1b3k s HIS 185 Cb -0.54 -3.17 0.30 0.00 -1.43 0.00 0.00 32.58 27.74 1b3k s HIS 185 CO 0.35 -2.02 1.35 -2.13 -2.00 0.00 0.00 174.74 170.30 1b3k n ARG 186 N -3.04 4.17 -1.07 -0.38 0.63 -1.26 -0.75 116.66 114.95 1b3k n ARG 186 Ca 0.17 -4.63 -0.29 0.00 -0.92 0.00 0.00 57.85 52.18 1b3k n ARG 186 Cb 0.61 -2.43 0.19 0.00 0.45 0.00 0.00 32.46 31.28 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 -3.10 0.04 0.08 -0.14 0.52 -1.14 -4.62 118.95 110.59 1b3k s ARG 187 Ca 0.36 0.49 -0.11 0.00 -0.52 0.00 0.00 55.73 55.95 1b3k s ARG 187 Cb 0.12 -1.69 -0.06 0.00 0.52 0.00 0.00 34.95 33.83 1b3k s ARG 187 CO 0.02 -2.99 0.43 -1.17 0.02 0.00 0.00 175.30 171.61 1b3k s LEU 188 N -6.63 4.37 -0.04 2.53 2.96 -1.26 -1.65 118.68 118.97 1b3k s LEU 188 Ca 0.66 0.87 0.06 0.00 -0.22 0.00 0.00 54.13 55.50 1b3k s LEU 188 Cb -0.19 -2.97 -0.01 0.00 0.50 0.00 0.00 46.19 43.52 1b3k s LEU 188 CO 0.59 0.18 -0.22 0.12 -1.32 0.00 0.00 176.35 175.70 1b3k s PHE 189 N -1.36 2.08 -0.27 5.38 5.36 0.13 -4.82 117.98 124.48 1b3k s PHE 189 Ca 0.32 -0.52 -0.11 0.00 -0.96 0.00 0.00 56.93 55.67 1b3k s PHE 189 Cb -0.15 -1.36 -0.05 0.00 -0.34 0.00 0.00 43.02 41.13 1b3k s PHE 189 CO 0.17 -0.12 0.20 -1.01 -1.46 0.00 0.00 175.22 173.00 1b3k s HIS 190 N -0.28 3.25 0.69 10.12 3.76 0.45 -0.80 115.29 132.48 1b3k s HIS 190 Ca 0.02 0.18 -0.09 0.00 -0.15 0.00 0.00 55.06 55.02 1b3k s HIS 190 Cb -0.11 -2.36 0.03 0.00 1.11 0.00 0.00 32.58 31.25 1b3k s HIS 190 CO 0.01 -0.09 1.04 0.15 -0.85 0.00 0.00 174.74 175.00 1b3k s LYS 191 N 1.55 2.67 0.31 1.40 1.02 -1.00 -4.06 119.74 121.63 1b3k s LYS 191 Ca 0.08 0.18 0.09 0.00 0.02 0.00 0.00 55.97 56.34 1b3k s LYS 191 Cb -0.15 -2.11 0.51 0.00 -0.52 0.00 0.00 37.83 35.56 1b3k s LYS 191 CO 0.09 -1.04 1.72 0.66 -0.92 0.00 0.00 175.35 175.86 1b3k h SER 192 N -0.56 0.14 -0.92 2.83 4.64 -1.90 -2.45 113.55 115.34 1b3k h SER 192 Ca -0.45 -0.06 0.26 0.00 -0.47 0.00 0.00 61.79 61.07 1b3k h SER 192 Cb 1.27 -0.04 -0.16 0.00 -0.31 0.00 0.00 62.40 63.17 1b3k h SER 192 CO 0.63 0.56 0.19 -0.78 -0.87 0.00 0.00 176.83 176.56 1b3k h ASP 193 N 0.11 -0.13 0.00 4.97 1.82 -1.94 -3.45 116.42 117.80 1b3k h ASP 193 Ca 0.01 0.23 0.00 0.00 -0.39 0.00 0.00 57.03 56.88 1b3k h ASP 193 Cb 0.82 0.34 0.00 0.00 0.68 0.00 0.00 39.33 41.17 1b3k h ASP 193 CO 0.06 -0.24 0.00 0.61 -1.61 0.00 0.00 179.24 178.06 1b3k n GLY 194 N -1.40 2.46 0.00 -0.78 0.00 -0.92 -5.10 105.19 99.45 1b3k n GLY 194 Ca 0.23 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.37 -3.63 1.61 3.41 -1.26 -4.66 113.62 108.72 1b3k n SER 195 Ca 0.00 -0.02 -0.09 0.00 -0.26 0.00 0.00 58.87 58.49 1b3k n SER 195 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 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 -2.38 115.64 113.95 1b3k s THR 196 Ca 0.00 -1.24 -0.25 0.00 -1.18 0.00 0.00 61.69 59.02 1b3k s THR 196 Cb 0.00 -2.35 0.10 0.00 1.34 0.00 0.00 72.50 71.59 1b3k s THR 196 CO 0.00 0.00 0.89 0.68 -0.54 0.00 0.00 174.62 175.65 1b3k s VAL 197 N -3.49 0.00 -0.49 2.29 -7.23 0.02 -4.91 120.40 106.58 1b3k s VAL 197 Ca 0.19 0.00 -0.22 0.00 -1.81 0.00 0.00 61.98 60.14 1b3k s VAL 197 Cb -0.03 -1.00 0.04 0.00 0.56 0.00 0.00 36.38 35.95 1b3k s VAL 197 CO 0.11 0.00 0.75 -0.44 -0.31 0.00 0.00 175.10 175.21 1b3k s SER 198 N 0.28 6.32 0.25 4.85 0.01 -1.26 0.17 113.70 124.31 1b3k s SER 198 Ca 0.02 -0.46 0.11 0.00 1.31 0.00 0.00 55.95 56.92 1b3k s SER 198 Cb -0.05 -2.36 -0.05 0.00 0.21 0.00 0.00 66.02 63.78 1b3k s SER 198 CO -0.03 -0.97 -0.12 0.68 0.41 0.00 0.00 173.24 173.21 1b3k s VAL 199 N 3.18 2.89 0.40 3.43 -7.23 -0.66 -4.95 120.40 117.47 1b3k s VAL 199 Ca 0.24 -2.11 -0.26 0.00 -1.81 0.00 0.00 61.98 58.04 1b3k s VAL 199 Cb -0.15 -2.51 -0.09 0.00 0.56 0.00 0.00 36.38 34.20 1b3k s VAL 199 CO 0.18 -0.33 1.31 -2.84 -0.31 0.00 0.00 175.10 173.11 1b3k s PRO 200 N -3.40 3.98 -0.21 4.82 0.02 -1.26 -2.90 135.00 136.05 1b3k s PRO 200 Ca 0.29 2.17 -0.05 0.00 0.02 0.00 0.00 61.00 63.43 1b3k s PRO 200 Cb -0.06 -2.77 0.08 0.00 0.02 0.00 0.00 34.50 31.76 1b3k s PRO 200 CO 0.16 -0.49 0.12 -1.64 -0.33 0.00 0.00 177.00 174.82 1b3k s MET 201 N -2.23 0.11 0.93 5.54 -1.94 0.07 -2.36 119.30 119.42 1b3k s MET 201 Ca 0.57 -0.18 -0.12 0.00 -1.71 0.00 0.00 55.69 54.25 1b3k s MET 201 Cb -0.38 -1.57 0.15 0.00 2.01 0.00 0.00 34.83 35.04 1b3k s MET 201 CO 0.49 -0.77 1.11 0.00 -0.01 0.00 0.00 175.02 175.84 1b3k s MET 202 N 2.15 0.96 -0.28 2.03 0.23 -0.88 -3.04 119.30 120.46 1b3k s MET 202 Ca 0.04 0.51 -0.21 0.00 -1.03 0.00 0.00 55.69 55.00 1b3k s MET 202 Cb -0.16 -1.80 0.13 0.00 -1.53 0.00 0.00 34.83 31.47 1b3k s MET 202 CO -0.17 -2.37 0.99 0.00 -2.03 0.00 0.00 175.02 171.44 1b3k s ALA 203 N -3.07 -2.07 0.05 3.16 0.00 -1.26 -0.94 121.76 117.63 1b3k s ALA 203 Ca 0.64 2.02 0.01 0.00 0.00 0.00 0.00 51.96 54.63 1b3k s ALA 203 Cb -0.17 -1.53 -0.03 0.00 0.00 0.00 0.00 23.12 21.39 1b3k s ALA 203 CO 0.56 -0.28 -0.06 1.14 0.00 0.00 0.00 175.76 177.11 1b3k s GLN 204 N 0.69 0.58 -0.16 0.00 -2.07 -0.58 -4.49 119.66 113.62 1b3k s GLN 204 Ca -0.02 -0.93 -0.04 0.00 -1.82 0.00 0.00 55.36 52.56 1b3k s GLN 204 Cb -0.05 -0.16 -0.03 0.00 -1.09 0.00 0.00 33.01 31.69 1b3k s GLN 204 CO -0.10 0.00 -0.02 0.99 -1.32 0.00 0.00 175.29 174.84 1b3k s THR 205 N -2.21 4.04 0.08 3.63 2.01 -1.26 -0.34 115.64 121.59 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 -0.02 0.49 1.14 0.21 -0.69 0.00 0.00 174.62 175.75 1b3k s ASN 206 N 0.34 -0.07 -1.24 3.53 3.84 -0.83 -4.97 114.94 115.54 1b3k s ASN 206 Ca -0.03 -0.35 -0.12 0.00 0.21 0.00 0.00 52.86 52.57 1b3k s ASN 206 Cb -0.14 0.33 0.17 0.00 -0.55 0.00 0.00 41.25 41.06 1b3k s ASN 206 CO 0.02 -0.63 1.64 0.29 -2.79 0.00 0.00 177.10 175.63 1b3k n LYS 207 N -0.60 3.49 -1.98 0.43 5.02 -1.25 -1.36 118.16 121.92 1b3k n LYS 207 Ca -0.05 -3.71 -0.38 0.00 -2.02 0.00 0.00 58.31 52.16 1b3k n LYS 207 Cb 0.61 -2.98 0.02 0.00 -0.02 0.00 0.00 35.03 32.65 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 0.99 2.53 -0.47 2.13 0.40 -0.48 -3.51 117.98 119.57 