#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k92 h GLU 13 N 0.00 -0.49 -0.50 1.64 4.57 -2.06 -1.82 114.58 115.92 3k92 h GLU 13 Ca 0.00 0.03 0.10 0.00 -1.18 0.00 0.00 59.36 58.31 3k92 h GLU 13 Cb 0.00 0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 28.62 3k92 h GLU 13 CO 0.00 -0.28 0.03 0.00 -1.18 0.00 0.00 179.01 177.57 3k92 h ALA 14 N 0.02 0.50 -0.62 2.92 0.00 -2.00 0.10 119.26 120.18 3k92 h ALA 14 Ca -0.05 0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.13 3k92 h ALA 14 Cb 0.43 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3k92 h ALA 14 CO 0.09 -0.37 0.42 1.25 0.00 0.00 0.00 179.25 180.64 3k92 h LEU 15 N 0.15 0.26 -0.06 0.00 6.46 -1.92 -2.76 115.31 117.44 3k92 h LEU 15 Ca 0.26 0.01 -0.21 0.00 -0.12 0.00 0.00 57.88 57.81 3k92 h LEU 15 Cb 0.38 -0.04 0.01 0.00 -0.73 0.00 0.00 40.66 40.28 3k92 h LEU 15 CO -0.40 0.14 -0.79 0.78 -0.62 0.00 0.00 178.44 177.55 3k92 h ASN 16 N 0.28 0.79 -0.81 1.25 -0.26 -0.10 -0.57 115.58 116.17 3k92 h ASN 16 Ca 0.29 -0.70 0.19 0.00 -0.56 0.00 0.00 56.30 55.53 3k92 h ASN 16 Cb 0.78 -0.24 -0.13 0.00 -1.06 0.00 0.00 38.32 37.67 3k92 h ASN 16 CO -0.07 1.38 0.16 0.25 -1.06 0.00 0.00 177.43 178.10 3k92 h LEU 17 N 0.28 -0.07 -0.08 1.61 5.85 -1.10 0.46 115.31 122.26 3k92 h LEU 17 Ca -0.08 0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 3k92 h LEU 17 Cb 1.45 0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.74 3k92 h LEU 17 CO 0.16 -0.12 -0.17 0.15 -0.34 0.00 0.00 178.44 178.12 3k92 h PHE 18 N 0.21 0.32 -0.29 1.25 -0.00 -1.35 -0.24 116.94 116.82 3k92 h PHE 18 Ca 0.48 -0.12 -0.00 0.00 -0.00 0.00 0.00 57.97 58.32 3k92 h PHE 18 Cb 0.89 -0.06 -0.01 0.00 -0.00 0.00 0.00 35.95 36.76 3k92 h PHE 18 CO -0.30 0.77 0.17 -0.07 -0.00 0.00 0.00 178.31 178.89 3k92 h LEU 19 N -0.23 0.36 -0.82 0.59 3.38 -0.81 -0.69 115.31 117.09 3k92 h LEU 19 Ca 0.00 -0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.02 3k92 h LEU 19 Cb 0.76 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.34 3k92 h LEU 19 CO 0.04 0.31 0.45 -1.28 0.09 0.00 0.00 178.44 178.05 3k92 h SER 20 N 0.37 0.62 -0.19 -0.43 0.87 -0.09 -1.78 113.55 112.92 3k92 h SER 20 Ca 0.11 0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 60.61 3k92 h SER 20 Cb 0.02 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3k92 h SER 20 CO -0.02 0.33 -0.29 0.74 -0.53 0.00 0.00 176.83 177.07 3k92 h THR 21 N 0.73 1.28 -0.57 2.23 2.02 -0.71 -2.82 112.91 115.07 3k92 h THR 21 Ca 0.41 -1.40 -0.10 0.00 0.77 0.00 0.00 66.41 66.09 3k92 h THR 21 Cb 0.44 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 3k92 h THR 21 CO -0.28 0.46 -0.03 1.56 0.37 0.00 0.00 175.52 177.60 3k92 h GLN 22 N 0.58 1.01 -0.47 6.66 4.20 -0.53 -2.58 115.11 123.98 3k92 h GLN 22 Ca 0.07 -0.33 -0.07 0.00 0.06 0.00 0.00 58.65 58.39 3k92 h GLN 22 Cb 0.79 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 3k92 h GLN 22 CO 0.06 1.01 0.01 1.15 -0.67 0.00 0.00 178.83 180.40 3k92 h THR 23 N 0.92 1.24 -0.50 -0.54 2.02 -1.23 0.18 112.91 114.99 3k92 h THR 23 Ca 0.16 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 3k92 h THR 23 Cb 0.58 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 3k92 h THR 23 CO 0.03 0.34 0.26 0.40 0.37 0.00 0.00 175.52 176.92 3k92 h ILE 24 N 0.72 1.18 -0.20 3.11 2.04 -1.41 -2.35 117.51 120.60 3k92 h ILE 24 Ca 0.14 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3k92 h ILE 24 Cb 0.42 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3k92 h ILE 24 CO 0.02 0.20 0.08 0.40 0.00 0.00 0.00 178.15 178.84 3k92 h ILE 25 N 0.67 1.16 -0.96 -0.67 5.03 -0.89 -1.01 117.51 120.83 3k92 h ILE 25 Ca 0.18 -0.49 0.06 0.00 -0.12 0.00 0.00 64.86 64.49 3k92 h ILE 25 Cb 0.08 1.12 -0.06 0.00 -3.03 0.00 0.00 36.82 34.93 3k92 h ILE 25 CO -0.03 0.16 0.62 0.50 -0.68 0.00 0.00 178.15 178.73 3k92 h LYS 26 N 0.17 1.09 0.01 2.37 3.64 -0.68 -0.48 116.57 122.69 3k92 h LYS 26 Ca 0.07 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 3k92 h LYS 26 Cb 0.17 -0.24 0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3k92 h LYS 26 CO -0.01 0.72 -0.29 1.49 -2.27 0.00 0.00 179.45 179.09 3k92 h GLU 27 N 1.12 0.18 -0.84 1.90 4.57 -1.23 -1.70 114.58 118.59 3k92 h GLU 27 Ca 0.41 -0.20 0.07 0.00 -1.18 0.00 0.00 59.36 58.46 3k92 h GLU 27 Cb 0.17 0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.76 3k92 h GLU 27 CO -0.16 0.96 0.51 0.00 -1.18 0.00 0.00 179.01 179.14 3k92 h ALA 28 N 0.22 1.16 -0.65 2.92 0.00 -1.12 -1.74 119.26 120.04 3k92 h ALA 28 Ca -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3k92 h ALA 28 Cb 1.07 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3k92 h ALA 28 CO 0.06 0.22 0.22 -0.07 0.00 0.00 0.00 179.25 179.68 3k92 h LEU 29 N 0.91 0.94 0.05 0.00 3.38 -1.05 -1.98 115.31 117.57 3k92 h LEU 29 Ca 0.37 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3k92 h LEU 29 Cb 0.21 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3k92 h LEU 29 CO -0.19 0.89 -0.02 -0.09 0.09 0.00 0.00 178.44 179.12 3k92 h ARG 30 N 0.94 -0.07 0.00 1.13 2.43 -1.11 -2.12 114.38 115.58 3k92 h ARG 30 Ca 0.21 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 3k92 h ARG 30 Cb 0.28 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3k92 h ARG 30 CO -0.01 0.06 -0.07 -0.22 -1.51 0.00 0.00 179.97 178.21 3k92 h LYS 31 N -0.17 0.00 0.00 0.20 1.63 -1.25 0.21 116.57 117.18 3k92 h LYS 31 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3k92 h LYS 31 Cb 0.15 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 3k92 h LYS 31 CO 0.01 0.07 0.00 -0.07 -3.45 0.00 0.00 179.45 176.01 3k92 h LEU 32 N 0.00 0.00 0.00 5.20 4.07 -0.73 -3.47 115.31 120.38 3k92 h LEU 32 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3k92 h LEU 32 Cb 0.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.92 3k92 h LEU 32 CO 0.01 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.98 3k92 n GLY 33 N 0.78 1.01 3.79 0.83 0.00 0.72 -5.08 105.19 107.24 3k92 n GLY 33 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3k92 n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k92 s TYR 34 N -2.00 3.79 1.21 1.61 2.02 -0.88 -5.03 117.35 118.08 3k92 s TYR 34 Ca 0.00 1.52 -0.19 0.00 -0.37 0.00 0.00 57.07 58.03 3k92 s TYR 34 Cb 0.00 -2.70 0.29 0.00 -0.40 0.00 0.00 41.96 39.15 3k92 s TYR 34 CO 0.00 0.44 1.10 -1.25 -1.57 0.00 0.00 175.55 174.27 3k92 s PRO 35 N -1.51 -1.32 0.43 -1.71 0.04 -1.26 -4.48 135.00 125.19 3k92 s PRO 35 Ca 0.39 -0.07 0.13 0.00 0.04 0.00 0.00 61.00 61.48 3k92 s PRO 35 Cb -0.20 -1.59 0.93 0.00 0.04 0.00 0.00 34.50 33.69 3k92 s PRO 35 CO 0.23 -3.78 1.97 0.78 0.04 0.00 0.00 177.00 176.25 3k92 h GLY 36 N -2.63 0.07 1.70 0.56 0.00 -1.99 -2.95 103.07 97.84 3k92 h GLY 36 Ca -0.45 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 3k92 h GLY 36 CO 0.33 0.04 -0.04 1.29 0.00 0.00 0.00 176.54 178.16 3k92 h ASP 37 N 0.06 0.35 -0.75 0.19 -0.00 -1.98 -0.60 116.42 113.69 3k92 h ASP 37 Ca 0.01 -0.06 0.01 0.00 -0.00 0.00 0.00 57.03 56.99 3k92 h ASP 37 Cb 0.34 -0.09 -0.04 0.00 -0.00 0.00 0.00 39.33 39.54 3k92 h ASP 37 CO 0.02 0.44 0.49 -0.03 -0.00 0.00 0.00 179.24 180.17 3k92 h MET 38 N 0.36 0.98 -0.64 4.15 4.05 -1.88 -2.19 114.93 119.75 3k92 h MET 38 Ca 0.08 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 3k92 h MET 38 Cb 0.31 -0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 30.86 3k92 h MET 38 CO 0.01 0.65 0.42 -0.92 0.23 0.00 0.00 176.91 177.30 3k92 h TYR 39 N 1.01 0.81 -0.55 1.39 5.03 -1.27 -1.05 116.97 122.33 3k92 h TYR 39 Ca 0.28 0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.69 3k92 h TYR 39 Cb -0.10 -0.27 -0.03 0.00 1.55 0.00 0.00 36.73 37.87 3k92 h TYR 39 CO -0.02 0.52 0.37 0.93 -1.32 0.00 0.00 178.16 178.64 3k92 h GLU 40 N 0.87 0.38 -0.11 1.82 4.39 -0.85 0.61 114.58 121.70 3k92 h GLU 40 Ca 0.23 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.82 3k92 h GLU 40 Cb -0.09 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 3k92 h GLU 40 CO -0.05 0.25 -0.28 1.25 -1.16 0.00 0.00 179.01 179.02 3k92 h LEU 41 N 0.40 0.43 0.00 1.33 6.46 -0.91 -3.35 115.31 119.67 3k92 h LEU 41 Ca 0.25 -0.59 -0.02 0.00 -0.12 0.00 0.00 57.88 57.40 3k92 h LEU 41 Cb 0.47 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.27 3k92 h LEU 41 CO -0.07 0.94 -0.27 0.24 -0.62 0.00 0.00 178.44 178.67 3k92 h MET 42 N -0.06 0.00 0.00 1.25 2.86 -0.53 -3.39 114.93 115.06 3k92 h MET 42 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3k92 h MET 42 Cb 0.89 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.55 3k92 h MET 42 CO 0.06 0.10 0.00 1.57 1.06 0.00 0.00 176.91 179.70 3k92 h LYS 43 N 0.00 0.00 -3.61 1.72 2.10 -1.03 -3.44 116.57 112.32 3k92 h LYS 43 Ca -0.01 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.49 3k92 h LYS 43 Cb 1.09 0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 32.21 3k92 h LYS 43 CO 0.01 0.00 -0.54 -2.00 -2.00 0.00 0.00 179.45 174.92 3k92 s GLU 44 N -3.31 0.42 0.50 0.07 2.56 -1.26 -4.92 118.70 112.76 3k92 s GLU 44 Ca 0.06 -0.41 -0.21 0.00 0.00 0.00 0.00 54.97 54.41 3k92 s GLU 44 Cb 0.10 0.17 -0.07 0.00 2.00 0.00 0.00 34.13 36.33 3k92 s GLU 44 CO 0.49 -0.09 1.10 -1.25 -0.56 0.00 0.00 175.26 174.94 3k92 s PRO 45 N -1.30 3.62 0.21 4.30 0.04 -1.26 -4.93 135.00 135.68 3k92 s PRO 45 Ca -0.14 1.55 -0.10 0.00 0.04 0.00 0.00 61.00 62.35 3k92 s PRO 45 Cb -0.08 -2.14 0.30 0.00 0.04 0.00 0.00 34.50 32.62 3k92 s PRO 45 CO 0.01 -0.62 1.70 1.96 0.04 0.00 0.00 177.00 180.09 3k92 h GLN 46 N 1.55 0.24 -4.09 4.56 4.20 -0.20 -3.42 115.11 117.95 3k92 h GLN 46 Ca -0.50 -0.01 -0.29 0.00 0.06 0.00 0.00 58.65 57.91 3k92 h GLN 46 Cb 1.24 -0.05 -0.28 0.00 0.30 0.00 0.00 27.48 28.68 3k92 h GLN 46 CO 0.58 0.16 -0.74 1.03 -0.67 0.00 0.00 178.83 179.19 3k92 s ARG 47 N -6.11 0.27 -0.09 1.46 0.52 -0.70 -5.04 118.95 109.26 3k92 s ARG 47 Ca -0.13 -0.11 0.00 0.00 -0.52 0.00 0.00 55.73 54.97 3k92 s ARG 47 Cb 0.18 -0.27 0.02 0.00 0.52 0.00 0.00 34.95 35.40 3k92 