1b3k s PHE 208 Ca 0.41 1.44 -0.28 0.00 -0.60 0.00 0.00 56.93 57.91 1b3k s PHE 208 Cb 0.03 -3.62 -0.01 0.00 0.51 0.00 0.00 43.02 39.93 1b3k s PHE 208 CO 0.00 -2.32 1.66 1.21 0.70 0.00 0.00 175.22 176.48 1b3k s ASN 209 N -1.13 5.87 0.26 1.36 2.47 -1.26 -0.83 114.94 121.68 1b3k s ASN 209 Ca 0.68 0.75 0.11 0.00 0.42 0.00 0.00 52.86 54.82 1b3k s ASN 209 Cb -0.35 -2.53 -0.05 0.00 -1.45 0.00 0.00 41.25 36.87 1b3k s ASN 209 CO 0.42 -1.82 -0.11 -0.47 -3.72 0.00 0.00 177.10 171.40 1b3k s TYR 210 N 6.97 2.48 -0.23 0.43 5.04 -0.65 -2.33 117.35 129.06 1b3k s TYR 210 Ca 0.67 -0.28 -0.27 0.00 -2.44 0.00 0.00 57.07 54.76 1b3k s TYR 210 Cb -0.16 -1.11 0.12 0.00 0.35 0.00 0.00 41.96 41.16 1b3k s TYR 210 CO 0.28 0.65 0.98 -0.08 -1.34 0.00 0.00 175.55 176.04 1b3k s THR 211 N -2.32 0.00 -0.10 4.34 -1.32 -0.74 -0.19 115.64 115.31 1b3k s THR 211 Ca 0.30 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.68 1b3k s THR 211 Cb -0.06 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.88 1b3k s THR 211 CO 0.17 0.00 0.21 -0.70 -2.21 0.00 0.00 174.62 172.09 1b3k s GLU 212 N -0.23 3.65 0.11 7.08 2.12 -1.26 -0.38 118.70 129.78 1b3k s GLU 212 Ca 0.01 -0.00 0.07 0.00 0.36 0.00 0.00 54.97 55.40 1b3k s GLU 212 Cb -0.03 -3.23 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 1b3k s GLU 212 CO -0.02 0.70 -0.17 0.12 -0.54 0.00 0.00 175.26 175.34 1b3k s PHE 213 N -0.86 1.57 -0.10 5.30 5.36 -0.29 -4.95 117.98 124.01 1b3k s PHE 213 Ca 0.17 -0.47 -0.00 0.00 -0.96 0.00 0.00 56.93 55.66 1b3k s PHE 213 Cb -0.13 -0.84 0.02 0.00 -0.34 0.00 0.00 43.02 41.74 1b3k s PHE 213 CO 0.06 0.18 -0.07 0.99 -1.46 0.00 0.00 175.22 174.92 1b3k s THR 214 N -1.60 0.92 0.54 0.12 2.01 -1.26 -0.68 115.64 115.69 1b3k s THR 214 Ca 0.07 -0.23 -0.20 0.00 0.31 0.00 0.00 61.69 61.64 1b3k s THR 214 Cb -0.08 -0.95 -0.06 0.00 0.01 0.00 0.00 72.50 71.43 1b3k s THR 214 CO 0.04 0.35 1.16 0.42 -0.69 0.00 0.00 174.62 175.89 1b3k s THR 215 N 1.66 3.00 -0.87 -0.82 -4.23 0.10 -4.80 115.64 109.69 1b3k s THR 215 Ca 0.03 0.65 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 1b3k s THR 215 Cb -0.13 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.44 1b3k s THR 215 CO -0.07 -0.11 0.00 -2.65 -0.54 0.00 0.00 174.62 171.25 1b3k n PRO 216 N -1.24 0.00 -1.17 3.99 -0.02 -1.26 -2.44 135.00 132.87 1b3k n PRO 216 Ca 0.11 0.00 0.02 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 33.10 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 0.19 0.49 0.00 2.55 5.75 -1.26 -5.01 116.55 119.25 1b3k n ASP 217 Ca 0.00 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 1b3k n ASP 217 Cb 0.00 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 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 0.31 0.60 3.41 6.12 0.00 -1.02 -5.06 105.19 109.54 1b3k n GLY 218 Ca 0.00 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.29 1.61 3.76 -1.25 -4.95 115.29 115.19 1b3k s HIS 219 Ca 0.00 -0.58 -0.07 0.00 -0.15 0.00 0.00 55.06 54.25 1b3k s HIS 219 Cb 0.00 -2.10 0.00 0.00 1.11 0.00 0.00 32.58 31.59 1b3k s HIS 219 CO 0.00 -0.34 0.08 0.71 -0.85 0.00 0.00 174.74 174.34 1b3k s TYR 220 N 1.19 3.13 0.31 1.40 1.51 -1.26 0.03 117.35 123.67 1b3k s TYR 220 Ca 0.03 -0.85 0.09 0.00 -1.01 0.00 0.00 57.07 55.33 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 0.01 -0.53 0.05 0.71 -1.11 0.00 0.00 175.55 174.68 1b3k s TYR 221 N 1.53 2.66 -0.17 2.71 1.51 0.14 -1.66 117.35 124.07 1b3k s TYR 221 Ca 0.04 -0.34 -0.06 0.00 -1.01 0.00 0.00 57.07 55.70 1b3k s TYR 221 Cb -0.17 -1.44 -0.04 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 0.00 175.55 174.46 1b3k s ASP 222 N -3.75 5.33 -0.19 2.29 1.01 0.15 -1.13 116.67 120.37 1b3k s ASP 222 Ca 0.35 0.01 -0.00 0.00 0.71 0.00 0.00 52.55 53.61 1b3k s ASP 222 Cb -0.03 -1.89 0.01 0.00 1.01 0.00 0.00 42.92 42.02 1b3k s ASP 222 CO 0.21 0.18 -0.16 -0.63 0.21 0.00 0.00 175.17 174.97 1b3k s ILE 223 N 0.34 2.38 0.34 0.77 -1.09 0.49 -1.80 121.20 122.64 1b3k s ILE 223 Ca 0.00 -0.83 0.09 0.00 -2.23 0.00 0.00 60.65 57.68 1b3k s ILE 223 Cb -0.13 -2.02 -0.05 0.00 -1.58 0.00 0.00 42.46 38.67 1b3k s ILE 223 CO 0.01 0.51 0.05 -0.76 -1.23 0.00 0.00 174.94 173.52 1b3k s LEU 224 N 1.30 3.04 -0.05 2.97 1.43 0.09 -1.79 118.68 125.67 1b3k s LEU 224 Ca 0.05 -0.96 -0.01 0.00 -1.03 0.00 0.00 54.13 52.18 1b3k s LEU 224 Cb -0.13 -1.42 0.03 0.00 0.03 0.00 0.00 46.19 44.69 1b3k s LEU 224 CO -0.10 -0.27 0.00 -0.70 0.23 0.00 0.00 176.35 175.51 1b3k s GLU 225 N -3.75 0.50 -0.35 1.70 2.12 -0.99 -2.16 118.70 115.77 1b3k s GLU 225 Ca 0.36 0.10 -0.04 0.00 0.36 0.00 0.00 54.97 55.75 1b3k s GLU 225 Cb -0.00 -0.79 0.07 0.00 0.26 0.00 0.00 34.13 33.66 1b3k s GLU 225 CO 0.20 -0.23 0.10 -0.51 -0.54 0.00 0.00 175.26 174.28 1b3k s LEU 226 N 1.62 4.51 0.20 2.70 1.43 0.17 -4.16 118.68 125.15 1b3k s LEU 226 Ca -0.01 -1.51 -0.30 0.00 -1.03 0.00 0.00 54.13 51.28 1b3k s LEU 226 Cb -0.13 -1.80 -0.08 0.00 0.03 0.00 0.00 46.19 44.21 1b3k s LEU 226 CO -0.03 -0.38 1.21 -2.16 0.23 0.00 0.00 176.35 175.22 1b3k s PRO 227 N 1.26 4.48 0.44 1.29 0.04 -1.26 -0.78 135.00 140.46 1b3k s PRO 227 Ca 0.00 1.92 -0.02 0.00 0.04 0.00 0.00 61.00 62.94 1b3k s PRO 227 Cb -0.21 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.08 1b3k s PRO 227 CO -0.01 -0.10 0.69 0.71 0.04 0.00 0.00 177.00 178.33 1b3k s TYR 228 N -0.17 3.47 0.24 0.56 2.02 0.68 -1.41 117.35 122.74 1b3k s TYR 228 Ca 0.53 0.55 -0.20 0.00 -0.37 0.00 0.00 57.07 57.57 1b3k s TYR 228 Cb -0.34 -2.18 -0.13 0.00 -0.40 0.00 0.00 41.96 38.91 1b3k s TYR 228 CO 0.38 -0.18 0.26 -2.39 -1.57 0.00 0.00 175.55 172.05 1b3k n HIS 229 N -2.08 -1.01 -1.21 2.71 1.44 0.22 -0.94 115.22 114.34 1b3k n HIS 229 Ca -0.01 0.66 -0.07 0.00 -2.01 0.00 0.00 57.72 56.29 1b3k n HIS 229 Cb 0.56 -1.54 -0.03 0.00 0.12 0.00 0.00 29.99 29.10 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 1.76 0.70 2.05 -1.39 0.00 -1.26 -2.96 105.19 104.09 1b3k n GLY 230 Ca 0.12 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.10 -3.06 