s ARG 47 CO 0.74 0.07 -0.07 1.41 0.02 0.00 0.00 175.30 177.47 3k92 s MET 48 N -0.05 1.37 -0.13 3.54 1.75 -1.26 0.02 119.30 124.54 3k92 s MET 48 Ca 0.01 -0.22 0.01 0.00 -1.25 0.00 0.00 55.69 54.24 3k92 s MET 48 Cb -0.02 -1.41 -0.01 0.00 2.84 0.00 0.00 34.83 36.24 3k92 s MET 48 CO -0.00 -0.20 -0.15 -1.17 -0.65 0.00 0.00 175.02 172.84 3k92 s LEU 49 N 1.49 2.60 -0.09 4.11 0.20 0.03 -5.00 118.68 122.02 3k92 s LEU 49 Ca 0.00 -0.38 0.04 0.00 0.69 0.00 0.00 54.13 54.49 3k92 s LEU 49 Cb -0.13 -1.58 -0.00 0.00 -0.43 0.00 0.00 46.19 44.05 3k92 s LEU 49 CO -0.05 0.16 -0.23 0.42 -0.29 0.00 0.00 176.35 176.36 3k92 s THR 50 N 0.39 1.97 0.18 3.68 -4.23 -1.26 -1.13 115.64 115.24 3k92 s THR 50 Ca -0.12 -0.98 0.10 0.00 -1.18 0.00 0.00 61.69 59.51 3k92 s THR 50 Cb -0.16 -1.70 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 3k92 s THR 50 CO 0.06 0.54 -0.21 0.68 -0.54 0.00 0.00 174.62 175.15 3k92 s VAL 51 N 0.23 2.05 -0.16 2.29 -7.23 -0.28 -4.99 120.40 112.31 3k92 s VAL 51 Ca -0.15 -1.96 -0.00 0.00 -1.81 0.00 0.00 61.98 58.06 3k92 s VAL 51 Cb -0.17 -1.96 -0.00 0.00 0.56 0.00 0.00 36.38 34.81 3k92 s VAL 51 CO 0.07 -0.22 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.37 3k92 s ARG 52 N -2.72 3.24 -0.29 4.82 1.81 -1.26 -1.15 118.95 123.41 3k92 s ARG 52 Ca 0.18 -0.73 0.03 0.00 -1.72 0.00 0.00 55.73 53.49 3k92 s ARG 52 Cb -0.07 -2.68 0.07 0.00 -0.45 0.00 0.00 34.95 31.83 3k92 s ARG 52 CO 0.08 -0.01 -0.05 0.42 -0.68 0.00 0.00 175.30 175.06 3k92 s ILE 53 N 0.89 2.24 0.01 1.52 1.01 0.84 -4.93 121.20 122.78 3k92 s ILE 53 Ca -0.04 -1.85 -0.30 0.00 0.00 0.00 0.00 60.65 58.46 3k92 s ILE 53 Cb -0.15 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 3k92 s ILE 53 CO -0.01 -0.21 1.02 -2.16 0.00 0.00 0.00 174.94 173.57 3k92 s PRO 54 N 1.05 4.54 -0.06 2.79 0.04 -1.26 -0.77 135.00 141.32 3k92 s PRO 54 Ca -0.03 1.47 0.03 0.00 0.04 0.00 0.00 61.00 62.51 3k92 s PRO 54 Cb -0.20 -3.45 0.01 0.00 0.04 0.00 0.00 34.50 30.91 3k92 s PRO 54 CO -0.06 -0.09 -0.13 0.08 0.04 0.00 0.00 177.00 176.85 3k92 s VAL 55 N 1.05 1.15 -0.44 -0.36 1.01 0.14 -4.97 120.40 117.97 3k92 s VAL 55 Ca 0.53 -0.50 -0.28 0.00 0.00 0.00 0.00 61.98 61.73 3k92 s VAL 55 Cb -0.22 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.12 3k92 s VAL 55 CO 0.28 0.35 1.54 -0.75 0.00 0.00 0.00 175.10 176.52 3k92 s LYS 56 N 0.55 3.38 0.47 2.72 2.47 -1.26 -1.73 119.74 126.35 3k92 s LYS 56 Ca -0.12 0.93 -0.19 0.00 -1.56 0.00 0.00 55.97 55.02 3k92 s LYS 56 Cb -0.15 -4.12 -0.09 0.00 -1.46 0.00 0.00 37.83 32.02 3k92 s LYS 56 CO 0.03 -1.81 0.98 -1.64 0.16 0.00 0.00 175.35 173.08 3k92 s MET 57 N 5.40 4.00 0.34 4.03 -1.94 0.19 -4.89 119.30 126.43 3k92 s MET 57 Ca 0.64 1.14 0.09 0.00 -1.71 0.00 0.00 55.69 55.85 3k92 s MET 57 Cb -0.15 -2.14 0.80 0.00 2.01 0.00 0.00 34.83 35.35 3k92 s MET 57 CO 0.30 -0.23 1.84 -0.44 -0.01 0.00 0.00 175.02 176.48 3k92 h ASP 58 N 1.48 0.69 0.00 3.03 3.32 -1.94 0.37 116.42 123.37 3k92 h ASP 58 Ca -0.48 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3k92 h ASP 58 Cb 1.19 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3k92 h ASP 58 CO 0.60 0.31 0.00 -0.46 -1.72 0.00 0.00 179.24 177.98 3k92 n ASN 59 N -4.61 0.00 0.00 6.45 0.23 -1.26 -4.85 115.26 111.21 3k92 n ASN 59 Ca 0.20 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.24 3k92 n ASN 59 Cb 0.52 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.22 3k92 n ASN 59 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3k92 n GLY 60 N 0.18 3.09 3.52 4.83 0.00 0.12 -5.05 105.19 111.89 3k92 n GLY 60 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 3k92 n GLY 60 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k92 n SER 61 N 0.16 -1.09 -4.20 1.61 3.41 -1.26 -4.78 113.62 107.48 3k92 n SER 61 Ca 0.00 0.07 -0.32 0.00 -0.26 0.00 0.00 58.87 58.36 3k92 n SER 61 Cb 0.00 -1.31 -0.17 0.00 -0.26 0.00 0.00 64.21 62.47 3k92 n SER 61 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3k92 s VAL 62 N -2.47 2.07 -0.08 -3.33 1.01 -1.26 -0.64 120.40 115.69 3k92 s VAL 62 Ca 0.66 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.68 3k92 s VAL 62 Cb -0.23 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 3k92 s VAL 62 CO 0.63 0.55 -0.20 -0.75 0.00 0.00 0.00 175.10 175.34 3k92 s LYS 63 N 0.59 2.87 -0.38 2.72 2.20 -0.70 -4.94 119.74 122.09 3k92 s LYS 63 Ca -0.13 -0.81 -0.13 0.00 -0.36 0.00 0.00 55.97 54.54 3k92 s LYS 63 Cb -0.17 -2.35 0.01 0.00 -1.51 0.00 0.00 37.83 33.81 3k92 s LYS 63 CO 0.03 0.34 0.26 0.08 -0.36 0.00 0.00 175.35 175.70 3k92 s VAL 64 N -0.01 5.08 0.29 4.02 1.01 -1.26 0.23 120.40 129.76 3k92 s VAL 64 Ca -0.06 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 3k92 s VAL 64 Cb -0.15 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.39 3k92 s VAL 64 CO 0.05 -0.21 0.63 -0.36 0.00 0.00 0.00 175.10 175.22 3k92 s PHE 65 N 1.66 3.43 -0.19 5.22 0.40 0.05 -4.79 117.98 123.76 3k92 s PHE 65 Ca 0.05 0.94 -0.13 0.00 -0.60 0.00 0.00 56.93 57.19 3k92 s PHE 65 Cb -0.19 -2.33 -0.05 0.00 0.51 0.00 0.00 43.02 40.97 3k92 s PHE 65 CO 0.09 0.14 0.27 0.99 0.70 0.00 0.00 175.22 177.42 3k92 s THR 66 N -2.01 5.30 0.32 0.64 2.01 -1.26 -0.11 115.64 120.53 3k92 s THR 66 Ca 0.49 0.48 0.08 0.00 0.31 0.00 0.00 61.69 63.05 3k92 s THR 66 Cb -0.11 -3.61 -0.06 0.00 0.01 0.00 0.00 72.50 68.73 3k92 s THR 66 CO 0.24 0.36 -0.08 -0.83 -0.69 0.00 0.00 174.62 173.62 3k92 s GLY 67 N 0.69 2.06 0.02 4.40 0.00 -0.30 -1.60 107.32 112.59 3k92 s GLY 67 Ca 0.15 -2.02 -0.01 0.00 0.00 0.00 0.00 44.72 42.84 3k92 s GLY 67 CO 0.04 -1.96 -0.02 -0.19 0.00 0.00 0.00 173.10 170.98 3k92 s TYR 68 N -2.78 0.24 -0.19 1.90 2.02 -0.05 -1.13 117.35 117.36 3k92 s TYR 68 Ca 0.31 -0.49 -0.05 0.00 -0.37 0.00 0.00 57.07 56.47 3k92 s TYR 68 Cb 0.03 -0.18 0.09 0.00 -0.40 0.00 0.00 41.96 41.51 3k92 s TYR 68 CO 0.15 -0.19 0.36 0.50 -1.57 0.00 0.00 175.55 174.80 3k92 s ARG 69 N -1.42 0.27 -0.21 -0.62 6.06 -0.28 -2.50 118.95 120.25 3k92 s ARG 69 Ca -0.16 0.84 -0.08 0.00 -2.50 0.00 0.00 55.73 53.84 3k92 s ARG 69 Cb -0.10 0.04 -0.04 0.00 0.06 0.00 0.00 34.95 34.92 3k92 s ARG 69 CO -0.01 -0.34 0.09 0.45 -2.50 0.00 0.00 175.30 172.99 3k92 s SER 70 N 2.54 5.70 -0.28 -2.12 0.15 -0.12 -0.79 113.70 118.78 3k92 s SER 70 Ca 0.02 0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.75 3k92 s SER 70 Cb -0.13 -2.00 0.07 0.00 -1.71 0.00 0.00 66.02 62.25 3k92 s SER 70 CO -0.12 0.12 -0.06 -1.10 1.20 0.00 0.00 173.24 173.27 3k92 s GLN 71 N 0.73 1.97 -0.05 5.44 -0.21 0.10 -1.60 119.66 126.05 3k92 s GLN 71 Ca 0.05 -1.46 -0.15 0.00 0.02 0.00 0.00 55.36 53.82 3k92 s GLN 71 Cb -0.13 -2.94 -0.09 0.00 1.00 0.00 0.00 33.01 30.85 3k92 s GLN 71 CO 0.02 -0.67 0.60 1.25 -2.12 0.00 0.00 175.29 174.36 3k92 h HIS 72 N 7.75 -0.33 -2.05 0.91 -0.00 -1.10 -1.63 115.15 118.71 3k92 h HIS 72 Ca -0.15 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.24 3k92 h HIS 72 Cb 1.04 0.11 -0.21 0.00 -0.00 0.00 0.00 27.41 28.34 3k92 h HIS 72 CO 0.58 -0.08 -0.04 1.21 -0.00 0.00 0.00 177.93 179.60 3k92 s ASN 73 N -5.21 -0.95 -0.10 3.26 3.84 -1.26 -1.04 114.94 113.48 3k92 s ASN 73 Ca -0.08 1.49 0.14 0.00 0.21 0.00 0.00 52.86 54.61 3k92 s ASN 73 Cb 0.00 1.55 0.30 0.00 -0.55 0.00 0.00 41.25 42.55 3k92 s ASN 73 CO 0.28 -0.23 1.21 -0.90 -2.79 0.00 0.00 177.10 174.66 3k92 n ASP 74 N 4.57 2.76 -0.32 -4.21 3.85 -1.26 -3.70 116.55 118.24 3k92 n ASP 74 Ca -0.18 -2.75 0.13 0.00 -0.71 0.00 0.00 54.79 51.28 3k92 n ASP 74 Cb 0.57 -0.36 0.31 0.00 -1.35 0.00 0.00 41.12 40.29 3k92 n ASP 74 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3k92 h ALA 75 N 0.70 1.54 0.00 2.12 0.00 -1.95 -2.42 119.26 119.25 3k92 h ALA 75 Ca 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3k92 h ALA 75 Cb 1.00 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3k92 h ALA 75 CO 0.06 -0.20 -1.01 0.28 0.00 0.00 0.00 179.25 178.38 3k92 h VAL 76 N 0.58 0.06 0.00 0.00 2.07 -1.87 -3.46 116.25 113.63 3k92 h VAL 76 Ca 0.56 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3k92 h VAL 76 Cb 0.97 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 3k92 h VAL 76 CO -0.44 0.03 0.00 0.61 0.02 0.00 0.00 177.57 177.79 3k92 n GLY 77 N 1.20 -0.76 3.54 2.17 0.00 -0.91 -4.47 105.19 105.97 3k92 n GLY 77 Ca -0.01 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 3k92 n GLY 77 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3k92 n PRO 78 N -0.67 -1.44 -3.08 1.61 -0.04 -1.26 -3.83 135.00 126.29 3k92 n PRO 78 Ca 0.00 -0.37 -0.26 0.00 -0.04 0.00 0.00 63.50 62.82 3k92 n PRO 78 Cb 0.00 -2.22 -0.01 0.00 -0.04 0.00 0.00 33.50 31.23 3k92 n PRO 78 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3k92 s THR 79 N -2.50 5.01 -0.13 0.52 -4.23 -0.83 -1.08 115.64 112.41 3k92 s THR 79 Ca 0.67 -0.08 -0.07 0.00 -1.18 0.00 0.00 61.69 61.03 3k92 s THR 79 Cb -0.24 -3.83 0.05 0.00 1.34 0.00 0.00 72.50 69.82 3k92 s THR 79 CO 0.62 -0.62 0.31 -0.75 -0.54 0.00 0.00 174.62 173.64 3k92 s LYS 80 N -4.30 0.28 0.00 3.99 2.47 -0.49 -1.40 119.74 120.28 3k92 s LYS 80 Ca 0.44 0.63 0.00 0.00 -1.56 0.00 0.00 55.97 55.47 3k92 s LYS 80 Cb -0.10 -0.08 0.00 0.00 -1.46 0.00 0.00 37.83 36.19 3k92 s LYS 80 CO 0.38 -0.16 0.00 0.41 0.16 0.00 0.00 175.35 176.14 3k92 n GLY 81 N 4.23 2.45 3.91 5.54 0.00 -0.90 -1.20 105.19 119.22 3k92 n GLY 81 Ca -0.25 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 3k92 n GLY 81 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k92 s GLY 82 N 0.00 1.63 -0.11 -0.02 0.00 -1.26 -3.21 107.32 104.36 3k92 s GLY 82 Ca 0.00 -0.79 0.03 0.00 0.00 0.00 0.00 44.72 43.96 3k92 s GLY 82 CO 0.00 -0.26 -0.20 0.14 0.00 0.00 0.00 173.10 172.78 3k92 s VAL 83 N -3.58 2.43 -0.13 1.40 1.01 -0.54 -1.48 120.40 119.52 3k92 s VAL 83 Ca 0.64 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 3k92 s VAL 83 Cb -0.10 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 3k92 s VAL 83 CO 0.49 0.55 0.11 -0.13 0.00 0.00 0.00 175.10 176.12 3k92 s