0.43 1.61 9.92 -0.12 -4.79 116.55 119.44 1b3k n ASP 231 Ca -0.07 0.21 -0.17 0.00 -0.53 0.00 0.00 54.79 54.22 1b3k n ASP 231 Cb 0.56 -2.68 -0.08 0.00 -0.64 0.00 0.00 41.12 38.27 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 -3.06 -3.53 2.02 -1.66 -3.45 112.91 103.23 1b3k h THR 232 Ca -0.17 -0.15 -0.62 0.00 0.77 0.00 0.00 66.41 66.24 1b3k h THR 232 Cb 0.69 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.01 1b3k h THR 232 CO 0.25 0.00 -0.61 -0.76 0.37 0.00 0.00 175.52 174.78 1b3k s LEU 233 N -9.58 3.70 0.01 2.58 1.43 -1.26 -1.90 118.68 113.66 1b3k s LEU 233 Ca -0.16 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 1b3k s LEU 233 Cb 0.02 -2.37 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 1b3k s LEU 233 CO 0.49 0.14 -0.09 -0.44 0.23 0.00 0.00 176.35 176.68 1b3k s SER 234 N -2.61 1.05 -0.29 2.29 0.01 -0.95 -0.23 113.70 112.97 1b3k s SER 234 Ca 0.29 -0.25 -0.09 0.00 1.31 0.00 0.00 55.95 57.21 1b3k s SER 234 Cb -0.11 -0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.01 1b3k s SER 234 CO 0.21 0.05 0.14 -0.32 0.41 0.00 0.00 173.24 173.73 1b3k s MET 235 N -0.51 3.55 -0.17 12.44 1.75 0.04 -1.51 119.30 134.89 1b3k s MET 235 Ca 0.01 -0.57 -0.06 0.00 -1.25 0.00 0.00 55.69 53.82 1b3k s MET 235 Cb -0.05 -3.52 -0.04 0.00 2.84 0.00 0.00 34.83 34.06 1b3k s MET 235 CO 0.00 -0.31 0.03 -0.06 -0.65 0.00 0.00 175.02 174.03 1b3k s PHE 236 N 1.65 3.17 -0.12 4.11 0.40 0.19 0.46 117.98 127.84 1b3k s PHE 236 Ca 0.06 -0.05 0.03 0.00 -0.60 0.00 0.00 56.93 56.37 1b3k s PHE 236 Cb -0.16 -2.03 0.00 0.00 0.51 0.00 0.00 43.02 41.34 1b3k s PHE 236 CO 0.07 0.11 -0.22 0.42 0.70 0.00 0.00 175.22 176.29 1b3k s ILE 237 N 0.31 2.15 -0.06 0.64 1.01 -0.92 -0.56 121.20 123.76 1b3k s ILE 237 Ca 0.01 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.71 1b3k s ILE 237 Cb -0.13 -1.84 0.01 0.00 0.01 0.00 0.00 42.46 40.51 1b3k s ILE 237 CO 0.01 0.55 -0.11 0.00 0.00 0.00 0.00 174.94 175.39 1b3k s ALA 238 N 0.55 1.19 -0.08 9.38 0.00 0.40 -0.73 121.76 132.47 1b3k s ALA 238 Ca -0.13 -0.37 -0.11 0.00 0.00 0.00 0.00 51.96 51.34 1b3k s ALA 238 Cb -0.17 -0.55 0.03 0.00 0.00 0.00 0.00 23.12 22.43 1b3k s ALA 238 CO 0.04 0.10 0.29 0.00 0.00 0.00 0.00 175.76 176.19 1b3k s ALA 239 N 0.69 -0.72 0.82 0.00 0.00 -0.74 -0.45 121.76 121.36 1b3k s ALA 239 Ca -0.14 0.65 -0.11 0.00 0.00 0.00 0.00 51.96 52.36 1b3k s ALA 239 Cb -0.16 -0.32 0.09 0.00 0.00 0.00 0.00 23.12 22.74 1b3k s ALA 239 CO 0.03 -0.17 1.13 -1.25 0.00 0.00 0.00 175.76 175.50 1b3k s PRO 240 N -0.30 1.73 -0.00 0.00 0.04 -1.26 0.29 135.00 135.50 1b3k s PRO 240 Ca -0.04 1.42 -0.01 0.00 0.04 0.00 0.00 61.00 62.41 1b3k s PRO 240 Cb -0.03 -1.82 -0.00 0.00 0.04 0.00 0.00 34.50 32.69 1b3k s PRO 240 CO 0.01 -2.08 0.57 1.88 0.04 0.00 0.00 177.00 177.43 1b3k h TYR 241 N -1.29 -0.02 -3.59 0.56 -1.99 -1.66 -3.44 116.97 105.53 1b3k h TYR 241 Ca -0.44 -0.00 -0.42 0.00 2.00 0.00 0.00 58.73 59.87 1b3k h TYR 241 Cb 1.26 0.01 0.19 0.00 2.00 0.00 0.00 36.73 40.18 1b3k h TYR 241 CO 0.53 -0.01 0.22 -1.21 -0.00 0.00 0.00 178.16 177.68 1b3k s GLU 242 N -2.19 -0.91 0.00 4.88 0.41 -1.26 -5.09 118.70 114.54 1b3k s GLU 242 Ca -0.00 -0.27 0.00 0.00 -0.41 0.00 0.00 54.97 54.29 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 0.01 -3.47 0.00 1.63 -0.49 0.00 0.00 175.26 172.94 1b3k n LYS 243 N -4.55 2.73 0.00 1.61 5.02 -1.26 -4.50 118.16 117.22 1b3k n LYS 243 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 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 -0.86 1.97 -0.58 -1.26 -4.81 120.64 115.10 1b3k n GLU 244 Ca 0.00 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.33 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 -1.73 2.62 0.31 -1.26 -4.77 118.33 113.51 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 -0.34 -0.03 0.00 -0.91 0.00 0.00 33.84 32.56 1b3k n VAL 245 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1b3k s PRO 246 N 4.15 4.14 0.40 5.55 0.02 -1.26 -4.78 135.00 143.22 1b3k s PRO 246 Ca 0.83 2.57 0.27 0.00 0.02 0.00 0.00 61.00 64.69 1b3k s PRO 246 Cb -1.03 -3.72 1.45 0.00 0.02 0.00 0.00 34.50 31.21 1b3k s PRO 246 CO 0.45 -0.86 1.81 1.25 -0.33 0.00 0.00 177.00 179.33 1b3k h LEU 247 N 9.05 0.00 0.16 -5.54 5.85 -1.92 -2.21 115.31 120.70 1b3k h LEU 247 Ca -0.46 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.26 1b3k h LEU 247 Cb 1.22 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.21 1b3k h LEU 247 CO 0.95 0.00 -0.45 -1.28 -0.34 0.00 0.00 178.44 177.31 1b3k h SER 248 N 0.00 -1.34 -0.47 1.25 0.87 -1.98 -3.18 113.55 108.70 1b3k h SER 248 Ca 0.00 0.14 0.10 0.00 -1.23 0.00 0.00 61.79 60.79 1b3k h SER 248 Cb 0.04 0.49 -0.09 0.00 -0.44 0.00 0.00 62.40 62.39 1b3k h SER 248 CO 0.00 -0.49 -0.10 0.00 -0.53 0.00 0.00 176.83 175.70 1b3k n ALA 249 N -2.84 0.13 0.12 6.23 0.00 -0.83 -1.35 120.51 121.97 1b3k n ALA 249 Ca -0.08 0.52 -0.05 0.00 0.00 0.00 0.00 53.44 53.83 1b3k n ALA 249 Cb 0.36 -0.32 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.27 -0.68 0.00 5.85 -1.76 -3.16 115.31 115.28 1b3k h LEU 250 Ca 0.23 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1b3k h LEU 250 Cb 0.37 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1b3k h LEU 250 CO -0.48 -0.17 0.67 0.71 -0.34 0.00 0.00 178.44 178.83 1b3k h THR 251 N -0.35 0.00 0.00 1.05 1.35 -1.32 0.29 112.91 113.93 1b3k h THR 251 Ca -0.03 0.00 -0.19 0.00 -0.55 0.00 0.00 66.41 65.64 1b3k h THR 251 Cb 0.24 0.23 -0.01 0.00 -1.73 0.00 0.00 68.15 66.88 1b3k h THR 251 CO 0.05 0.00 -0.86 0.78 -0.25 0.00 0.00 175.52 175.24 1b3k h ASN 252 N 0.00 0.22 -0.07 5.36 2.35 -1.46 -3.23 115.58 118.76 1b3k h ASN 252 Ca 0.00 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 1b3k h ASN 252 Cb 1.34 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.64 1b3k h ASN 252 CO 0.00 0.98 -0.09 2.30 -1.65 0.00 0.00 177.43 178.97 1b3k n ILE 253 N -3.65 2.05 -2.33 2.81 -6.64 0.03 -4.99 119.36 106.63 1b3k n ILE 253 Ca -0.03 -2.40 -0.43 0.00 -1.77 0.00 0.00 