ARG 84 N 0.30 3.53 -0.36 2.72 0.52 -0.46 -3.61 118.95 121.59 3k92 s ARG 84 Ca -0.15 -0.20 -0.04 0.00 -0.52 0.00 0.00 55.73 54.82 3k92 s ARG 84 Cb -0.17 -3.17 0.07 0.00 0.52 0.00 0.00 34.95 32.20 3k92 s ARG 84 CO 0.07 0.66 0.12 -0.06 0.02 0.00 0.00 175.30 176.12 3k92 s PHE 85 N -0.71 3.38 -0.14 -0.53 2.99 0.27 -0.49 117.98 122.76 3k92 s PHE 85 Ca 0.13 -1.90 -0.26 0.00 0.00 0.00 0.00 56.93 54.90 3k92 s PHE 85 Cb -0.12 -2.62 0.06 0.00 0.00 0.00 0.00 43.02 40.35 3k92 s PHE 85 CO 0.03 -0.85 0.65 -1.58 -0.00 0.00 0.00 175.22 173.47 3k92 s HIS 86 N 1.27 -0.66 0.59 0.36 2.46 -1.01 -4.38 115.29 113.93 3k92 s HIS 86 Ca 0.01 1.36 0.30 0.00 0.47 0.00 0.00 55.06 57.20 3k92 s HIS 86 Cb -0.21 0.31 1.78 0.00 -0.13 0.00 0.00 32.58 34.34 3k92 s HIS 86 CO -0.01 -0.48 2.20 -1.35 -2.47 0.00 0.00 174.74 172.63 3k92 h PRO 87 N 4.00 0.00 -0.06 2.88 0.11 -1.01 -2.16 132.00 135.77 3k92 h PRO 87 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3k92 h PRO 87 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3k92 h PRO 87 CO 0.25 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.43 3k92 n GLU 88 N -3.79 1.83 -1.68 1.05 1.02 -1.26 -4.67 120.64 113.14 3k92 n GLU 88 Ca -0.01 -1.21 -0.44 0.00 -0.02 0.00 0.00 57.16 55.48 3k92 n GLU 88 Cb 0.18 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 3k92 n GLU 88 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3k92 n VAL 89 N 0.46 1.40 -4.05 2.62 0.31 -0.83 -4.98 118.33 113.26 3k92 n VAL 89 Ca 0.18 -0.35 -0.10 0.00 -0.01 0.00 0.00 64.34 64.06 3k92 n VAL 89 Cb 0.41 -1.53 -0.07 0.00 -0.91 0.00 0.00 33.84 31.74 3k92 n VAL 89 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3k92 s ASN 90 N 0.04 0.03 0.08 4.52 2.20 -1.26 -4.74 114.94 115.81 3k92 s ASN 90 Ca 0.63 -1.05 -0.26 0.00 -0.94 0.00 0.00 52.86 51.24 3k92 s ASN 90 Cb -0.61 0.47 -0.16 0.00 -2.00 0.00 0.00 41.25 38.95 3k92 s ASN 90 CO 0.55 -0.97 1.68 -0.08 -2.94 0.00 0.00 177.10 175.34 3k92 h GLU 91 N 2.47 -0.22 0.00 3.55 4.81 -1.99 -1.44 114.58 121.75 3k92 h GLU 91 Ca -0.31 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.88 3k92 h GLU 91 Cb 1.24 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 3k92 h GLU 91 CO 0.45 -0.12 -0.28 0.93 -0.73 0.00 0.00 179.01 179.26 3k92 h GLU 92 N -0.26 0.00 -0.00 1.92 4.39 -1.98 0.71 114.58 119.36 3k92 h GLU 92 Ca -0.02 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.49 3k92 h GLU 92 Cb 0.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3k92 h GLU 92 CO 0.04 0.28 -0.85 0.87 -1.16 0.00 0.00 179.01 178.19 3k92 h LYS 93 N 0.00 0.19 -0.12 2.33 1.57 -1.75 -1.20 116.57 117.57 3k92 h LYS 93 Ca -0.00 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.52 3k92 h LYS 93 Cb 0.50 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 3k92 h LYS 93 CO 0.04 0.93 -0.15 0.28 -0.57 0.00 0.00 179.45 179.97 3k92 h VAL 94 N 0.11 1.36 -0.08 0.50 2.07 -0.06 -0.85 116.25 119.30 3k92 h VAL 94 Ca -0.04 -1.35 0.04 0.00 0.82 0.00 0.00 66.70 66.17 3k92 h VAL 94 Cb 1.47 1.96 -0.06 0.00 -1.52 0.00 0.00 31.29 33.14 3k92 h VAL 94 CO 0.13 0.39 -0.36 0.11 0.02 0.00 0.00 177.57 177.86 3k92 h LYS 95 N -0.07 -0.45 -0.63 1.57 1.57 -0.92 -1.54 116.57 116.09 3k92 h LYS 95 Ca 0.02 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 3k92 h LYS 95 Cb 0.70 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.07 3k92 h LYS 95 CO 0.04 -0.30 0.37 0.00 -0.57 0.00 0.00 179.45 178.98 3k92 h ALA 96 N 0.23 0.83 -0.06 3.86 0.00 -1.15 -1.67 119.26 121.31 3k92 h ALA 96 Ca 0.08 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3k92 h ALA 96 Cb 0.59 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3k92 h ALA 96 CO -0.34 0.08 -0.27 -0.07 0.00 0.00 0.00 179.25 178.65 3k92 h LEU 97 N 0.70 0.09 -0.94 0.00 3.38 -0.88 -1.58 115.31 116.09 3k92 h LEU 97 Ca 0.27 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 3k92 h LEU 97 Cb 0.10 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3k92 h LEU 97 CO -0.14 0.37 -0.02 0.77 0.09 0.00 0.00 178.44 179.51 3k92 h SER 98 N 0.09 0.72 -0.03 -0.43 4.64 -0.35 0.09 113.55 118.28 3k92 h SER 98 Ca 0.01 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3k92 h SER 98 Cb 0.53 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3k92 h SER 98 CO 0.04 0.80 0.00 0.40 -0.87 0.00 0.00 176.83 177.20 3k92 h ILE 99 N 0.70 1.24 -0.88 0.95 2.04 -0.94 -1.51 117.51 119.10 3k92 h ILE 99 Ca 0.13 -0.72 0.16 0.00 1.00 0.00 0.00 64.86 65.44 3k92 h ILE 99 Cb 0.46 1.68 -0.07 0.00 -0.74 0.00 0.00 36.82 38.15 3k92 h ILE 99 CO 0.02 0.19 0.57 -0.50 0.00 0.00 0.00 178.15 178.44 3k92 h TRP 100 N -0.25 0.73 -0.28 1.37 4.06 -1.09 -0.38 115.95 120.12 3k92 h TRP 100 Ca 0.01 0.02 -0.12 0.00 2.06 0.00 0.00 58.89 60.86 3k92 h TRP 100 Cb 0.31 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.23 3k92 h TRP 100 CO 0.03 0.24 -0.32 1.98 -3.56 0.00 0.00 178.44 176.81 3k92 h MET 101 N 0.59 0.59 -0.45 0.49 4.05 -0.62 -1.90 114.93 117.68 3k92 h MET 101 Ca 0.45 -0.26 0.08 0.00 -0.28 0.00 0.00 59.70 59.69 3k92 h MET 101 Cb 0.85 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.57 3k92 h MET 101 CO -0.20 0.84 0.05 1.15 0.23 0.00 0.00 176.91 178.98 3k92 h THR 102 N 0.50 0.70 -0.52 -0.77 2.02 -0.03 -1.80 112.91 113.02 3k92 h THR 102 Ca 0.06 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.13 3k92 h THR 102 Cb 0.80 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 3k92 h THR 102 CO 0.07 0.03 0.11 -0.07 0.37 0.00 0.00 175.52 176.03 3k92 h LEU 103 N 0.17 0.81 -1.31 2.58 3.38 -1.09 -0.92 115.31 118.93 3k92 h LEU 103 Ca 0.23 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3k92 h LEU 103 Cb 0.31 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3k92 h LEU 103 CO -0.33 0.84 0.47 0.11 0.09 0.00 0.00 178.44 179.62 3k92 h LYS 104 N 0.74 0.91 -0.15 1.13 1.57 -1.15 -1.01 116.57 118.60 3k92 h LYS 104 Ca 0.16 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 3k92 h LYS 104 Cb 0.36 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3k92 h LYS 104 CO 0.00 0.60 -0.01 0.00 -0.57 0.00 0.00 179.45 179.47 3k92 h GLY 106 N 0.01 1.38 1.27 0.00 0.00 -0.89 0.76 103.07 105.60 3k92 h GLY 106 Ca 0.04 -0.50 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 3k92 h GLY 106 CO 0.01 0.47 -0.05 -2.22 0.00 0.00 0.00 176.54 174.75 3k92 h ILE 107 N 1.29 1.26 -0.08 2.60 2.04 -1.08 -1.43 117.51 122.10 3k92 h ILE 107 Ca 0.37 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 65.10 3k92 h ILE 107 Cb -0.10 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3k92 h ILE 107 CO -0.09 0.40 0.00 0.00 0.00 0.00 0.00 178.15 178.46 3k92 n ALA 108 N -2.48 2.57 -3.78 1.87 0.00 -0.87 -4.60 120.51 113.21 3k92 n ALA 108 Ca 0.02 -0.39 -0.26 0.00 0.00 0.00 0.00 53.44 52.81 3k92 n ALA 108 Cb 0.35 -1.19 0.04 0.00 0.00 0.00 0.00 19.45 18.65 3k92 n ALA 108 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3k92 n ASN 109 N -0.06 -3.78 -4.81 0.00 5.15 -0.16 -4.97 115.26 106.63 3k92 n ASN 109 Ca 0.17 -0.75 -0.37 0.00 -0.60 0.00 0.00 54.58 53.03 3k92 n ASN 109 Cb 0.26 -4.16 -0.06 0.00 -0.53 0.00 0.00 39.78 35.28 3k92 n ASN 109 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3k92 s LEU 110 N -7.06 4.39 -1.18 1.20 1.43 0.08 -4.96 118.68 112.58 3k92 s LEU 110 Ca 0.42 1.46 -0.09 0.00 -1.03 0.00 0.00 54.13 54.89 3k92 s LEU 110 Cb -0.20 -3.52 -0.13 0.00 0.03 0.00 0.00 46.19 42.36 3k92 s LEU 110 CO 0.81 0.07 3.04 -0.81 0.23 0.00 0.00 176.35 179.69 3k92 n PRO 111 N 0.89 3.16 -4.03 1.29 -0.04 -1.26 -4.69 135.00 130.32 3k92 n PRO 111 Ca -0.03 -1.84 -0.08 0.00 -0.04 0.00 0.00 63.50 61.51 3k92 n PRO 111 Cb 0.51 -2.57 -0.10 0.00 -0.04 0.00 0.00 33.50 31.29 3k92 n PRO 111 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3k92 s TYR 112 N 1.98 0.39 0.22 0.54 2.02 -1.26 -4.16 117.35 117.08 3k92 s TYR 112 Ca 0.67 -0.83 0.02 0.00 -0.37 0.00 0.00 57.07 56.55 3k92 s TYR 112 Cb 0.21 -0.29 0.02 0.00 -0.40 0.00 0.00 41.96 41.50 3k92 s TYR 112 CO -0.04 -0.35 0.16 0.41 -1.57 0.00 0.00 175.55 174.16 3k92 n GLY 113 N 0.54 2.96 3.70 0.71 0.00 -0.24 -4.67 105.19 108.19 3k92 n GLY 113 Ca -0.17 -2.22 -0.39 0.00 0.00 0.00 0.00 46.02 43.23 3k92 n GLY 113 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k92 s GLY 114 N -2.57 2.39 0.10 -0.02 0.00 -1.24 -1.40 107.32 104.57 3k92 s GLY 114 Ca 0.12 -0.07 0.05 0.00 0.00 0.00 0.00 44.72 44.82 3k92 s GLY 114 CO 0.08 1.10 -0.14 -0.32 0.00 0.00 0.00 173.10 173.82 3k92 s GLY 115 N 0.86 0.96 0.00 0.20 0.00 -0.34 -0.59 107.32 108.40 3k92 s GLY 115 Ca 0.32 -1.14 -0.21 0.00 0.00 0.00 0.00 44.72 43.68 3k92 s GLY 115 CO 0.14 -1.19 0.47 1.25 0.00 0.00 0.00 173.10 173.77 3k92 s LYS 116 N -2.23 0.90 0.28 2.90 2.47 -0.62 -3.12 119.74 120.32 3k92 s LYS 116 Ca 0.03 -0.12 0.02 0.00 -1.56 0.00 0.00 55.97 54.35 3k92 s LYS 116 Cb -0.07 0.41 -0.03 0.00 -1.46 0.00 0.00 37.83 36.68 3k92 s LYS 116 CO 0.02 -0.29 0.27 0.20 0.16 0.00 0.00 175.35 175.71 3k92 s GLY 117 N -1.57 1.83 -0.09 5.54 0.00 -0.55 -0.94 107.32 111.54 3k92 s GLY 117 Ca -0.09 -1.82 -0.32 0.00 0.00 0.00 0.00 44.72 42.49 3k92 s GLY 117 CO 0.03 -1.34 1.21 -0.32 0.00 0.00 0.00 173.10 172.69 3k92 s GLY 118 N -3.27 -0.35 -0.05 0.20 0.00 -1.04 -1.35 107.32 101.46 3k92 s GLY 118 Ca 0.38 1.13 0.01 0.00 0.00 0.00 0.00 44.72 46.24 3k92 s GLY 118 CO 0.21 0.33 -0.07 -0.42 0.00 0.00 0.00 173.10 173.15 3k92 s ILE 119 N -2.50 0.73 -0.62 0.90 1.01 0.36 -0.87 121.20 120.22 3k92 s ILE 119 Ca 0.11 -0.23 -0.27 0.00 0.00 0.00 0.00 60.65 60.27 3k92 s ILE 119 Cb 0.01 -0.73 -0.01 0.00 0.01 0.00 0.00 42.46 41.74 3k92 s ILE 119 CO -0.04 0.27 1.76 -0.63 0.00 0.00 0.00 174.94 176.30 3k92 s ILE 120 N 0.91 3.43 0.15 2.92 1.01 -0.63 -2.42 121.20 126.57 3k92 s ILE 120 Ca -0.11 0.26 -0.25 0.00 0.00 0.00 0.00 60.65 60.56 3k92 s ILE 120 Cb -0.15 -4.08 0.06 0.00 0.01 0.00 0.00 42.46 38.31 3k92 s ILE 120 CO 0.01 -1.03 0.83 0.00 0.00 0.00 0.00 174.94 174.75 3k92 s ASP 122 N -2.80 4.64 0.31 0.00 -1.08 -1.26 -0.39 116.67 116.09 3k92 s ASP 122 Ca 0.08 -2.81 0.21 0.00 -0.52 0.00 0.00 52.55 49.51 3k92 s ASP 122 Cb -0.02 -1.70 1.14 0.00 -1.46 0.00 0.00 42.92 40.88 3k92 s ASP 122 CO -0.02 -0.30 1.64 -0.81 0.52 0.00 0.00 175.17 176.20 3k92 n PRO 123 N 3.43 0.13 0.17 4.34 -0.04 -1.26 -2.06 135.00 139.70 3k92 n PRO 123 Ca 0.05 0.63 0.04 0.00 -0.04 0.00 0.00 63.50 64.18 3k92 n PRO 123 Cb 0.35 -1.95 0.22 0.00 -0.04 0.00 0.00 33.50 32.09 3k92 n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k92 h ARG 124 N 0.00 0.00 -0.56 0.54 3.08 -1.96 -3.11 114.38 112.36 3k92 h ARG 124 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k92 h ARG 124 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3k92 h ARG 124 CO 0.00 0.46 0.00 0.25 -1.07 0.00 0.00 179.97 179.61 3k92 n THR 125 N -3.46 2.49 -4.61 2.04 -2.24 -0.88 -4.96 114.28 102.68 3k92 n THR 125 Ca 0.00 -1.40 -0.28 0.00 -2.27 0.00 0.00 64.05 60.10 3k92 n THR 125 Cb 0.60 -0.17 -0.14 0.00 -2.10 0.00 0.00 70.33 68.52 3k92 n THR 125 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3k92 s MET 126 N -2.54 1.50 0.66 -0.78 -1.94 -1.18 -5.08 119.30 109.93 3k92 s MET 126 Ca 0.53 -1.15 -0.13 0.00 -1.71 0.00 0.00 55.69 53.22 3k92 s MET 126 Cb 0.39 -1.77 -0.01 0.00 2.01 0.00 0.00 34.83 35.45 3k92 s MET 126 CO 0.17 0.44 1.06 -1.54 -0.01 0.00 0.00 175.02 175.15 3k92 s SER 127 N -1.56 5.46 0.36 3.03 1.04 -1.26 -4.88 113.70 115.88 3k92 s SER 127 Ca 0.11 1.74 0.12 0.00 0.48 0.00 0.00 55.95 58.40 3k92 s SER 127 Cb -0.10 -2.52 0.93 0.00 0.10 0.00 0.00 66.02 64.44 3k92 s SER 127 CO 0.03 -1.39 1.80 -0.26 0.98 0.00 0.00 173.24 174.40 3k92 h PHE 128 N -0.24 0.81 -0.38 5.02 0.04 -1.99 -1.37 116.94 118.83 3k92 h PHE 128 Ca -0.45 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.24 3k92 h PHE 128 Cb 1.22 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 39.11 3k92 h PHE 128 CO 0.60 0.17 -0.18 0.78 -0.60 0.00 0.00 178.31 179.08 3k92 h GLY 129 N 0.57 0.77 1.51 -1.45 0.00 -2.00 -1.06 103.07 101.42 3k92 h GLY 129 Ca 0.55 -0.61 -0.17 0.00 0.00 0.00 0.00 47.33 47.09 3k92 h GLY 129 CO -0.30 0.56 -0.65 0.83 0.00 0.00 0.00 176.54 176.99 3k92 h GLU 130 N 0.63 0.49 -0.51 4.80 5.08 -1.63 -2.60 114.58 120.85 3k92 h GLU 130 Ca 0.10 -0.36 -0.08 0.00 -1.00 0.00 0.00 59.36 58.02 3k92 h GLU 130 Cb 0.65 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 3k92 h GLU 130 CO 0.05 0.98 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.95 3k92 h LEU 131 N 0.36 0.85 -0.18 1.33 3.38 -1.14 -1.20 115.31 118.71 3k92 h LEU 131 Ca -0.01 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.74 3k92 h LEU 131 Cb 1.21 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3k92 h LEU 131 CO 0.12 0.92 0.09 -0.08 0.09 0.00 0.00 178.44 179.58 3k92 h GLU 132 N 0.81 0.19 -0.17 1.13 4.81 -1.11 -1.27 114.58 118.97 3k92 h GLU 132 Ca 0.15 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.22 3k92 h GLU 132 Cb 0.50 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 3k92 h GLU 132 CO 0.03 0.13 -0.52 0.00 -0.73 0.00 0.00 179.01 177.91 3k92 h ARG 133 N 0.20 0.49 -0.38 1.92 3.08 -1.27 -0.51 114.38 117.91 3k92 h ARG 133 Ca 0.07 -0.29 -0.14 0.00 0.07 0.00 0.00 59.98 59.69 3k92 h ARG 133 Cb 0.01 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3k92 h ARG 133 CO -0.04 0.89 -0.33 1.25 -1.07 0.00 0.00 179.97 180.67 3k92 h LEU 134 N 0.38 0.89 -0.50 3.04 5.85 -1.22 -0.79 115.31 122.95 3k92 h LEU 134 Ca 0.01 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 3k92 h LEU 134 Cb 1.04 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 3k92 h LEU 134 CO 0.09 1.13 0.21 0.28 -0.34 0.00 0.00 178.44 179.82 3k92 h SER 135 N 0.71 0.68 -0.29 1.25 0.02 -0.65 -0.81 113.55 114.47 3k92 h SER 135 Ca 0.07 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.81 3k92 h SER 135 Cb 0.89 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 3k92 h SER 135 CO 0.08 0.65 -0.03 0.03 -1.14 0.00 0.00 176.83 176.42 3k92 h ARG 136 N 0.67 0.53 -0.11 3.45 3.08 -1.03 -2.52 114.38 118.46 3k92 h ARG 136 Ca 0.17 -0.19 0.02 0.00 0.07 0.00 0.00 59.98 60.05 3k92 h ARG 136 Cb 0.17 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 3k92 h ARG 136 CO -0.02 0.71 0.07 0.78 -1.07 0.00 0.00 179.97 180.44 3k92 h GLY 137 N 0.31 0.08 0.65 0.04 0.00 -0.88 -1.53 103.07 101.74 3k92 h GLY 137 Ca 0.08 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.32 3k92 h GLY 137 CO 0.02 0.03 -0.19 -1.82 0.00 0.00 0.00 176.54 174.57 3k92 h TYR 138 N 0.07 0.36 0.29 5.60 3.20 -0.81 -0.60 116.97 125.08 3k92 h TYR 138 Ca 0.05 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 3k92 h TYR 138 Cb 0.10 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3k92 h TYR 138 CO -0.00 0.80 -0.23 0.28 -1.64 0.00 0.00 178.16 177.37 3k92 h VAL 139 N -0.19 0.50 -0.84 1.81 2.07 -1.15 -1.37 116.25 117.08 3k92 h VAL 139 Ca -0.00 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.70 3k92 h VAL 139 Cb 0.79 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 3k92 h VAL 139 CO 0.04 0.00 0.56 0.03 0.02 0.00 0.00 177.57 178.22 3k92 h ARG 140 N -0.53 0.42 0.00 1.57 3.08 -1.31 0.52 114.38 118.13 3k92 h ARG 140 Ca -0.02 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 3k92 h ARG 140 Cb 0.47 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3k92 h ARG 140 CO -0.02 0.28 -0.67 0.00 -1.07 0.00 0.00 179.97 178.48 3k92 h ALA 141 N 1.62 0.72 -0.03 0.04 0.00 -0.05 -3.35 119.26 118.21 3k92 h ALA 141 Ca 0.42 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3k92 h ALA 141 Cb 1.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3k92 h ALA 141 CO -0.15 0.84 0.00 0.44 0.00 0.00 0.00 179.25 180.38 3k92 n ILE 142 N -3.49 0.11 0.16 0.00 -5.35 -0.71 -4.80 119.36 105.29 3k92 n ILE 142 Ca 0.00 -0.55 0.15 0.00 -0.27 0.00 0.00 62.75 62.07 3k92 n ILE 142 Cb 0.72 1.06 0.72 0.00 -1.74 0.00 0.00 39.64 40.39 3k92 n ILE 142 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3k92 h SER 143 N 1.16 0.00 -0.20 7.28 4.64 -1.06 -1.64 113.55 123.73 3k92 h SER 143 Ca 0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 3k92 h SER 143 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 3k92 h SER 143 CO 0.00 0.00 0.19 1.56 -0.87 0.00 0.00 176.83 177.71 3k92 h GLN 144 N 0.00 0.00 0.00 4.77 4.20 -1.87 -3.04 115.11 119.18 3k92 h GLN 144 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3k92 h GLN 144 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3k92 h GLN 144 CO -0.00 0.00 -0.00 0.44 -0.67 0.00 0.00 178.83 178.60 3k92 n ILE 145 N -3.95 1.25 -4.19 2.54 -5.35 -0.62 -5.04 119.36 103.99 3k92 n ILE 145 Ca 0.02 -1.36 -0.11 0.00 -0.27 0.00 0.00 62.75 61.03 3k92 n ILE 145 Cb 0.32 0.29 -0.10 0.00 -1.74 0.00 0.00 39.64 38.41 3k92 n ILE 145 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3k92 s VAL 146 N -1.54 0.76 0.00 7.28 0.11 -1.15 -4.55 120.40 121.31 3k92 s VAL 146 Ca 0.10 -1.96 0.00 0.00 -2.93 0.00 0.00 61.98 57.19 3k92 s VAL 146 Cb 0.08 -1.74 0.00 0.00 -1.53 0.00 0.00 36.38 33.19 3k92 s VAL 146 CO 0.01 -0.83 0.00 0.61 -3.33 0.00 0.00 175.10 171.56 3k92 n GLY 147 N -0.08 1.27 0.30 6.54 0.00 -0.90 -4.80 105.19 107.53 3k92 n GLY 147 Ca -0.11 -1.70 0.18 0.00 0.00 0.00 0.00 46.02 44.39 3k92 n GLY 147 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3k92 h PRO 148 N 0.00 0.00 -0.02 1.61 0.11 -1.81 -0.53 132.00 131.36 3k92 h PRO 148 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3k92 h PRO 148 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3k92 h PRO 148 CO 0.00 0.03 -0.01 0.25 -0.21 0.00 0.00 178.00 178.06 3k92 n THR 149 N -3.40 0.00 0.03 -1.15 -2.24 -1.26 -4.81 114.28 101.45 3k92 n THR 149 Ca -0.02 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3k92 n THR 149 Cb 0.14 1.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 3k92 n THR 149 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3k92 n LYS 150 N 1.02 0.00 -3.39 -0.78 5.02 -0.57 -4.48 118.16 114.98 3k92 n LYS 150 Ca 0.11 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.41 3k92 n LYS 150 Cb 0.46 -0.45 -0.04 0.00 -0.02 0.00 0.00 35.03 34.99 3k92 n LYS 150 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3k92 s ASP 151 N -5.38 -0.71 -0.32 4.39 2.15 -0.31 -1.95 116.67 114.53 3k92 s ASP 151 Ca 0.00 0.87 0.04 0.00 0.43 0.00 0.00 52.55 53.88 3k92 s ASP 151 Cb 0.00 1.77 0.09 0.00 -0.30 0.00 0.00 42.92 44.48 3k92 s ASP 151 CO 0.00 -0.14 0.02 -0.63 -0.17 0.00 0.00 175.17 174.25 3k92 s ILE 152 N 2.61 2.29 0.21 4.11 1.01 -0.50 -2.11 121.20 128.82 3k92 s ILE 152 Ca -0.01 -2.17 -0.04 0.00 0.00 0.00 0.00 60.65 58.43 3k92 s ILE 152 Cb -0.08 -2.61 0.05 0.00 0.01 0.00 0.00 42.46 39.83 3k92 s ILE 152 CO -0.17 -0.47 0.23 -2.65 0.00 0.00 0.00 174.94 171.88 3k92 n PRO 153 N 4.30 -0.87 -3.62 2.79 -0.02 -1.21 -2.12 135.00 134.26 3k92 n PRO 153 Ca -0.00 -0.36 -0.03 0.00 -2.02 0.00 0.00 63.50 61.08 3k92 n PRO 153 Cb 0.42 -0.29 -0.01 0.00 -0.02 0.00 0.00 33.50 33.60 3k92 n PRO 153 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k92 s ALA 154 N -3.47 -1.97 0.92 3.55 0.00 -1.20 -1.99 121.76 117.60 3k92 s ALA 154 Ca 0.14 0.86 -0.11 0.00 0.00 0.00 0.00 51.96 52.85 3k92 s ALA 154 Cb -0.01 0.31 0.14 0.00 0.00 0.00 0.00 23.12 23.57 3k92 s ALA 154 CO 0.10 -0.86 1.09 -2.14 0.00 0.00 0.00 175.76 173.96 3k92 s PRO 155 N -2.77 1.06 0.00 0.00 0.02 -1.26 -1.47 135.00 130.59 3k92 s PRO 155 Ca 0.11 1.02 0.00 0.00 0.02 0.00 0.00 61.00 62.14 3k92 s PRO 155 Cb 0.01 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.76 3k92 s PRO 155 CO -0.04 -2.43 0.00 -3.47 -0.33 0.00 0.00 177.00 170.73 3k92 n ASP 156 N -4.04 0.00 -4.66 2.53 -0.08 -1.24 -4.42 116.55 104.65 3k92 n ASP 156 Ca 0.08 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.94 3k92 n ASP 156 Cb 0.54 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.97 3k92 n ASP 156 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3k92 s VAL 157 N -1.75 3.10 -1.78 5.18 1.01 -1.26 -2.25 120.40 122.66 3k92 s VAL 157 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.11 3k92 s VAL 157 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.30 3k92 s VAL 157 CO 0.00 -0.02 0.00 -1.22 0.00 0.00 0.00 175.10 173.86 3k92 n TYR 158 N 7.77 -0.37 -4.27 5.22 4.01 -1.26 -0.56 117.16 127.70 3k92 n TYR 158 Ca 0.20 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.75 3k92 n TYR 158 Cb 0.42 -3.32 -0.11 0.00 -0.31 0.00 0.00 39.34 36.01 3k92 n TYR 158 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3k92 s THR 159 N -2.78 1.45 0.16 -0.72 -4.23 -0.95 -4.68 115.64 103.88 3k92 s THR 159 Ca 0.00 -1.79 -0.03 0.00 -1.18 0.00 0.00 61.69 58.69 3k92 s THR 159 Cb 0.00 -1.63 0.01 0.00 1.34 0.00 0.00 72.50 72.23 3k92 s THR 159 CO 0.00 -0.41 0.27 -0.46 -0.54 0.00 0.00 174.62 173.48 3k92 n ASN 160 N 0.43 -0.77 0.19 3.99 0.23 -1.26 -4.00 115.26 114.08 3k92 n ASN 160 Ca -0.15 -1.76 0.03 0.00 -0.53 0.00 0.00 54.58 52.18 3k92 n ASN 160 Cb 0.57 1.36 0.39 0.00 -2.08 0.00 0.00 39.78 40.02 3k92 n ASN 160 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3k92 h SER 161 N 0.86 0.00 -0.04 0.53 4.64 -1.97 -0.83 113.55 116.74 3k92 h SER 161 Ca -0.13 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3k92 h SER 161 Cb 0.52 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3k92 h SER 161 CO 0.17 0.33 0.01 -0.61 -0.87 0.00 0.00 176.83 175.86 3k92 h GLN 162 N 0.00 0.07 -0.99 4.77 5.75 -1.96 -0.48 115.11 122.26 3k92 h GLN 162 Ca -0.00 -0.02 0.13 0.00 -0.15 0.00 0.00 58.65 58.61 3k92 h GLN 162 Cb 0.59 -0.01 -0.09 0.00 1.07 0.00 0.00 27.48 29.05 3k92 h GLN 162 CO 0.04 0.30 0.62 0.82 -2.65 0.00 0.00 178.83 177.97 3k92 h ILE 163 N -0.17 0.88 -0.35 2.39 1.08 -1.78 -1.64 117.51 117.92 3k92 h ILE 163 Ca 0.01 -0.32 -0.03 0.00 -0.39 0.00 0.00 64.86 64.14 3k92 h ILE 163 Cb 0.26 -0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 33.87 3k92 h ILE 163 CO 0.00 0.17 0.11 0.24 -0.69 0.00 0.00 178.15 177.98 3k92 h MET 164 N 0.93 0.54 -0.41 2.37 2.86 -0.89 -1.57 114.93 118.76 3k92 h MET 164 Ca 0.50 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 58.02 3k92 h MET 164 Cb 0.57 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 3k92 h MET 164 CO -0.27 0.56 0.25 0.00 1.06 0.00 0.00 176.91 178.51 3k92 h ALA 165 N 0.95 0.52 -0.97 6.32 0.00 -0.40 0.13 119.26 125.82 3k92 h ALA 165 Ca 0.11 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3k92 h ALA 165 Cb 0.25 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3k92 h ALA 165 CO -0.00 0.01 0.64 -1.49 0.00 0.00 0.00 179.25 178.41 3k92 h TRP 166 N 0.54 1.22 -0.09 0.00 6.55 -1.16 -0.52 115.95 122.48 3k92 h TRP 166 Ca 0.15 0.03 -0.16 0.00 0.95 0.00 0.00 58.89 59.86 3k92 h TRP 166 Cb -0.01 -0.41 0.01 0.00 -0.86 0.00 0.00 29.16 27.89 3k92 h TRP 166 CO -0.04 0.76 -0.57 0.52 -1.05 0.00 0.00 178.44 178.07 3k92 h MET 167 N 1.31 0.55 -0.59 0.49 2.86 -0.66 -1.48 114.93 117.41 3k92 h MET 167 Ca 0.36 -0.47 0.10 0.00 -2.06 0.00 0.00 59.70 57.64 3k92 h MET 167 Cb -0.14 0.10 -0.08 0.00 0.06 0.00 0.00 31.60 31.55 3k92 h MET 167 CO -0.08 1.09 0.17 1.98 1.06 0.00 0.00 176.91 181.13 3k92 h MET 168 N 0.15 0.31 -0.31 1.72 1.85 -0.68 -1.84 114.93 116.12 3k92 h MET 168 Ca -0.05 -0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 58.99 3k92 h MET 168 Cb 1.22 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 33.17 3k92 h MET 168 CO 0.12 0.21 0.04 0.22 -0.40 0.00 0.00 176.91 177.10 3k92 h ASP 169 N 0.32 0.50 -0.11 1.39 3.58 -0.90 -1.39 116.42 119.81 3k92 h ASP 169 Ca 0.31 -0.27 0.03 0.00 0.42 0.00 0.00 57.03 57.52 3k92 h ASP 169 Cb 0.42 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.30 3k92 h ASP 169 CO -0.35 0.64 -0.08 -0.08 -2.88 0.00 0.00 179.24 176.49 3k92 h GLU 170 N 0.34 -0.08 -0.39 0.28 4.57 -0.99 -1.65 114.58 116.66 3k92 h GLU 170 Ca 0.09 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 3k92 h GLU 170 Cb 0.36 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 3k92 h GLU 170 CO 0.01 -0.05 0.12 -0.92 -1.18 0.00 0.00 179.01 176.98 3k92 h TYR 171 N -0.08 0.64 -0.89 0.92 3.20 -1.28 -1.48 116.97 117.99 3k92 h TYR 171 Ca 0.07 -0.07 0.18 0.00 3.14 0.00 0.00 58.73 62.06 3k92 h TYR 171 Cb 0.19 -0.18 -0.11 0.00 1.54 0.00 0.00 36.73 38.17 3k92 h TYR 171 CO -0.20 0.60 0.44 0.77 -1.64 0.00 0.00 178.16 178.14 3k92 h SER 172 N 0.49 0.49 -0.35 -2.11 0.02 -1.21 -1.95 113.55 108.92 3k92 h SER 172 Ca 0.13 0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 61.13 3k92 h SER 172 Cb 0.27 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3k92 h SER 172 CO -0.00 0.14 -0.02 -0.09 -1.14 0.00 0.00 176.83 175.72 3k92 h ARG 173 N 0.55 0.64 -0.75 3.45 9.65 -0.40 0.07 114.38 127.59 3k92 h ARG 173 Ca 0.52 -0.21 0.08 0.00 -1.10 0.00 0.00 59.98 59.26 3k92 h ARG 173 Cb 0.85 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 29.31 3k92 h ARG 173 CO -0.43 0.76 0.42 -0.07 2.80 0.00 0.00 179.97 183.46 3k92 h LEU 174 N 0.44 0.62 0.00 3.80 3.38 -0.87 -2.86 115.31 119.82 3k92 h LEU 174 Ca 0.10 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3k92 h LEU 174 Cb 0.49 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3k92 h LEU 174 CO 0.02 0.38 -0.66 0.03 0.09 0.00 0.00 178.44 178.30 3k92 h ARG 175 N 0.75 0.00 -0.06 1.13 2.47 -1.17 -3.48 114.38 114.03 3k92 h ARG 175 Ca 0.35 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 59.04 3k92 h ARG 175 Cb 0.27 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 3k92 h ARG 175 CO -0.21 0.00 -0.02 0.39 0.56 0.00 0.00 179.97 180.68 3k92 n GLU 176 N -2.32 -0.09 -3.66 0.04 1.02 -0.02 -5.02 120.64 110.59 3k92 n GLU 176 Ca 0.03 0.51 -0.15 0.00 -0.02 0.00 0.00 57.16 57.52 3k92 n GLU 176 Cb 0.47 -4.03 -0.08 0.00 -0.02 0.00 0.00 31.44 27.79 3k92 n GLU 176 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 3k92 s PHE 177 N -2.04 -0.46 0.05 -0.32 -0.12 -1.02 -5.03 117.98 109.05 3k92 s PHE 177 Ca 0.00 0.90 -0.35 0.00 -0.05 0.00 0.00 56.93 57.43 3k92 s PHE 177 Cb 0.00 0.23 -0.14 0.00 -0.63 0.00 0.00 43.02 42.48 3k92 s PHE 177 CO 0.00 -0.42 1.63 -0.25 -0.05 0.00 0.00 175.22 176.12 3k92 n ASP 178 N 1.63 2.87 -3.06 1.98 8.00 -1.26 -4.40 116.55 122.31 3k92 n ASP 178 Ca -0.18 1.06 -0.24 0.00 0.71 0.00 0.00 54.79 56.14 3k92 n ASP 178 Cb 0.56 -1.35 -0.04 0.00 -0.02 0.00 0.00 41.12 40.28 3k92 n ASP 178 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3k92 n SER 179 N 4.22 3.04 -0.10 -2.24 7.64 -1.26 -4.94 113.62 119.97 3k92 n SER 179 Ca 0.19 -3.41 0.08 0.00 1.01 0.00 0.00 58.87 56.75 3k92 n SER 179 Cb 0.26 -0.59 0.43 0.00 -1.01 0.00 0.00 64.21 63.30 3k92 n SER 179 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3k92 h PRO 180 N 3.08 0.55 0.00 1.43 0.13 -1.91 -1.68 132.00 133.60 3k92 h PRO 180 Ca 0.12 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3k92 h PRO 180 Cb 0.69 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.69 3k92 h PRO 180 CO 0.70 0.36 0.00 0.41 -0.23 0.00 0.00 178.00 179.24 3k92 n GLY 181 N -1.48 -0.74 0.26 1.56 0.00 -1.26 -2.98 105.19 100.54 3k92 n GLY 181 Ca 0.09 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.06 3k92 n GLY 181 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3k92 h PHE 182 N 0.00 0.00 -2.20 1.61 3.57 -1.63 -3.36 116.94 114.93 3k92 h PHE 182 Ca 0.00 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 3k92 h PHE 182 Cb 0.04 0.00 -0.22 0.00 2.79 0.00 0.00 35.95 38.56 3k92 h PHE 182 CO 0.00 0.05 0.03 -1.50 -2.23 0.00 0.00 178.31 174.66 3k92 s ILE 183 N -4.89 0.00 0.54 1.41 2.07 -1.16 -3.28 121.20 115.89 3k92 s ILE 183 Ca -0.05 -0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.22 3k92 s ILE 183 Cb 0.16 -0.89 0.02 0.00 0.13 0.00 0.00 42.46 41.89 3k92 s ILE 183 CO 0.66 -0.00 0.22 0.42 -1.91 0.00 0.00 174.94 174.33 3k92 s THR 184 N 0.28 1.33 -1.02 4.00 -4.23 -0.84 -4.63 115.64 110.52 3k92 s THR 184 Ca -0.00 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 3k92 s THR 184 Cb -0.04 -2.05 0.00 0.00 1.34 0.00 0.00 72.50 71.74 3k92 s THR 184 CO 0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 3k92 n GLY 185 N -1.57 0.77 3.85 3.99 0.00 -1.26 -4.25 105.19 106.71 3k92 n GLY 185 Ca -0.11 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 3k92 n GLY 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k92 s LYS 186 N -3.42 3.38 0.96 1.61 1.02 -1.26 -4.12 119.74 117.91 3k92 s LYS 186 Ca 0.00 0.86 -0.11 0.00 0.02 0.00 0.00 55.97 56.75 3k92 s LYS 186 Cb 0.00 -2.05 0.16 0.00 -0.52 0.00 0.00 37.83 35.42 3k92 s LYS 186 CO 0.00 -0.75 1.08 -2.30 -0.92 0.00 0.00 175.35 172.46 3k92 n PRO 187 N -2.76 -0.73 -0.23 -1.68 -0.02 -1.26 -3.92 135.00 124.40 3k92 n PRO 187 Ca 0.07 -0.15 -0.08 0.00 -2.02 0.00 0.00 63.50 61.32 3k92 n PRO 187 Cb 0.54 -2.32 0.04 0.00 -0.02 0.00 0.00 33.50 31.74 3k92 n PRO 187 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3k92 h LEU 188 N -1.99 0.96 -0.47 2.45 4.07 -1.93 -1.37 115.31 117.03 3k92 h LEU 188 Ca -0.46 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.28 3k92 h LEU 188 Cb 1.28 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.77 3k92 h LEU 188 CO 0.42 0.93 0.00 1.33 -1.08 0.00 0.00 178.44 180.03 3k92 n VAL 189 N -4.33 0.91 -1.06 1.22 0.24 -1.26 -1.64 118.33 112.40 3k92 n VAL 189 Ca 0.04 0.25 0.02 0.00 -2.04 0.00 0.00 64.34 62.62 3k92 n VAL 189 Cb 0.23 -1.12 0.29 0.00 -1.47 0.00 0.00 33.84 31.77 3k92 n VAL 189 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3k92 n LEU 190 N -1.98 4.88 0.00 1.34 4.77 -0.92 -4.94 117.00 120.15 3k92 n LEU 190 Ca 0.02 -3.17 0.00 0.00 -0.03 0.00 0.00 56.01 52.83 3k92 n LEU 190 Cb 0.20 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 3k92 n LEU 190 CO 0.17 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 3k92 n GLY 191 N -0.32 1.05 3.75 -0.72 0.00 -0.65 -4.86 105.19 103.44 3k92 n GLY 191 Ca 0.30 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 3k92 n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k92 s GLY 192 