62.75 58.13 1b3k n ILE 253 Cb 0.80 -0.25 -0.02 0.00 -1.44 0.00 0.00 39.64 38.73 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 4.05 0.19 7.28 2.96 -0.80 -4.87 118.68 124.54 1b3k s LEU 254 Ca 0.35 1.58 0.01 0.00 -0.22 0.00 0.00 54.13 55.86 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 -0.96 0.03 -0.44 -1.32 0.00 0.00 176.35 173.68 1b3k s SER 255 N 2.74 1.10 0.47 3.68 0.01 -1.26 -4.85 113.70 115.59 1b3k s SER 255 Ca 0.60 -1.22 0.13 0.00 1.31 0.00 0.00 55.95 56.76 1b3k s SER 255 Cb -0.22 0.15 1.08 0.00 0.21 0.00 0.00 66.02 67.24 1b3k s SER 255 CO 0.21 -0.62 2.09 0.00 0.41 0.00 0.00 173.24 175.33 1b3k h ALA 256 N 2.65 1.91 0.37 1.44 0.00 -1.91 -1.90 119.26 121.81 1b3k h ALA 256 Ca -0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1b3k h ALA 256 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1b3k h ALA 256 CO 0.62 0.06 -0.18 0.37 0.00 0.00 0.00 179.25 180.12 1b3k h GLN 257 N 0.27 -0.48 -0.95 0.00 5.75 -1.95 -3.24 115.11 114.50 1b3k h GLN 257 Ca 0.10 0.03 0.23 0.00 -0.15 0.00 0.00 58.65 58.86 1b3k h GLN 257 Cb 0.08 0.11 -0.18 0.00 1.07 0.00 0.00 27.48 28.56 1b3k h GLN 257 CO -0.02 -0.16 -0.08 1.25 -2.65 0.00 0.00 178.83 177.17 1b3k h LEU 258 N -0.89 -0.63 0.06 -2.39 5.85 -1.68 0.26 115.31 115.89 1b3k h LEU 258 Ca -0.05 0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.96 1b3k h LEU 258 Cb 0.54 0.52 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1b3k h LEU 258 CO 0.08 -0.32 -0.14 0.40 -0.34 0.00 0.00 178.44 178.12 1b3k h ILE 259 N 0.02 0.67 -0.02 4.05 2.04 -1.59 0.15 117.51 122.83 1b3k h ILE 259 Ca 0.53 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.39 1b3k h ILE 259 Cb 0.97 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1b3k h ILE 259 CO -0.92 0.00 0.17 0.28 0.00 0.00 0.00 178.15 177.68 1b3k h SER 260 N -0.26 0.00 0.35 1.72 0.02 -0.55 0.17 113.55 114.99 1b3k h SER 260 Ca 0.03 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.66 1b3k h SER 260 Cb 0.29 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 1b3k h SER 260 CO -0.09 0.00 -1.63 -0.74 -1.14 0.00 0.00 176.83 173.23 1b3k h HIS 261 N 0.00 0.53 0.05 3.45 -0.00 0.14 -2.16 115.15 117.15 1b3k h HIS 261 Ca 0.01 -0.39 -0.00 0.00 -0.00 0.00 0.00 60.37 59.99 1b3k h HIS 261 Cb 0.35 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.74 1b3k h HIS 261 CO 0.00 1.48 -0.02 -1.49 -0.00 0.00 0.00 177.93 177.90 1b3k h TRP 262 N 0.08 -0.06 0.00 5.26 6.55 0.18 0.19 115.95 128.15 1b3k h TRP 262 Ca -0.29 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.55 1b3k h TRP 262 Cb 2.05 0.02 0.00 0.00 -0.86 0.00 0.00 29.16 30.37 1b3k h TRP 262 CO 0.07 0.17 0.02 1.17 -1.05 0.00 0.00 178.44 178.83 1b3k n LYS 263 N -5.01 0.03 0.00 0.49 4.81 0.24 -2.90 118.16 115.82 1b3k n LYS 263 Ca -0.08 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 1b3k n LYS 263 Cb 0.15 -1.63 0.00 0.00 0.02 0.00 0.00 35.03 33.56 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 -1.43 -1.84 2.25 3.14 0.00 0.68 -4.19 105.19 103.79 1b3k n GLY 264 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.57 7.48 -4.90 1.61 6.94 -1.14 -4.99 115.26 118.68 1b3k n ASN 265 Ca 0.00 -3.66 -0.28 0.00 -0.02 0.00 0.00 54.58 50.62 1b3k n ASN 265 Cb 0.00 -0.99 0.01 0.00 -2.36 0.00 0.00 39.78 36.44 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 -3.47 3.38 -0.16 -3.83 -1.94 -1.20 -4.79 119.30 107.29 1b3k s MET 266 Ca 0.59 0.31 -0.07 0.00 -1.71 0.00 0.00 55.69 54.80 1b3k s MET 266 Cb 0.46 -2.26 0.07 0.00 2.01 0.00 0.00 34.83 35.11 1b3k s MET 266 CO -0.01 -0.45 0.36 0.95 -0.01 0.00 0.00 175.02 175.86 1b3k s THR 267 N -2.94 -0.27 -0.03 2.05 -4.23 0.73 -4.86 115.64 106.09 1b3k s THR 267 Ca 0.51 0.16 -0.33 0.00 -1.18 0.00 0.00 61.69 60.85 1b3k s THR 267 Cb -0.11 -0.56 -0.11 0.00 1.34 0.00 0.00 72.50 73.06 1b3k s THR 267 CO 0.48 0.07 1.88 0.54 -0.54 0.00 0.00 174.62 177.04 1b3k n ARG 268 N 4.77 2.36 -4.01 3.99 1.74 -1.26 -1.64 116.66 122.62 1b3k n ARG 268 Ca -0.16 0.86 -0.13 0.00 -0.77 0.00 0.00 57.85 57.65 1b3k n ARG 268 Cb 0.52 -2.73 -0.13 0.00 -1.02 0.00 0.00 32.46 29.10 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 3.89 2.10 0.03 0.55 1.43 -0.01 -4.88 118.68 121.79 1b3k s LEU 269 Ca 0.90 -0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 53.48 1b3k s LEU 269 Cb -0.62 -0.08 -0.07 0.00 0.03 0.00 0.00 46.19 45.45 1b3k s LEU 269 CO 0.48 -0.08 1.51 -2.16 0.23 0.00 0.00 176.35 176.33 1b3k s PRO 270 N -0.60 4.24 0.11 1.29 0.04 -1.26 -1.39 135.00 137.43 1b3k s PRO 270 Ca -0.04 2.12 -0.25 0.00 0.04 0.00 0.00 61.00 62.86 1b3k s PRO 270 Cb -0.04 -3.60 0.07 0.00 0.04 0.00 0.00 34.50 30.97 1b3k s PRO 270 CO -0.00 -0.65 0.63 1.03 0.04 0.00 0.00 177.00 178.04 1b3k s ARG 271 N 2.56 1.22 -0.44 4.56 0.52 -0.46 -4.28 118.95 122.62 1b3k s ARG 271 Ca 0.68 -0.29 -0.19 0.00 -0.52 0.00 0.00 55.73 55.41 1b3k s ARG 271 Cb -0.35 0.56 0.03 0.00 0.52 0.00 0.00 34.95 35.71 1b3k s ARG 271 CO 0.29 -0.50 0.53 -1.17 0.02 0.00 0.00 175.30 174.46 1b3k s LEU 272 N -2.37 4.77 -0.23 2.53 2.96 -0.93 -1.97 118.68 123.44 1b3k s LEU 272 Ca -0.02 -0.60 -0.16 0.00 -0.22 0.00 0.00 54.13 53.14 1b3k s LEU 272 Cb -0.01 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 1b3k s LEU 272 CO -0.07 -0.68 0.41 -0.22 -1.32 0.00 0.00 176.35 174.47 1b3k s LEU 273 N 2.41 4.11 -0.30 -0.68 2.96 0.53 -0.42 118.68 127.28 1b3k s LEU 273 Ca 0.16 0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 54.49 1b3k s LEU 273 Cb -0.16 -2.52 0.04 0.00 0.50 0.00 0.00 46.19 44.05 1b3k s LEU 273 CO 0.15 -0.14 0.02 -0.69 -1.32 0.00 0.00 176.35 174.37 1b3k s VAL 274 N 1.69 3.23 -0.13 1.68 1.01 -0.17 -1.53 120.40 126.17 1b3k s VAL 274 Ca 0.18 -1.25 -0.00 0.00 0.00 0.00 0.00 61.98 60.91 1b3k s VAL 274 Cb -0.15 -2.82 0.03 0.00 0.00 0.00 0.00 36.38 33.44 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 1.31 1.33 0.37 3.92 2.96 -0.12 -1.47 118.68 126.98 1b3k s LEU 275 Ca -0.03 -0.42 -0.28 0.00 -0.22 0.00 0.00 54.13 53.18 1b3k s LEU 275 Cb -0.19 -0.88 -0.11 0.00 0.50 0.00 0.00 46.19 45.51 1b3k s LEU 275 CO -0.00 -0.13 1.46 -0.81 -1.32 0.00 0.00 176.35 175.55 1b3k n PRO 276 N 4.92 2.60 -2.23 0.98 -0.04 -1.26 -2.08 135.00 137.89 1b3k n PRO 276 Ca -0.13 0.91 -0.33 0.00 -0.04 0.00 0.00 63.50 63.91 1b3k n PRO 276 Cb 0.49 -2.62 -0.01 0.00 -0.04 0.00 0.00 33.50 31.33 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 -2.04 3.48 -0.28 0.54 1.02 -1.00 -4.83 119.74 116.64 1b3k s LYS 277 Ca 0.54 1.28 -0.18 0.00 0.02 0.00 0.00 55.97 57.63 1b3k s LYS 277 Cb -0.49 -2.05 0.12 0.00 -0.52 0.00 0.00 37.83 34.89 1b3k s LYS 277 CO 0.63 -0.68 0.90 -0.59 -0.92 0.00 0.00 175.35 174.69 1b3k s PHE 278 N -2.25 -0.69 -0.25 3.18 -0.12 -0.75 -4.86 117.98 112.25 1b3k s PHE 278 Ca 0.65 1.44 0.01 0.00 -0.05 0.00 0.00 56.93 58.98 1b3k s PHE 278 Cb -0.17 0.41 0.07 0.00 -0.63 0.00 0.00 43.02 42.71 1b3k s PHE 278 CO 0.30 -0.34 -0.03 -1.12 -0.05 0.00 0.00 175.22 173.99 1b3k s SER 279 N 1.12 3.97 0.26 1.98 0.01 -1.26 -1.19 113.70 118.60 1b3k s SER 279 Ca -0.06 -1.32 0.09 0.00 1.31 0.00 0.00 55.95 55.96 1b3k s SER 279 Cb -0.04 -1.20 -0.04 0.00 0.21 0.00 0.00 66.02 64.94 1b3k s SER 279 CO -0.13 -0.27 0.06 -0.76 0.41 0.00 0.00 173.24 172.55 1b3k s LEU 280 N 1.36 3.38 -0.01 2.44 1.43 -0.30 -4.97 118.68 122.01 1b3k s LEU 280 Ca -0.03 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1b3k s LEU 280 Cb -0.19 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.14 1b3k s LEU 280 CO -0.08 -0.02 0.01 -0.70 0.23 0.00 0.00 176.35 175.79 1b3k s GLU 281 N -3.73 -0.01 -0.03 1.70 2.12 -1.26 -1.10 118.70 116.39 1b3k s GLU 281 Ca 0.32 0.05 -0.07 0.00 0.36 0.00 0.00 54.97 55.63 1b3k s GLU 281 Cb -0.07 -0.07 0.01 0.00 0.26 0.00 0.00 34.13 34.26 1b3k s GLU 281 CO 0.21 -0.05 0.17 0.99 -0.54 0.00 0.00 175.26 176.05 1b3k s THR 282 N 0.29 0.04 -0.12 -1.70 2.01 -0.75 -4.79 115.64 110.63 1b3k s THR 282 Ca -0.02 -0.32 -0.04 0.00 0.31 0.00 0.00 61.69 61.62 1b3k s THR 282 Cb -0.04 -0.35 0.05 0.00 0.01 0.00 0.00 72.50 72.18 1b3k s THR 282 CO -0.01 -0.18 0.09 -0.70 -0.69 0.00 0.00 174.62 173.14 1b3k s GLU 283 N -0.61 0.01 -0.01 4.92 2.12 -1.26 -0.49 118.70 123.39 1b3k s GLU 283 Ca -0.07 0.17 0.03 0.00 0.36 0.00 0.00 54.97 55.46 1b3k s GLU 283 Cb -0.04 -1.16 -0.03 0.00 0.26 0.00 0.00 34.13 33.16 1b3k s GLU 283 CO 0.01 -0.51 -0.07 0.14 -0.54 0.00 0.00 175.26 174.29 1b3k s VAL 284 N 2.18 3.66 -0.98 3.70 -7.23 -0.28 -4.98 120.40 116.46 1b3k s VAL 284 Ca 0.04 -0.73 -0.15 0.00 -1.81 0.00 0.00 61.98 59.33 1b3k s VAL 284 Cb -0.14 -2.58 0.19 0.00 0.56 0.00 0.00 36.38 34.42 1b3k s VAL 284 CO -0.07 0.43 1.06 -0.62 -0.31 0.00 0.00 175.10 175.59 1b3k s ASP 285 N -1.32 6.87 0.00 4.85 2.15 -1.26 -2.40 116.67 125.56 1b3k s ASP 285 Ca 0.16 -2.68 0.00 0.00 0.43 0.00 0.00 52.55 50.46 1b3k s ASP 285 Cb -0.11 -2.31 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1b3k s ASP 285 CO 0.07 -0.72 0.21 0.18 -0.17 0.00 0.00 175.17 174.74 1b3k n LEU 286 N 4.91 0.00 0.33 -1.34 4.77 -0.89 -3.62 117.00 121.15 1b3k n LEU 286 Ca 0.23 0.02 -0.17 0.00 -0.03 0.00 0.00 56.01 56.06 1b3k n LEU 286 Cb 0.46 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.44 1b3k n LEU 286 CO 0.46 -0.02 0.53 -0.09 -1.33 0.00 0.00 177.39 176.94 1b3k h ARG 287 N 0.00 -0.95 -0.18 3.23 1.12 -1.90 -0.90 114.38 114.79 1b3k h ARG 287 Ca 0.00 0.06 -0.04 0.00 -1.11 0.00 0.00 59.98 58.90 1b3k h ARG 287 Cb 0.21 0.22 -0.01 0.00 -0.01 0.00 0.00 29.97 30.39 1b3k h ARG 287 CO 0.00 -0.63 -0.04 -0.22 -3.11 0.00 0.00 179.97 175.97 1b3k h LYS 288 N -0.99 0.34 -0.92 0.20 3.64 -1.97 -2.19 116.57 114.68 1b3k h LYS 288 Ca -0.08 -0.13 0.17 0.00 -1.27 0.00 0.00 60.65 59.34 1b3k h LYS 288 Cb 0.82 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.54 1b3k h LYS 288 CO 0.03 0.60 0.59 -1.35 -2.27 0.00 0.00 179.45 177.05 1b3k h PRO 289 N 0.06 0.62 0.01 1.90 0.11 -1.79 -0.26 132.00 132.64 1b3k h PRO 289 Ca 0.05 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 65.92 1b3k h PRO 289 Cb 0.47 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1b3k h PRO 289 CO 0.02 0.41 -0.90 -0.07 -0.21 0.00 0.00 178.00 177.25 1b3k h LEU 290 N 0.64 0.26 -0.58 2.35 3.38 -1.04 -3.16 115.31 117.16 1b3k h LEU 290 Ca 0.48 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 58.13 1b3k h LEU 290 Cb 0.87 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1b3k h LEU 290 CO -0.23 1.03 -0.07 -0.33 0.09 0.00 0.00 178.44 178.93 1b3k h GLU 291 N 0.10 1.06 0.00 1.13 5.08 -0.52 -2.09 114.58 119.35 1b3k h GLU 291 Ca -0.05 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1b3k h GLU 291 Cb 1.54 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.71 1b3k h GLU 291 CO 0.14 1.07 -0.01 -0.91 -1.00 0.00 0.00 179.01 178.31 1b3k h ASN 292 N 0.95 0.00 -0.64 1.42 -0.26 -1.10 0.13 115.58 116.08 1b3k h ASN 292 Ca 0.15 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 1b3k h ASN 292 Cb 0.64 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.90 1b3k h ASN 292 CO 0.04 0.01 0.00 0.18 -1.06 0.00 0.00 177.43 176.60 1b3k n LEU 293 N -3.18 4.04 0.00 1.61 4.77 -0.83 -4.95 117.00 118.45 1b3k n LEU 293 Ca -0.02 -2.03 0.00 0.00 -0.03 0.00 0.00 56.01 53.92 1b3k n LEU 293 Cb 0.11 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1b3k n LEU 293 CO 0.22 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 1b3k n GLY 294 N 1.33 3.01 3.57 -0.72 0.00 0.46 -4.73 105.19 108.11 1b3k n GLY 294 Ca 0.23 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 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 2.12 -0.08 1.61 -1.94 -0.94 -4.54 119.30 115.52 1b3k s MET 295 Ca 0.00 -0.50 0.08 0.00 -1.71 0.00 0.00 55.69 53.56 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 -4.17 0.04 0.25 -0.01 0.00 0.00 175.02 171.13 1b3k n THR 296 N 8.22 0.58 -0.32 2.05 -2.24 -1.26 -3.46 114.28 117.85 1b3k n THR 296 Ca 0.43 -0.37 -0.01 0.00 -2.27 0.00 0.00 64.05 61.83 1b3k n THR 296 Cb 0.46 -0.71 0.12 0.00 -2.10 0.00 0.00 70.33 68.10 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 0.91 -0.95 3.42 5.19 -1.91 -2.45 116.42 120.64 1b3k h ASP 297 Ca -0.23 0.00 0.26 0.00 -0.62 0.00 0.00 57.03 56.45 1b3k h ASP 297 Cb 1.49 -0.20 -0.05 0.00 0.18 0.00 0.00 39.33 40.76 1b3k h ASP 297 CO 0.01 0.62 0.67 0.00 -3.12 0.00 0.00 179.24 177.42 1b3k h MET 298 N 1.06 0.07 -0.00 3.56 -0.00 -1.88 0.86 114.93 118.60 1b3k h MET 298 Ca 0.36 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.05 1b3k h MET 298 Cb 0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 31.64 1b3k h MET 298 CO -0.13 0.05 -0.68 1.19 -0.00 0.00 0.00 176.91 177.34 1b3k n PHE 299 N -4.31 0.00 -3.30 -0.10 3.01 -0.93 -1.01 117.46 110.82 1b3k n PHE 299 Ca 0.20 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.27 1b3k n PHE 299 Cb 0.96 -0.15 -0.07 0.00 -0.01 0.00 0.00 39.48 40.21 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 -2.98 4.16 0.26 -1.08 6.06 0.26 -4.82 118.95 120.82 1b3k s ARG 300 Ca 0.10 0.31 -0.01 0.00 -2.50 0.00 0.00 55.73 53.63 1b3k s ARG 300 Cb 0.17 -3.57 0.54 0.00 0.06 0.00 0.00 34.95 32.16 1b3k s ARG 300 CO 0.76 -0.13 1.74 0.37 -2.50 0.00 0.00 175.30 175.54 1b3k h GLN 301 N 7.52 0.53 -0.51 5.12 4.15 -1.89 0.26 115.11 130.29 1b3k h GLN 301 Ca -0.34 -0.03 -0.23 0.00 0.77 0.00 0.00 58.65 58.82 1b3k h GLN 301 Cb 1.16 -0.12 -0.14 0.00 0.21 0.00 0.00 27.48 28.59 1b3k h GLN 301 CO 0.72 0.35 0.12 1.19 -1.93 0.00 0.00 178.83 179.28 1b3k n PHE 302 N -4.93 1.61 0.00 3.99 3.72 -1.26 -4.40 117.46 116.19 1b3k n PHE 302 Ca 0.17 -1.53 0.00 0.00 -0.05 0.00 0.00 57.45 56.04 1b3k n PHE 302 Cb 0.46 -0.58 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 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 -0.97 1.64 -1.74 -1.08 6.02 -0.97 -5.08 117.38 115.19 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 1.19 -0.60 0.03 0.00 1.02 0.00 0.00 30.24 31.88 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 -0.71 1.68 -3.71 -1.58 0.00 0.89 -4.70 120.51 112.37 1b3k n ALA 304 Ca 0.00 0.17 -0.30 0.00 0.00 0.00 0.00 53.44 53.31 1b3k n ALA 304 Cb 0.08 -2.36 -0.14 0.00 0.00 0.00 0.00 19.45 17.03 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 -0.77 3.87 -0.32 0.00 -1.08 -1.26 -4.81 116.67 112.31 1b3k s ASP 305 Ca 0.68 -1.92 0.07 0.00 -0.52 0.00 0.00 52.55 50.87 1b3k s ASP 305 Cb -0.43 -0.88 0.47 0.00 -1.46 0.00 0.00 42.92 40.62 1b3k s ASP 305 CO 0.52 -0.37 1.40 0.49 0.52 0.00 0.00 175.17 177.73 1b3k n PHE 306 N 4.48 1.61 0.31 -5.34 3.01 -1.26 -1.38 117.46 118.88 1b3k n PHE 306 Ca 0.02 -1.92 0.19 0.00 1.01 0.00 0.00 57.45 56.75 1b3k n PHE 306 Cb 0.40 -0.51 1.03 0.00 -0.01 0.00 0.00 39.48 40.39 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 1.35 0.16 0.00 4.37 1.35 -1.78 0.27 112.91 118.63 1b3k h THR 307 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.13 1b3k h THR 307 Cb 1.43 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1b3k h THR 307 CO 0.55 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.62 1b3k n SER 308 N -3.29 0.76 -0.09 5.36 7.64 -1.21 -3.33 113.62 119.46 1b3k n SER 308 Ca -0.02 0.64 -0.17 0.00 1.01 0.00 0.00 58.87 60.33 1b3k n SER 308 Cb 0.18 -0.82 -0.07 0.00 -1.01 0.00 0.00 64.21 62.50 1b3k n SER 308 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1b3k n LEU 309 N -2.28 1.79 -3.29 -3.43 7.94 0.80 -4.74 117.00 113.79 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 0.31 -0.55 -0.05 0.00 0.53 0.00 0.00 43.42 43.66 1b3k n LEU 309 CO 0.24 0.50 -0.04 -0.55 -1.11 0.00 0.00 177.39 176.43 1b3k s SER 310 N -6.33 -0.03 0.00 1.96 0.15 -0.38 -0.28 113.70 108.78 1b3k s SER 310 Ca -0.25 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 55.39 1b3k s SER 310 Cb 0.09 1.21 0.00 0.00 -1.71 0.00 0.00 66.02 65.61 1b3k s SER 310 CO 0.34 -0.25 0.58 -0.90 1.20 0.00 0.00 173.24 174.22 1b3k n ASP 311 N 4.55 1.59 0.00 5.45 5.68 -1.21 -4.44 116.55 128.17 1b3k n ASP 311 Ca 0.09 -1.49 0.00 0.00 -0.50 0.00 0.00 54.79 52.89 1b3k n ASP 311 Cb 0.50 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 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 0.41 0.00 -1.53 0.11 7.27 -1.26 -5.03 117.38 117.36 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 0.29 0.00 0.03 0.00 2.41 0.00 0.00 30.24 32.97 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 0.76 -1.92 3.69 2.13 -1.26 -4.83 120.64 119.20 1b3k n GLU 313 Ca 0.00 0.29 -0.42 0.00 0.66 0.00 0.00 57.16 57.68 1b3k n GLU 313 Cb 0.00 -1.84 -0.03 0.00 0.27 0.00 0.00 31.44 29.84 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 -2.16 3.92 0.48 5.31 0.02 -1.26 -4.98 135.00 136.32 1b3k s PRO 314 Ca 0.69 2.10 0.08 0.00 0.02 0.00 0.00 61.00 63.88 1b3k s PRO 314 Cb -0.48 -4.09 0.02 0.00 0.02 0.00 0.00 34.50 29.98 1b3k s PRO 314 CO 0.53 -1.17 0.54 -0.51 -0.33 0.00 0.00 177.00 176.07 1b3k s LEU 315 N 5.03 3.30 0.00 -5.54 1.43 -1.26 -5.08 118.68 116.56 1b3k s LEU 315 Ca 0.79 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1b3k s LEU 315 Cb -0.33 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 43.90 1b3k s LEU 315 CO 0.33 -0.92 0.00 0.00 0.23 0.00 0.00 176.35 175.98 1b3k n HIS 316 N -1.84 0.00 -1.66 0.29 1.44 -1.26 -4.61 115.22 107.57 1b3k n HIS 316 Ca 0.07 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.37 1b3k n HIS 316 Cb 0.61 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.69 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 -1.41 3.08 -1.59 0.61 1.01 -0.18 -3.80 120.40 118.12 1b3k s VAL 317 Ca 0.00 0.08 0.27 0.00 0.00 0.00 0.00 61.98 62.33 1b3k s VAL 317 Cb 0.00 -3.13 0.32 0.00 0.00 0.00 0.00 36.38 33.56 1b3k s VAL 317 CO 0.00 -0.10 1.69 0.00 0.00 0.00 0.00 175.10 176.69 1b3k n ALA 318 N 12.71 2.96 -3.16 5.51 0.00 0.11 -4.55 120.51 134.08 1b3k n ALA 318 Ca 0.30 -0.33 0.05 0.00 0.00 0.00 0.00 53.44 53.47 1b3k n ALA 318 Cb 0.48 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 1b3k n ALA 318 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1b3k s LEU 319 N -2.57 -0.05 -0.11 0.00 2.96 -1.22 -5.02 118.68 112.68 1b3k s LEU 319 