N -2.57 1.58 -0.04 -0.02 0.00 -0.56 -4.77 107.32 100.94 3k92 s GLY 192 Ca 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 44.72 44.15 3k92 s GLY 192 CO 0.00 0.06 0.08 -0.45 0.00 0.00 0.00 173.10 172.79 3k92 s SER 193 N -3.90 5.73 0.78 1.64 0.15 -1.26 -4.76 113.70 112.09 3k92 s SER 193 Ca 0.65 0.21 -0.15 0.00 0.70 0.00 0.00 55.95 57.36 3k92 s SER 193 Cb -0.15 -1.69 0.03 0.00 -1.71 0.00 0.00 66.02 62.51 3k92 s SER 193 CO 0.55 0.32 0.90 0.00 1.20 0.00 0.00 173.24 176.21 3k92 n GLN 194 N 1.50 0.24 -1.00 5.44 1.13 -1.26 -4.00 117.38 119.44 3k92 n GLN 194 Ca -0.15 0.14 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 3k92 n GLN 194 Cb 0.53 -2.18 0.00 0.00 0.11 0.00 0.00 30.24 28.70 3k92 n GLN 194 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3k92 n GLY 195 N 1.04 0.52 0.25 1.08 0.00 -1.26 -4.89 105.19 101.93 3k92 n GLY 195 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 3k92 n GLY 195 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3k92 h ARG 196 N 1.11 0.88 -0.10 1.61 2.43 -1.95 -2.78 114.38 115.58 3k92 h ARG 196 Ca 0.00 -0.53 -0.02 0.00 -0.81 0.00 0.00 59.98 58.62 3k92 h ARG 196 Cb 0.04 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3k92 h ARG 196 CO 0.00 1.17 -0.02 1.49 -1.51 0.00 0.00 179.97 181.10 3k92 h GLU 197 N 0.69 0.19 0.00 0.20 4.57 -1.91 -3.19 114.58 115.13 3k92 h GLU 197 Ca 0.03 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3k92 h GLU 197 Cb 1.10 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 3k92 h GLU 197 CO 0.11 0.50 -0.35 2.41 -1.18 0.00 0.00 179.01 180.50 3k92 n THR 198 N -4.77 0.18 -0.25 0.32 -1.04 -1.25 -4.63 114.28 102.84 3k92 n THR 198 Ca -0.06 -0.11 0.02 0.00 -2.04 0.00 0.00 64.05 61.85 3k92 n THR 198 Cb 0.23 -0.15 0.10 0.00 -1.82 0.00 0.00 70.33 68.69 3k92 n THR 198 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k92 h ALA 199 N 2.80 0.54 -0.49 2.41 0.00 -1.48 -0.45 119.26 122.60 3k92 h ALA 199 Ca 0.00 0.28 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 3k92 h ALA 199 Cb 0.60 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3k92 h ALA 199 CO 0.00 -0.42 -0.20 1.15 0.00 0.00 0.00 179.25 179.78 3k92 h THR 200 N 0.02 1.27 -0.16 0.00 2.02 -1.82 -2.51 112.91 111.73 3k92 h THR 200 Ca 0.36 -1.36 -0.16 0.00 0.77 0.00 0.00 66.41 66.02 3k92 h THR 200 Cb 0.58 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 3k92 h THR 200 CO -0.74 0.47 -0.57 0.00 0.37 0.00 0.00 175.52 175.06 3k92 h ALA 201 N 0.89 0.72 -0.53 6.16 0.00 -1.61 -2.48 119.26 122.40 3k92 h ALA 201 Ca 0.12 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 3k92 h ALA 201 Cb 0.78 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3k92 h ALA 201 CO 0.06 0.70 0.12 1.96 0.00 0.00 0.00 179.25 182.09 3k92 h GLN 202 N 0.37 0.81 -0.30 0.00 4.20 -1.08 -1.55 115.11 117.56 3k92 h GLN 202 Ca 0.00 -0.17 -0.16 0.00 0.06 0.00 0.00 58.65 58.39 3k92 h GLN 202 Cb 1.11 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.76 3k92 h GLN 202 CO 0.10 0.74 -0.45 0.78 -0.67 0.00 0.00 178.83 179.33 3k92 h GLY 203 N 0.96 0.85 0.97 3.46 0.00 -1.30 -0.68 103.07 107.34 3k92 h GLY 203 Ca 0.17 -0.91 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 3k92 h GLY 203 CO -0.00 0.82 -0.08 -2.08 0.00 0.00 0.00 176.54 175.19 3k92 h VAL 204 N 0.62 0.84 -0.15 4.60 2.07 -1.28 -2.03 116.25 120.92 3k92 h VAL 204 Ca 0.04 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.54 3k92 h VAL 204 Cb 1.02 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3k92 h VAL 204 CO 0.10 0.02 0.12 0.71 0.02 0.00 0.00 177.57 178.53 3k92 h THR 205 N -0.27 0.79 -0.42 2.57 1.35 -1.17 -1.60 112.91 114.16 3k92 h THR 205 Ca -0.02 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.71 3k92 h THR 205 Cb 0.21 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 67.53 3k92 h THR 205 CO 0.04 0.00 -0.22 0.40 -0.25 0.00 0.00 175.52 175.49 3k92 h ILE 206 N 0.00 1.28 -0.26 6.82 2.04 -0.83 -2.78 117.51 123.78 3k92 h ILE 206 Ca 0.07 -1.37 -0.06 0.00 1.00 0.00 0.00 64.86 64.50 3k92 h ILE 206 Cb 0.31 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3k92 h ILE 206 CO -0.00 0.46 -0.12 0.00 0.00 0.00 0.00 178.15 178.49 3k92 h ILE 208 N 0.40 1.25 0.00 0.00 2.04 -1.38 0.47 117.51 120.28 3k92 h ILE 208 Ca 0.08 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 3k92 h ILE 208 Cb 0.45 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3k92 h ILE 208 CO 0.03 0.33 -0.01 -0.33 0.00 0.00 0.00 178.15 178.17 3k92 h GLU 209 N 0.78 0.00 0.06 2.37 5.08 -1.16 -2.18 114.58 119.53 3k92 h GLU 209 Ca 0.17 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.20 3k92 h GLU 209 Cb 0.37 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 3k92 h GLU 209 CO 0.01 0.01 -1.89 0.39 -1.00 0.00 0.00 179.01 176.53 3k92 n GLU 210 N -4.49 0.70 -0.33 2.33 -0.58 -1.03 -2.65 120.64 114.58 3k92 n GLU 210 Ca -0.03 0.27 -0.02 0.00 -0.42 0.00 0.00 57.16 56.96 3k92 n GLU 210 Cb 0.10 -1.74 0.14 0.00 -0.57 0.00 0.00 31.44 29.37 3k92 n GLU 210 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3k92 h ALA 211 N 0.53 1.31 -0.01 0.62 0.00 -0.70 -1.99 119.26 119.02 3k92 h ALA 211 Ca -0.37 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 3k92 h ALA 211 Cb 2.03 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 3k92 h ALA 211 CO 0.08 0.62 -0.64 0.28 0.00 0.00 0.00 179.25 179.59 3k92 h VAL 212 N 1.26 1.45 -0.21 0.00 2.07 -1.48 -0.23 116.25 119.12 3k92 h VAL 212 Ca 0.34 -2.18 -0.03 0.00 0.82 0.00 0.00 66.70 65.64 3k92 h VAL 212 Cb -0.12 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 3k92 h VAL 212 CO -0.07 0.63 0.00 0.11 0.02 0.00 0.00 177.57 178.26 3k92 h LYS 213 N 0.03 0.36 -0.81 1.57 1.57 -1.29 -1.17 116.57 116.83 3k92 h LYS 213 Ca -0.01 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 3k92 h LYS 213 Cb 1.14 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.38 3k92 h LYS 213 CO 0.09 0.55 0.41 0.87 -0.57 0.00 0.00 179.45 180.80 3k92 h LYS 214 N 0.13 1.16 -0.47 3.15 1.79 -1.14 -2.39 116.57 118.79 3k92 h LYS 214 Ca 0.06 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 3k92 h LYS 214 Cb 0.39 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 3k92 h LYS 214 CO 0.01 0.88 0.00 1.17 -1.08 0.00 0.00 179.45 180.43 3k92 n LYS 215 N -4.36 2.06 0.00 3.15 3.00 -0.12 -4.92 118.16 116.97 3k92 n LYS 215 Ca 0.08 -1.28 0.00 0.00 -0.00 0.00 0.00 58.31 57.11 3k92 n LYS 215 Cb 0.12 -1.43 0.00 0.00 0.00 0.00 0.00 35.03 33.73 3k92 n LYS 215 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3k92 n GLY 216 N 0.83 2.70 3.75 3.14 0.00 -0.90 -5.01 105.19 109.70 3k92 n GLY 216 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3k92 n GLY 216 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k92 s ILE 217 N -1.31 3.57 -0.01 -0.61 1.09 -0.47 -4.94 121.20 118.52 3k92 s ILE 217 Ca 0.00 1.53 -0.26 0.00 -1.10 0.00 0.00 60.65 60.82 3k92 s ILE 217 Cb 0.00 -3.97 -0.04 0.00 -1.06 0.00 0.00 42.46 37.38 3k92 s ILE 217 CO 0.00 0.34 0.80 -0.54 -0.10 0.00 0.00 174.94 175.44 3k92 s LYS 218 N -1.19 4.50 0.23 2.79 1.02 -1.26 -4.37 119.74 121.45 3k92 s LYS 218 Ca 0.46 1.09 -0.07 0.00 0.02 0.00 0.00 55.97 57.47 3k92 s LYS 218 Cb -0.31 -3.42 0.29 0.00 -0.52 0.00 0.00 37.83 33.87 3k92 s LYS 218 CO 0.39 0.11 1.84 1.25 -0.92 0.00 0.00 175.35 178.03 3k92 h LEU 219 N 6.37 0.74 -0.87 3.17 6.46 -1.96 0.13 115.31 129.35 3k92 h LEU 219 Ca -0.42 0.02 0.26 0.00 -0.12 0.00 0.00 57.88 57.62 3k92 h LEU 219 Cb 1.21 -0.13 -0.16 0.00 -0.73 0.00 0.00 40.66 40.84 3k92 h LEU 219 CO 0.74 0.48 0.08 0.00 -0.62 0.00 0.00 178.44 179.11 3k92 n GLN 220 N -4.68 -0.07 0.00 1.25 6.02 -1.26 -1.49 117.38 117.16 3k92 n GLN 220 Ca 0.11 1.29 0.12 0.00 -0.01 0.00 0.00 57.00 58.51 3k92 n GLN 220 Cb 0.17 -2.09 0.14 0.00 1.02 0.00 0.00 30.24 29.48 3k92 n GLN 220 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3k92 n ASN 221 N -5.23 1.33 -4.51 1.08 4.13 0.42 -3.25 115.26 109.24 3k92 n ASN 221 Ca 0.22 -1.06 -0.37 0.00 1.68 0.00 0.00 54.58 55.05 3k92 n ASN 221 Cb 0.73 0.42 0.06 0.00 -1.54 0.00 0.00 39.78 39.45 3k92 n ASN 221 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3k92 n ALA 222 N -0.66 -0.94 -3.54 5.41 0.00 -0.55 -4.84 120.51 115.39 3k92 n ALA 222 Ca 0.09 -0.12 -0.29 0.00 0.00 0.00 0.00 53.44 53.12 3k92 n ALA 222 Cb 0.39 -1.92 -0.13 0.00 0.00 0.00 0.00 19.45 17.79 3k92 n ALA 222 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3k92 s ARG 223 N -2.59 0.67 -0.06 0.00 0.52 -1.26 -2.56 118.95 113.67 3k92 s ARG 223 Ca 0.70 -1.36 0.02 0.00 -0.52 0.00 0.00 55.73 54.57 3k92 s ARG 223 Cb -0.39 -1.54 -0.03 0.00 0.52 0.00 0.00 34.95 33.51 3k92 s ARG 223 CO 0.54 -1.17 -0.11 -1.50 0.02 0.00 0.00 175.30 173.08 3k92 s ILE 224 N 1.07 3.33 -0.02 1.52 2.07 -1.15 -0.15 121.20 127.87 3k92 s ILE 224 Ca 0.16 -0.62 -0.07 0.00 -1.41 0.00 0.00 60.65 58.71 3k92 s ILE 224 Cb -0.22 -2.33 -0.05 0.00 0.13 0.00 0.00 42.46 39.99 3k92 s ILE 224 CO -0.05 0.59 0.25 -0.63 -1.91 0.00 0.00 174.94 173.19 3k92 s ILE 225 N -0.72 5.33 -0.21 2.00 1.01 0.24 -0.70 121.20 128.15 3k92 s ILE 225 Ca 0.11 0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.97 3k92 s ILE 225 Cb -0.11 -3.54 0.06 0.00 0.01 0.00 0.00 42.46 38.88 3k92 s ILE 225 CO 0.01 0.44 -0.02 -0.63 0.00 0.00 0.00 174.94 174.74 3k92 s ILE 226 N -1.22 1.12 0.00 2.92 1.01 -1.14 -1.98 121.20 121.92 3k92 s ILE 226 Ca 0.24 -0.90 -0.22 0.00 0.00 0.00 0.00 60.65 59.78 3k92 s ILE 226 Cb -0.13 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 3k92 s ILE 226 CO 0.13 -0.10 0.64 -1.58 0.00 0.00 0.00 174.94 174.03 3k92 s GLN 227 N 1.59 4.37 0.00 2.79 0.74 -0.72 -2.57 119.66 125.86 3k92 s GLN 227 Ca -0.03 0.81 0.00 0.00 0.05 0.00 0.00 55.36 56.19 3k92 s GLN 227 Cb -0.18 -3.35 0.00 0.00 1.10 0.00 0.00 33.01 30.58 3k92 s GLN 227 CO -0.07 0.33 0.00 0.41 -0.55 0.00 0.00 175.29 175.41 3k92 n GLY 228 N 2.49 -3.62 0.69 2.59 0.00 -0.10 -3.38 105.19 103.85 3k92 n GLY 228 Ca -0.06 -0.75 