Ca 0.24 0.05 -0.00 0.00 -0.22 0.00 0.00 54.13 54.20 1b3k s LEU 319 Cb 0.19 1.05 0.02 0.00 0.50 0.00 0.00 46.19 47.96 1b3k s LEU 319 CO 0.52 -0.01 -0.07 0.00 -1.32 0.00 0.00 176.35 175.47 1b3k s ALA 320 N 2.51 1.23 0.16 5.97 0.00 -1.26 -0.47 121.76 129.90 1b3k s ALA 320 Ca -0.05 -0.48 -0.10 0.00 0.00 0.00 0.00 51.96 51.33 1b3k s ALA 320 Cb -0.04 -0.87 -0.00 0.00 0.00 0.00 0.00 23.12 22.20 1b3k s ALA 320 CO -0.11 -0.40 0.30 -0.48 0.00 0.00 0.00 175.76 175.07 1b3k s LEU 321 N 1.70 0.89 -0.01 0.00 2.34 -0.92 -2.10 118.68 120.59 1b3k s LEU 321 Ca 0.04 -0.81 0.03 0.00 0.06 0.00 0.00 54.13 53.46 1b3k s LEU 321 Cb -0.13 1.29 -0.01 0.00 -0.56 0.00 0.00 46.19 46.79 1b3k s LEU 321 CO -0.07 -0.90 -0.11 -1.58 -1.06 0.00 0.00 176.35 172.63 1b3k s GLN 322 N -3.95 0.94 -0.05 1.48 0.74 -1.01 -1.68 119.66 116.14 1b3k s GLN 322 Ca 0.15 -0.38 0.02 0.00 0.05 0.00 0.00 55.36 55.21 1b3k s GLN 322 Cb 0.03 -0.90 0.01 0.00 1.10 0.00 0.00 33.01 33.25 1b3k s GLN 322 CO -0.01 0.21 -0.11 0.21 -0.55 0.00 0.00 175.29 175.04 1b3k s LYS 323 N -0.14 1.43 -0.04 1.67 2.20 -0.65 -1.13 119.74 123.09 1b3k s LYS 323 Ca 0.02 -0.37 -0.01 0.00 -0.36 0.00 0.00 55.97 55.25 1b3k s LYS 323 Cb -0.06 -1.24 0.03 0.00 -1.51 0.00 0.00 37.83 35.06 1b3k s LYS 323 CO -0.00 0.05 0.05 0.08 -0.36 0.00 0.00 175.35 175.17 1b3k s VAL 324 N 0.54 -0.07 -0.27 4.02 1.01 0.36 -1.77 120.40 124.21 1b3k s VAL 324 Ca -0.11 0.36 -0.09 0.00 0.00 0.00 0.00 61.98 62.14 1b3k s VAL 324 Cb -0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 1b3k s VAL 324 CO 0.02 0.16 0.14 -0.54 0.00 0.00 0.00 175.10 174.88 1b3k s LYS 325 N 1.89 3.76 -0.05 2.72 1.02 -0.91 -1.80 119.74 126.37 1b3k s LYS 325 Ca 0.02 -0.43 0.05 0.00 0.02 0.00 0.00 55.97 55.63 1b3k s LYS 325 Cb -0.12 -3.51 -0.02 0.00 -0.52 0.00 0.00 37.83 33.65 1b3k s LYS 325 CO -0.03 -0.21 -0.20 -1.50 -0.92 0.00 0.00 175.35 172.49 1b3k s ILE 326 N 1.68 2.54 -0.05 2.17 1.10 -0.25 -1.11 121.20 127.29 1b3k s ILE 326 Ca 0.07 -0.91 0.01 0.00 -0.51 0.00 0.00 60.65 59.31 1b3k s ILE 326 Cb -0.16 -1.96 0.02 0.00 0.15 0.00 0.00 42.46 40.52 1b3k s ILE 326 CO 0.07 0.58 -0.07 -1.61 -2.11 0.00 0.00 174.94 171.80 1b3k s GLU 327 N -0.51 1.11 -0.19 3.50 2.02 0.45 -1.15 118.70 123.94 1b3k s GLU 327 Ca 0.07 -0.21 0.00 0.00 0.02 0.00 0.00 54.97 54.85 1b3k s GLU 327 Cb -0.11 -1.02 0.04 0.00 0.10 0.00 0.00 34.13 33.14 1b3k s GLU 327 CO 0.01 -0.04 -0.09 0.08 0.02 0.00 0.00 175.26 175.24 1b3k s VAL 328 N 0.82 1.46 0.00 2.63 1.01 -0.33 -4.33 120.40 121.66 1b3k s VAL 328 Ca -0.12 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1b3k s VAL 328 Cb -0.15 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.67 1b3k s VAL 328 CO 0.01 0.17 0.00 -0.46 0.00 0.00 0.00 175.10 174.82 1b3k n ASN 329 N 4.75 0.28 0.23 3.32 6.94 -1.26 -1.81 115.26 127.71 1b3k n ASN 329 Ca -0.14 -0.27 0.09 0.00 -0.02 0.00 0.00 54.58 54.24 1b3k n ASN 329 Cb 0.47 0.00 0.53 0.00 -2.36 0.00 0.00 39.78 38.43 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 0.00 0.00 -3.83 3.07 -1.98 -3.44 114.58 108.40 1b3k h GLU 330 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1b3k h GLU 330 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1b3k h GLU 330 CO 0.00 0.23 0.00 -1.13 -1.40 0.00 0.00 179.01 176.71 1b3k n SER 331 N -3.65 0.00 0.00 1.42 3.41 -1.26 -0.96 113.62 112.58 1b3k n SER 331 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1b3k n SER 331 Cb 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 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 0.00 0.00 0.00 5.00 0.00 -0.90 -4.81 105.19 104.48 1b3k n GLY 332 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1b3k n GLY 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b3k n ALA 348 N 0.00 0.00 -0.85 4.61 0.00 -1.26 -4.80 120.51 118.22 1b3k n ALA 348 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1b3k n ALA 348 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1b3k n ALA 348 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1b3k n PRO 349 N 0.00 -0.74 -0.82 0.00 -0.02 -1.26 -4.89 135.00 127.27 1b3k n PRO 349 Ca 0.00 -0.23 -0.34 0.00 -2.02 0.00 0.00 63.50 60.90 1b3k n PRO 349 Cb 0.00 -0.43 0.11 0.00 -0.02 0.00 0.00 33.50 33.16 1b3k n PRO 349 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1b3k n GLU 350 N -1.39 -0.69 -4.13 -0.52 -0.58 -1.26 -4.58 120.64 107.50 1b3k n GLU 350 Ca 0.02 -0.18 -0.15 0.00 -0.42 0.00 0.00 57.16 56.43 1b3k n GLU 350 Cb 0.10 -1.49 -0.12 0.00 -0.57 0.00 0.00 31.44 29.36 1b3k n GLU 350 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1b3k s GLU 351 N -2.97 0.58 -0.22 3.49 -1.05 -1.26 -2.19 118.70 115.07 1b3k s GLU 351 Ca 0.50 -0.64 -0.01 0.00 -0.15 0.00 0.00 54.97 54.66 1b3k s GLU 351 Cb -0.10 -0.45 0.02 0.00 -0.44 0.00 0.00 34.13 33.16 1b3k s GLU 351 CO 0.69 0.10 -0.10 0.42 0.95 0.00 0.00 175.26 177.32 1b3k s ILE 352 N -1.01 2.72 -0.34 1.83 1.01 0.44 -4.87 121.20 120.98 1b3k s ILE 352 Ca -0.05 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 59.62 1b3k s ILE 352 Cb -0.08 -2.29 0.03 0.00 0.01 0.00 0.00 42.46 40.13 1b3k s ILE 352 CO 0.01 0.34 0.13 -0.63 0.00 0.00 0.00 174.94 174.79 1b3k s ILE 353 N 1.34 4.02 -1.26 2.92 -1.09 -1.26 -1.00 121.20 124.87 1b3k s ILE 353 Ca 0.03 -1.00 -0.14 0.00 -2.23 0.00 0.00 60.65 57.31 1b3k s ILE 353 Cb -0.15 -3.24 0.14 0.00 -1.58 0.00 0.00 42.46 37.63 1b3k s ILE 353 CO -0.07 -0.16 1.63 -0.38 -1.23 0.00 0.00 174.94 174.74 1b3k n ILE 354 N 4.87 4.17 -0.30 2.92 2.08 -0.54 -4.67 119.36 127.88 1b3k n ILE 354 Ca -0.13 -4.45 0.07 0.00 0.56 0.00 0.00 62.75 58.80 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 5.80 3.21 -4.54 4.38 5.68 -1.26 -4.36 116.55 125.46 1b3k n ASP 355 Ca 0.41 -2.13 -0.25 0.00 -0.50 0.00 0.00 54.79 52.32 1b3k n ASP 355 Cb 0.42 -0.31 -0.11 0.00 -1.14 0.00 0.00 41.12 39.99 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 -1.23 1.80 0.31 0.11 1.70 -1.26 -0.41 118.95 119.97 1b3k s ARG 356 Ca 0.29 -1.96 -0.29 0.00 -0.47 0.00 0.00 55.73 53.31 1b3k s ARG 356 Cb 0.17 -1.54 -0.13 0.00 -0.57 0.00 0.00 34.95 32.88 1b3k s ARG 356 CO 0.17 0.05 1.31 -2.30 -1.08 0.00 0.00 175.30 173.45 1b3k n PRO 357 N -0.80 2.08 -4.57 3.89 -0.02 -1.26 -4.96 135.00 129.37 1b3k n PRO 357 Ca -0.05 0.73 -0.28 0.00 -2.02 0.00 0.00 63.50 61.89 1b3k n PRO 357 Cb 0.65 -2.33 -0.07 0.00 -0.02 0.00 0.00 33.50 31.72 1b3k n PRO 357 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1b3k s PHE 358 N -0.81 1.77 -0.02 6.00 -0.71 -0.94 -4.75 117.98 118.53 1b3k s PHE 358 Ca 0.59 -1.30 0.05 0.00 -1.04 0.00 0.00 56.93 55.23 1b3k s PHE 358 Cb -0.59 -1.21 -0.01 0.00 -1.21 0.00 0.00 43.02 40.00 1b3k s PHE 358 CO 0.59 -0.28 -0.16 -1.17 -1.34 0.00 0.00 175.22 172.86 1b3k s LEU 359 N -3.68 2.01 0.12 -1.99 2.96 0.40 -2.19 118.68 116.30 1b3k s LEU 359 Ca 0.18 -0.30 0.06 0.00 -0.22 0.00 0.00 54.13 53.85 1b3k s LEU 359 Cb 0.01 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.80 1b3k s LEU 359 CO 0.13 0.19 -0.14 0.72 -1.32 0.00 0.00 176.35 175.93 1b3k s PHE 360 N -0.30 1.38 -0.12 5.38 -0.12 -0.61 -0.45 117.98 123.14 1b3k s PHE 360 Ca 0.05 -0.55 -0.05 0.00 -0.05 0.00 0.00 56.93 56.32 1b3k s PHE 360 Cb -0.07 -0.73 0.05 0.00 -0.63 0.00 0.00 43.02 41.64 1b3k s PHE 360 CO -0.00 0.13 0.26 0.08 -0.05 0.00 0.00 175.22 175.64 1b3k s VAL 361 N -2.07 -0.20 -0.28 -2.49 1.01 0.27 -2.22 120.40 114.42 1b3k s VAL 361 Ca 0.08 0.21 -0.08 0.00 0.00 0.00 0.00 61.98 62.18 1b3k s VAL 361 Cb -0.05 -0.41 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 1b3k s VAL 361 CO 0.03 0.09 0.10 -0.69 0.00 0.00 0.00 175.10 174.63 1b3k s VAL 362 N 1.78 4.35 0.11 2.92 1.01 -0.13 0.57 120.40 131.02 1b3k s VAL 362 Ca -0.05 -0.38 0.09 0.00 0.00 0.00 0.00 61.98 61.64 1b3k s VAL 362 Cb -0.11 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 1b3k s VAL 362 CO -0.09 0.17 -0.22 0.00 0.00 0.00 0.00 175.10 174.97 1b3k s ARG 363 N 1.59 1.19 -0.94 2.72 1.70 -0.57 -0.90 118.95 123.75 1b3k s ARG 363 Ca 0.05 -1.22 -0.21 0.00 -0.47 0.00 0.00 55.73 53.88 1b3k s ARG 363 Cb -0.16 -1.51 0.09 0.00 -0.57 0.00 0.00 34.95 32.80 1b3k s ARG 363 CO 0.04 0.35 1.24 -1.58 -1.08 0.00 0.00 175.30 174.27 1b3k s HIS 364 N -1.17 2.84 0.38 5.89 5.65 0.85 -2.24 115.29 127.50 1b3k s HIS 364 Ca 0.09 -1.09 0.21 0.00 0.25 0.00 0.00 55.06 54.52 1b3k s HIS 364 Cb -0.10 -4.45 1.26 0.00 -1.18 0.00 0.00 32.58 28.11 1b3k s HIS 364 CO 0.05 -1.68 1.63 -0.91 -0.65 0.00 0.00 174.74 173.17 1b3k h ASN 365 N 9.28 0.39 0.47 9.88 -0.26 -1.66 0.63 115.58 134.31 1b3k h ASN 365 Ca 0.13 0.20 -0.02 0.00 -0.56 0.00 0.00 56.30 56.04 1b3k h ASN 365 Cb 1.02 0.17 -0.00 0.00 -1.06 0.00 0.00 38.32 38.45 1b3k h ASN 365 CO 1.24 -0.23 -0.27 -0.65 -1.06 0.00 0.00 177.43 176.45 1b3k h PRO 366 N 0.17 -0.68 0.04 0.81 0.11 -1.89 -3.29 132.00 127.27 1b3k h PRO 366 Ca 0.79 0.05 -0.28 0.00 0.11 0.00 0.00 66.00 66.66 1b3k h PRO 366 Cb 2.08 0.15 -0.03 0.00 0.11 0.00 0.00 31.00 33.31 1b3k h PRO 366 CO -0.60 -0.45 -1.54 1.79 -0.21 0.00 0.00 178.00 176.98 1b3k h THR 367 N -0.70 1.08 0.00 -1.15 1.35 -1.84 -3.48 112.91 108.17 1b3k h THR 367 Ca -0.06 -2.84 0.00 0.00 -0.55 0.00 0.00 66.41 62.96 1b3k h THR 367 Cb 0.57 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 1b3k h THR 367 CO 0.07 0.70 0.00 0.61 -0.25 0.00 0.00 175.52 176.65 1b3k n GLY 368 N 1.58 0.37 3.53 5.82 0.00 0.22 -4.82 105.19 111.89 1b3k n GLY 368 Ca -0.15 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.56 0.99 -3.05 2.61 -1.04 -1.20 -4.60 114.28 106.44 1b3k n THR 369 Ca 0.00 -0.25 -0.44 0.00 -2.04 0.00 0.00 64.05 61.32 1b3k n THR 369 Cb 0.00 -0.56 -0.00 0.00 -1.82 0.00 0.00 70.33 67.94 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 -0.35 5.23 0.12 12.58 1.01 -1.26 -0.10 120.40 137.63 1b3k s VAL 370 Ca 0.74 -2.66 -0.28 0.00 0.00 0.00 0.00 61.98 59.78 1b3k s VAL 370 Cb -0.93 -4.81 -0.06 0.00 0.00 0.00 0.00 36.38 30.58 1b3k s VAL 370 CO 0.54 -1.49 1.61 -0.07 0.00 0.00 0.00 175.10 175.69 1b3k h LEU 371 N 9.07 -1.05 -8.47 3.92 3.38 -1.36 -3.06 115.31 117.74 1b3k h LEU 371 Ca 0.26 0.13 -0.31 0.00 0.09 0.00 0.00 57.88 58.04 1b3k h LEU 371 Cb 0.90 0.42 -0.17 0.00 0.09 0.00 0.00 40.66 41.90 1b3k h LEU 371 CO 1.15 -0.41 -0.73 -0.36 0.09 0.00 0.00 178.44 178.18 1b3k s PHE 372 N -5.97 1.07 0.03 1.13 0.08 -0.66 -3.82 117.98 109.83 1b3k s PHE 372 Ca -0.16 -0.68 -0.17 0.00 0.12 0.00 0.00 56.93 56.04 1b3k s PHE 372 Cb 0.09 -0.58 0.03 0.00 -0.57 0.00 0.00 43.02 41.99 1b3k s PHE 372 CO 0.65 -0.00 0.38 1.41 -0.10 0.00 0.00 175.22 177.56 1b3k s MET 373 N -2.95 0.86 0.00 0.44 -2.45 0.12 -0.95 119.30 114.36 1b3k s MET 373 Ca 0.07 -0.34 0.00 0.00 -1.25 0.00 0.00 55.69 54.17 1b3k s MET 373 Cb -0.02 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 0.67 0.65 3.01 2.11 0.00 -0.94 0.24 105.19 110.93 1b3k n GLY 374 Ca -0.19 -0.96 -0.25 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 1.65 -0.49 1.61 -2.07 -0.38 -1.58 119.66 116.40 1b3k s GLN 375 Ca 0.00 -0.39 -0.16 0.00 -1.82 0.00 0.00 55.36 52.99 1b3k s GLN 375 Cb 0.00 -1.40 0.08 0.00 -1.09 0.00 0.00 33.01 30.60 1b3k s GLN 375 CO 0.00 -0.00 0.45 0.08 -1.32 0.00 0.00 175.29 174.50 1b3k s VAL 376 N 0.76 5.16 -0.31 3.63 1.01 -0.93 -2.00 120.40 127.72 1b3k s VAL 376 Ca -0.13 -1.00 0.23 0.00 0.00 0.00 0.00 61.98 61.08 1b3k s VAL 376 Cb -0.15 -4.18 -0.07 0.00 0.00 0.00 0.00 36.38 31.98 1b3k s VAL 376 CO 0.03 -0.65 0.98 0.23 0.00 0.00 0.00 175.10 175.68 1b3k n MET 377 N 5.40 0.53 -3.05 2.72 2.81 -1.26 -2.20 117.12 122.06 1b3k n MET 377 Ca -0.11 0.05 0.02 0.00 -1.81 0.00 0.00 57.70 55.85 1b3k n MET 377 Cb 0.44 -1.73 -0.00 0.00 -0.71 0.00 0.00 33.22 31.22 1b3k n MET 377 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1b3k s GLU 378 N -3.34 0.46 0.00 0.03 2.12 -1.26 -4.56 118.70 112.15 1b3k s GLU 378 Ca -0.00 -0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.32 1b3k s GLU 378 Cb 0.11 0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.60 1b3k s GLU 378 CO 0.80 -0.72 0.37 -0.35 -0.54 0.00 0.00 175.26 174.83