0.06 0.00 0.00 0.00 0.00 46.02 45.28 3k92 n GLY 228 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3k92 n PHE 229 N 0.04 0.60 0.00 1.61 7.35 -0.76 -3.83 117.46 122.48 3k92 n PHE 229 Ca 0.00 -0.64 0.00 0.00 -0.76 0.00 0.00 57.45 56.05 3k92 n PHE 229 Cb 0.00 -0.13 0.00 0.00 0.35 0.00 0.00 39.48 39.70 3k92 n PHE 229 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3k92 n GLY 230 N 0.06 -1.56 0.27 7.13 0.00 -1.26 -4.00 105.19 105.83 3k92 n GLY 230 Ca 0.15 -1.17 -0.06 0.00 0.00 0.00 0.00 46.02 44.93 3k92 n GLY 230 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3k92 h ASN 231 N 0.00 0.81 0.00 1.61 2.35 -1.99 0.23 115.58 118.60 3k92 h ASN 231 Ca 0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3k92 h ASN 231 Cb 0.00 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.16 3k92 h ASN 231 CO 0.00 0.67 0.00 0.00 -1.65 0.00 0.00 177.43 176.45 3k92 n ALA 232 N -2.33 -0.08 -0.00 -0.83 0.00 -1.26 -3.09 120.51 112.91 3k92 n ALA 232 Ca 0.05 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.54 3k92 n ALA 232 Cb 0.08 0.18 0.45 0.00 0.00 0.00 0.00 19.45 20.16 3k92 n ALA 232 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3k92 h GLY 233 N 0.00 0.55 -0.46 0.00 0.00 -1.62 -2.56 103.07 98.98 3k92 h GLY 233 Ca 0.00 -0.20 0.08 0.00 0.00 0.00 0.00 47.33 47.21 3k92 h GLY 233 CO 0.00 0.18 -0.46 0.23 0.00 0.00 0.00 176.54 176.49 3k92 h SER 234 N 0.51 -1.58 -0.06 0.19 0.87 -0.55 0.59 113.55 113.50 3k92 h SER 234 Ca 0.17 0.24 -0.14 0.00 -1.23 0.00 0.00 61.79 60.83 3k92 h SER 234 Cb 0.04 0.70 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 3k92 h SER 234 CO -0.04 -0.35 -0.41 0.15 -0.53 0.00 0.00 176.83 175.64 3k92 h PHE 235 N -0.27 0.71 0.59 2.24 3.04 -1.39 -2.38 116.94 119.47 3k92 h PHE 235 Ca 0.15 -0.21 -0.03 0.00 3.98 0.00 0.00 57.97 61.86 3k92 h PHE 235 Cb 0.57 -0.15 0.01 0.00 2.56 0.00 0.00 35.95 38.94 3k92 h PHE 235 CO -0.71 0.91 -0.28 -0.07 -2.02 0.00 0.00 178.31 176.14 3k92 h LEU 236 N 0.49 -0.67 -0.33 0.59 4.07 -1.25 -0.30 115.31 117.90 3k92 h LEU 236 Ca 0.04 -0.01 0.07 0.00 0.08 0.00 0.00 57.88 58.05 3k92 h LEU 236 Cb 0.93 0.17 -0.06 0.00 1.08 0.00 0.00 40.66 42.78 3k92 h LEU 236 CO 0.08 -0.42 -0.09 0.00 -1.08 0.00 0.00 178.44 176.94 3k92 h ALA 237 N -0.54 0.21 -0.34 1.53 0.00 0.12 -0.49 119.26 119.76 3k92 h ALA 237 Ca -0.08 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3k92 h ALA 237 Cb 0.64 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3k92 h ALA 237 CO 0.13 -0.47 0.15 -0.22 0.00 0.00 0.00 179.25 178.85 3k92 h LYS 238 N -0.01 0.46 -0.24 0.00 3.64 -1.43 -2.89 116.57 116.11 3k92 h LYS 238 Ca 0.16 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 3k92 h LYS 238 Cb 0.25 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3k92 h LYS 238 CO -0.35 0.37 -0.13 0.35 -2.27 0.00 0.00 179.45 177.42 3k92 h PHE 239 N 0.47 0.59 0.46 1.91 3.04 0.25 -2.40 116.94 121.26 3k92 h PHE 239 Ca 0.12 -0.15 -0.02 0.00 3.98 0.00 0.00 57.97 61.90 3k92 h PHE 239 Cb 0.07 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.45 3k92 h PHE 239 CO 0.00 0.79 -0.22 0.52 -2.02 0.00 0.00 178.31 177.38 3k92 h MET 240 N 0.23 -0.59 -0.96 1.11 0.00 -0.99 -1.85 114.93 111.88 3k92 h MET 240 Ca 0.05 0.04 0.06 0.00 0.00 0.00 0.00 59.70 59.85 3k92 h MET 240 Cb 0.64 0.13 -0.06 0.00 0.00 0.00 0.00 31.60 32.31 3k92 h MET 240 CO 0.04 -0.33 0.61 1.25 0.00 0.00 0.00 176.91 178.48 3k92 h HIS 241 N -0.75 1.14 -0.79 -0.22 -0.00 -1.61 0.11 115.15 113.03 3k92 h HIS 241 Ca -0.06 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.31 3k92 h HIS 241 Cb 0.53 -0.37 -0.04 0.00 -0.00 0.00 0.00 27.41 27.53 3k92 h HIS 241 CO -0.02 0.60 0.40 -0.44 -0.00 0.00 0.00 177.93 178.48 3k92 h ASP 242 N 1.13 1.02 0.33 3.26 3.45 -1.28 -2.29 116.42 122.04 3k92 h ASP 242 Ca 0.41 -0.12 0.00 0.00 0.43 0.00 0.00 57.03 57.75 3k92 h ASP 242 Cb 0.15 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 38.66 3k92 h ASP 242 CO -0.17 0.85 -0.17 0.00 -1.57 0.00 0.00 179.24 178.18 3k92 n ALA 243 N -2.39 2.88 0.00 3.45 0.00 -0.71 -4.94 120.51 118.80 3k92 n ALA 243 Ca 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3k92 n ALA 243 Cb 0.12 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3k92 n ALA 243 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k92 n GLY 244 N 1.31 1.11 3.65 0.00 0.00 -0.48 -4.44 105.19 106.34 3k92 n GLY 244 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3k92 n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k92 s ALA 245 N -2.00 0.91 -0.32 4.61 0.00 0.24 -4.75 121.76 120.45 3k92 s ALA 245 Ca 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.81 3k92 s ALA 245 Cb 0.00 -3.19 0.08 0.00 0.00 0.00 0.00 23.12 20.01 3k92 s ALA 245 CO 0.00 -2.86 0.02 0.15 0.00 0.00 0.00 175.76 173.07 3k92 s LYS 246 N -4.84 2.07 -0.60 0.00 1.02 -1.06 -3.81 119.74 112.52 3k92 s LYS 246 Ca 0.65 -1.54 -0.27 0.00 0.02 0.00 0.00 55.97 54.83 3k92 s LYS 246 Cb -0.20 -3.19 0.00 0.00 -0.52 0.00 0.00 37.83 33.92 3k92 s LYS 246 CO 0.59 -0.77 1.55 0.08 -0.92 0.00 0.00 175.35 175.88 3k92 s VAL 247 N 1.11 3.61 0.03 3.17 1.01 -1.26 -2.91 120.40 125.15 3k92 s VAL 247 Ca 0.00 0.45 -0.21 0.00 0.00 0.00 0.00 61.98 62.23 3k92 s VAL 247 Cb -0.20 -4.34 -0.11 0.00 0.00 0.00 0.00 36.38 31.72 3k92 s VAL 247 CO -0.04 -1.20 1.20 0.40 0.00 0.00 0.00 175.10 175.46 3k92 h ILE 248 N 6.49 0.00 -2.37 2.22 2.04 -1.13 -3.10 117.51 121.66 3k92 h ILE 248 Ca -0.27 -0.07 -0.53 0.00 1.00 0.00 0.00 64.86 64.99 3k92 h ILE 248 Cb 1.11 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 3k92 h ILE 248 CO 1.21 0.00 -0.54 -0.83 0.00 0.00 0.00 178.15 177.98 3k92 s GLY 249 N -1.75 1.51 0.06 5.37 0.00 -1.21 -2.92 107.32 108.37 3k92 s GLY 249 Ca -0.11 -1.36 -0.03 0.00 0.00 0.00 0.00 44.72 43.22 3k92 s GLY 249 CO 0.33 -1.39 0.04 -0.42 0.00 0.00 0.00 173.10 171.66 3k92 s ILE 250 N -2.01 0.18 0.02 0.90 1.09 -1.17 -2.89 121.20 117.33 3k92 s ILE 250 Ca 0.32 -1.51 -0.19 0.00 -1.10 0.00 0.00 60.65 58.17 3k92 s ILE 250 Cb -0.09 -1.32 0.04 0.00 -1.06 0.00 0.00 42.46 40.04 3k92 s ILE 250 CO 0.24 -0.83 0.43 -0.55 -0.10 0.00 0.00 174.94 174.13 3k92 s SER 251 N -2.71 -0.33 0.00 3.58 0.15 -1.06 -1.74 113.70 111.59 3k92 s SER 251 Ca 0.03 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.82 3k92 s SER 251 Cb 0.05 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 3k92 s SER 251 CO -0.09 -0.61 0.00 -0.90 1.20 0.00 0.00 173.24 172.84 3k92 n ASP 252 N 0.73 0.21 -0.39 5.45 3.85 -1.26 -0.93 116.55 124.21 3k92 n ASP 252 Ca -0.19 0.00 -0.06 0.00 -0.71 0.00 0.00 54.79 53.83 3k92 n ASP 252 Cb 0.59 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 40.33 3k92 n ASP 252 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3k92 n ALA 253 N -3.00 -0.36 -1.72 2.12 0.00 -1.26 -4.54 120.51 111.75 3k92 n ALA 253 Ca 0.00 0.90 -0.30 0.00 0.00 0.00 0.00 53.44 54.04 3k92 n ALA 253 Cb 0.00 -0.29 0.18 0.00 0.00 0.00 0.00 19.45 19.34 3k92 n ALA 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3k92 s ASN 254 N -5.41 2.88 1.18 0.00 4.22 -1.26 -5.09 114.94 111.46 3k92 s ASN 254 Ca -0.13 0.46 -0.10 0.00 -2.14 0.00 0.00 52.86 50.96 3k92 s ASN 254 Cb 0.15 -0.64 0.15 0.00 1.28 0.00 0.00 41.25 42.19 3k92 s ASN 254 CO 0.65 -2.90 0.38 0.61 -2.04 0.00 0.00 177.10 173.80 3k92 n GLY 255 N -3.02 -3.53 3.81 0.45 0.00 -1.26 -4.88 105.19 96.76 3k92 n GLY 255 Ca 0.13 -1.31 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 3k92 n GLY 255 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k92 s GLY 256 N -2.66 2.33 -0.34 -0.02 0.00 -1.26 -4.05 107.32 101.32 3k92 s GLY 256 Ca 0.28 -1.80 0.04 0.00 0.00 0.00 0.00 44.72 43.23 3k92 s GLY 256 CO 0.23 -1.88 0.06 1.08 0.00 0.00 0.00 173.10 172.58 3k92 s LEU 257 N -4.03 4.53 0.70 0.66 1.43 -0.71 -4.37 118.68 116.89 3k92 s LEU 257 Ca 0.40 -2.13 -0.11 0.00 -1.03 0.00 0.00 54.13 51.26 3k92 s LEU 257 Cb 0.01 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.68 3k92 s LEU 257 CO 0.23 -0.38 1.06 -0.47 0.23 0.00 0.00 176.35 177.02 3k92 s TYR 258 N 0.95 3.05 0.00 0.29 5.04 -1.26 -3.02 117.35 122.40 3k92 s TYR 258 Ca 0.11 1.44 0.00 0.00 -2.44 0.00 0.00 57.07 56.18 3k92 s TYR 258 Cb -0.19 -2.90 0.00 0.00 0.35 0.00 0.00 41.96 39.22 3k92 s TYR 258 CO -0.09 -1.30 0.00 -1.71 -1.34 0.00 0.00 175.55 171.11 3k92 n ASN 259 N -3.18 0.00 -2.83 4.32 5.15 -1.15 -4.95 115.26 112.62 3k92 n ASN 259 Ca 0.08 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.06 3k92 n ASN 259 Cb 0.53 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 3k92 n ASN 259 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3k92 n PRO 260 N 0.00 -1.53 -1.11 1.20 -0.04 -1.26 -3.80 135.00 128.46 3k92 n PRO 260 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 3k92 n PRO 260 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 3k92 n PRO 260 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3k92 n ASP 261 N -2.91 -2.21 -1.19 3.54 5.75 -1.26 -4.50 116.55 113.76 3k92 n ASP 261 Ca 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 54.79 54.95 3k92 n ASP 261 Cb 0.00 -2.14 0.00 0.00 -1.03 0.00 0.00 41.12 37.95 3k92 n ASP 261 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k92 n GLY 262 N -0.07 -2.78 3.77 6.12 0.00 -1.25 -5.00 105.19 105.98 3k92 n GLY 262 Ca -0.07 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 3k92 n GLY 262 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k92 s LEU 263 N 0.00 4.33 -0.64 0.99 1.43 -1.17 -4.96 118.68 118.67 3k92 s LEU 263 Ca 0.00 3.00 -0.28 0.00 -1.03 0.00 0.00 54.13 55.82 3k92 s LEU 263 Cb 0.00 -3.65 0.03 0.00 0.03 0.00 0.00 46.19 42.60 3k92 s LEU 263 CO 0.00 -0.89 1.22 -0.62 0.23 0.00 0.00 176.35 176.30 3k92 s ASP 264 N 0.14 6.35 0.07 2.29 2.15 -1.26 -4.68 116.67 121.74 3k92 s ASP 264 Ca 0.57 -0.09 -0.04 0.00 0.43 0.00 0.00 52.55 53.43 3k92 s ASP 264 Cb -0.47 -2.56 -0.28 0.00 -0.30 0.00 0.00 42.92 39.31 3k92 s ASP 264 CO 0.56 -1.61 1.13 0.40 -0.17 0.00 0.00 175.17 175.49 3k92 h ILE 265 N 6.11 1.49 -0.67 4.11 1.08 -1.95 -2.96 117.51 124.73 3k92 h ILE 265 Ca -0.26 -3.06 0.07 0.00 -0.39 0.00 0.00 64.86 61.22 3k92 h ILE 265 Cb 1.05 2.94 -0.06 0.00 -3.07 0.00 0.00 36.82 37.68 3k92 h ILE 265 CO 1.22 0.89 0.35 -0.65 -0.69 0.00 0.00 178.15 179.27 3k92 h PRO 266 N 0.07 0.61 -0.54 2.37 0.11 -1.97 -1.28 132.00 131.37 3k92 h PRO 266 Ca -0.14 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 66.04 3k92 h PRO 266 Cb 1.97 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.91 3k92 h PRO 266 CO 0.20 0.40 0.37 -0.92 -0.21 0.00 0.00 178.00 177.84 3k92 h TYR 267 N 0.62 0.32 0.00 0.65 3.20 -1.96 -2.96 116.97 116.85 3k92 h TYR 267 Ca 0.31 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.19 3k92 h TYR 267 Cb 0.26 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.43 3k92 h TYR 267 CO -0.10 0.15 0.00 1.28 -1.64 0.00 0.00 178.16 177.86 3k92 n LEU 268 N -4.46 4.49 -2.86 2.82 4.77 -0.48 -5.13 117.00 116.15 3k92 n LEU 268 Ca 0.09 -2.07 -0.12 0.00 -0.03 0.00 0.00 56.01 53.89 3k92 n LEU 268 Cb 0.39 -0.91 0.04 0.00 -2.33 0.00 0.00 43.42 40.61 3k92 n LEU 268 CO 0.34 0.83 0.05 0.18 -1.33 0.00 0.00 177.39 177.47 3k92 n LEU 269 N 1.21 -0.19 -4.77 2.23 7.99 -1.12 -5.06 117.00 117.29 3k92 n LEU 269 Ca 0.00 -4.11 -0.39 0.00 -0.01 0.00 0.00 56.01 51.51 3k92 n LEU 269 Cb 0.48 0.57 -0.02 0.00 -0.11 0.00 0.00 43.42 44.35 3k92 n LEU 269 CO 0.00 1.98 0.88 0.28 -1.51 0.00 0.00 177.39 179.02 3k92 s THR 287 N -1.56 3.00 0.02 -5.08 -1.32 -1.26 -5.20 115.64 104.25 3k92 s THR 287 Ca 0.29 0.86 -0.26 0.00 -1.21 0.00 0.00 61.69 61.37 3k92 s THR 287 Cb 0.37 -3.49 -0.17 0.00 -1.51 0.00 0.00 72.50 67.70 3k92 s THR 287 CO -0.04 0.10 1.34 0.78 -2.21 0.00 0.00 174.62 174.59 3k92 h ASN 288 N 2.70 -0.37 -0.81 8.08 4.21 -1.91 -2.94 115.58 124.54 3k92 h ASN 288 Ca -0.49 -0.14 0.21 0.00 1.21 0.00 0.00 56.30 57.09 3k92 h ASN 288 Cb 1.24 0.10 -0.05 0.00 -1.12 0.00 0.00 38.32 38.49 3k92 h ASN 288 CO 0.63 -0.06 0.56 -0.33 -1.29 0.00 0.00 177.43 176.94 3k92 h GLU 289 N -0.70 0.18 -0.05 0.81 3.07 -2.01 -1.47 114.58 114.41 3k92 h GLU 289 Ca -0.04 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 3k92 h GLU 289 Cb 0.49 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.35 3k92 h GLU 289 CO 0.07 0.12 -0.00 1.49 -1.40 0.00 0.00 179.01 179.29 3k92 h GLU 290 N 0.18 0.09 -0.68 2.33 4.81 -1.97 -3.23 114.58 116.11 3k92 h GLU 290 Ca 0.40 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.62 3k92 h GLU 290 Cb 1.30 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.63 3k92 h GLU 290 CO -0.08 0.38 0.45 1.25 -0.73 0.00 0.00 179.01 180.29 3k92 h LEU 291 N -0.22 0.77 -1.68 1.64 6.46 -1.21 -1.83 115.31 119.23 3k92 h LEU 291 Ca 0.01 -0.02 0.06 0.00 -0.12 0.00 0.00 57.88 57.82 3k92 h LEU 291 Cb 0.34 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 3k92 h LEU 291 CO 0.00 0.55 0.32 -0.07 -0.62 0.00 0.00 178.44 178.62 3k92 h LEU 292 N 0.90 0.34 -1.67 2.25 3.38 -1.50 -2.98 115.31 116.02 3k92 h LEU 292 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3k92 h LEU 292 Cb -0.07 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3k92 h LEU 292 CO -0.06 0.22 -0.10 -0.62 0.09 0.00 0.00 178.44 177.98 3k92 n GLU 293 N -4.47 1.93 -2.06 1.13 1.02 -0.70 -4.59 120.64 112.90 3k92 n GLU 293 Ca 0.07 -1.64 -0.28 0.00 -0.02 0.00 0.00 57.16 55.28 3k92 n GLU 293 Cb 0.26 -1.43 0.15 0.00 -0.02 0.00 0.00 31.44 30.40 3k92 n GLU 293 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3k92 s LYS 294 N -1.96 1.15 0.36 3.49 -0.14 -1.13 -4.45 119.74 117.05 3k92 s LYS 294 Ca 0.24 -0.44 -0.19 0.00 -1.36 0.00 0.00 55.97 54.22 3k92 s LYS 294 Cb 0.18 -1.97 -0.10 0.00 -1.68 0.00 0.00 37.83 34.26 3k92 s LYS 294 CO 0.33 -2.03 0.85 0.34 -0.76 0.00 0.00 175.35 174.08 3k92 s ASP 295 N -4.79 6.94 0.00 2.83 3.68 -1.26 -4.22 116.67 119.85 3k92 s ASP 295 Ca 0.70 1.53 0.00 0.00 2.13 0.00 0.00 52.55 56.91 3k92 s ASP 295 Cb -0.06 -2.47 0.00 0.00 -1.45 0.00 0.00 42.92 38.94 3k92 s ASP 295 CO 0.50 -0.23 0.00 0.00 0.13 0.00 0.00 175.17 175.57 3k92 h ASP 297 N 0.00 0.44 -3.31 0.00 5.19 -0.87 -3.20 116.42 114.67 3k92 h ASP 297 Ca 0.00 -0.77 -0.54 0.00 -0.62 0.00 0.00 57.03 55.10 3k92 h ASP 297 Cb 0.00 -0.14 -0.35 0.00 0.18 0.00 0.00 39.33 39.03 3k92 h ASP 297 CO 0.00 1.15 -0.82 -0.63 -3.12 0.00 0.00 179.24 175.83 3k92 s ILE 298 N -3.16 1.22 -0.22 0.35 1.01 -1.23 -1.37 121.20 117.80 3k92 s ILE 298 Ca -0.14 -0.48 -0.07 0.00 0.00 0.00 0.00 60.65 59.96 3k92 s ILE 298 Cb 0.03 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 3k92 s ILE 298 CO 0.80 0.38 0.05 -0.22 0.00 0.00 0.00 174.94 175.95 3k92 s LEU 299 N 1.03 3.50 -0.37 2.97 0.20 -0.80 -0.59 118.68 124.61 3k92 s LEU 299 Ca -0.07 -0.13 0.01 0.00 0.69 0.00 0.00 54.13 54.63 3k92 s LEU 299 Cb -0.15 -1.91 0.10 0.00 -0.43 0.00 0.00 46.19 43.81 3k92 s LEU 299 CO -0.01 0.05 0.12 0.54 -0.29 0.00 0.00 176.35 176.75 3k92 s VAL 300 N 1.13 2.71 0.63 1.68 0.11 -0.84 -2.48 120.40 123.35 3k92 s VAL 300 Ca 0.04 -2.22 -0.18 0.00 -2.93 0.00 0.00 61.98 56.68 3k92 s VAL 300 Cb -0.14 -2.93 -0.03 0.00 -1.53 0.00 0.00 36.38 31.75 3k92 s VAL 300 CO 0.03 -0.64 1.16 -2.65 -3.33 0.00 0.00 175.10 169.67 3k92 n PRO 301 N 4.40 1.03 -2.97 1.54 -0.02 -1.25 -1.75 135.00 135.98 3k92 n PRO 301 Ca 0.01 0.40 -0.26 0.00 -2.02 0.00 0.00 63.50 61.63 3k92 n PRO 301 Cb 0.42 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.50 3k92 n PRO 301 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k92 s ALA 302 N -1.44 3.52 0.25 3.55 0.00 -1.22 -3.35 121.76 123.08 3k92 s ALA 302 Ca 0.80 -0.63 0.21 0.00 0.00 0.00 0.00 51.96 52.34 3k92 s ALA 302 Cb -0.39 -2.41 0.71 0.00 0.00 0.00 0.00 23.12 21.03 3k92 s ALA 302 CO 0.43 -0.16 0.68 0.00 0.00 0.00 0.00 175.76 176.71 3k92 n ALA 303 N -1.90 0.78 -2.53 0.00 0.00 -1.26 -4.56 120.51 111.05 3k92 n ALA 303 Ca -0.01 0.27 -0.19 0.00 0.00 0.00 0.00 53.44 53.50 3k92 n ALA 303 Cb 0.55 -0.47 -0.01 0.00 0.00 0.00 0.00 19.45 19.53 3k92 n ALA 303 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3k92 s ILE 304 N -3.70 4.24 0.97 0.00 -4.36 -1.26 -4.60 121.20 112.49 3k92 s ILE 304 Ca -0.02 -0.96 -0.16 0.00 -0.26 0.00 0.00 60.65 59.25 3k92 s ILE 304 Cb 0.11 -3.48 0.21 0.00 1.25 0.00 0.00 42.46 40.55 3k92 s ILE 304 CO 0.37 -0.19 1.32 -0.44 0.24 0.00 0.00 174.94 176.23 3k92 s SER 305 N -4.15 3.00 -0.23 4.36 0.01 -1.26 -4.46 113.70 110.97 3k92 s SER 305 Ca 0.44 0.27 -0.03 0.00 1.31 0.00 0.00 55.95 57.94 3k92 s SER 305 Cb -0.09 -0.31 0.03 0.00 0.21 0.00 0.00 66.02 65.85 3k92 s SER 305 CO 0.31 -2.81 0.07 0.59 0.41 0.00 0.00 173.24 171.81 3k92 n ASN 306 N -3.82 -0.19 -0.02 2.44 3.02 -1.15 -4.77 115.26 110.77 3k92 n ASN 306 Ca 0.15 -0.16 0.14 0.00 -0.03 0.00 0.00 54.58 54.68 3k92 n ASN 306 Cb 0.59 -0.20 0.54 0.00 -0.61 0.00 0.00 39.78 40.10 3k92 n ASN 306 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k92 n GLN 307 N -0.99 0.16 -4.86 3.52 6.02 -0.98 -4.76 117.38 115.50 3k92 n GLN 307 Ca 0.01 -0.04 -0.26 0.00 -0.01 0.00 0.00 57.00 56.69 3k92 n GLN 307 Cb 0.06 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 29.67 3k92 n GLN 307 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3k92 s ILE 308 N -2.87 1.63 0.28 5.09 1.01 -1.07 -5.04 121.20 120.23 3k92 s ILE 308 Ca 0.17 -0.99 -0.20 0.00 0.00 0.00 0.00 60.65 59.63 3k92 s ILE 308 Cb 0.19 -1.38 0.02 0.00 0.01 0.00 0.00 42.46 41.30 3k92 s ILE 308 CO 0.56 0.36 0.70 0.42 0.00 0.00 0.00 174.94 176.97 3k92 s THR 309 N -0.60 0.00 0.28 2.92 -4.23 -1.26 -3.05 115.64 109.70 3k92 s THR 309 Ca 0.08 -1.05 0.05 0.00 -1.18 0.00 0.00 61.69 59.59 3k92 s THR 309 Cb -0.08 -2.08 0.35 0.00 1.34 0.00 0.00 72.50 72.03 3k92 s THR 309 CO 0.00 0.00 1.36 0.00 -0.54 0.00 0.00 174.62 175.44 3k92 n ALA 310 N -0.46 0.54 -2.51 3.99 0.00 -1.26 -0.04 120.51 120.78 3k92 n ALA 310 Ca -0.04 0.92 -0.42 0.00 0.00 0.00 0.00 53.44 53.89 3k92 n ALA 310 Cb 0.59 -0.73 -0.08 0.00 0.00 0.00 0.00 19.45 19.24 3k92 n ALA 310 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3k92 s LYS 311 N -5.71 3.29 0.00 0.00 0.00 -1.26 -3.80 119.74 112.25 3k92 s LYS 311 Ca -0.10 -0.51 0.00 0.00 0.00 0.00 0.00 55.97 55.36 3k92 s LYS 311 Cb 0.26 -3.92 0.00 0.00 0.00 0.00 0.00 37.83 34.18 3k92 s LYS 311 CO 0.68 -0.83 0.00 0.09 0.00 0.00 0.00 175.35 175.29 3k92 n ASN 312 N 5.79 0.00 -4.51 0.03 3.02 -1.13 -4.94 115.26 113.52 3k92 n ASN 312 Ca -0.05 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.18 3k92 n ASN 312 Cb 0.48 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.80 3k92 n ASN 312 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k92 n ALA 313 N 0.00 -2.02 0.00 5.41 0.00 0.94 -1.08 120.51 123.77 3k92 n ALA 313 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.78 3k92 n ALA 313 Cb 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.50 3k92 n ALA 313 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3k92 n HIS 314 N -3.98 0.00 0.32 0.00 8.25 -1.26 -4.62 115.22 113.94 3k92 n HIS 314 Ca 0.08 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.66 3k92 n HIS 314 Cb 0.53 0.00 0.16 0.00 1.12 0.00 0.00 29.99 31.80 3k92 n HIS 314 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 3k92 h ASN 315 N 0.00 0.00 -2.92 0.41 2.35 -1.49 -3.45 115.58 110.48 3k92 h ASN 315 Ca 0.00 -0.04 -0.53 0.00 -0.55 0.00 0.00 56.30 55.17 3k92 h ASN 315 Cb 0.00 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.39 3k92 h ASN 315 CO 0.00 0.02 0.80 -0.63 -1.65 0.00 0.00 177.43 175.97 3k92 s ILE 316 N -3.23 3.27 -0.13 2.81 1.09 -0.89 -4.57 121.20 119.55 3k92 s ILE 316 Ca 0.05 0.85 0.18 0.00 -1.10 0.00 0.00 60.65 60.64 3k92 s ILE 316 Cb 0.09 -3.55 -0.22 0.00 -1.06 0.00 0.00 42.46 37.72 3k92 s ILE 316 CO 0.70 0.04 0.49 0.00 -0.10 0.00 0.00 174.94 176.08 3k92 n GLN 317 N 4.44 0.65 -1.65 2.79 6.02 -1.26 -4.93 117.38 123.44 3k92 n GLN 317 Ca 0.13 0.06 -0.47 0.00 -0.01 0.00 0.00 57.00 56.70 3k92 n GLN 317 Cb 0.42 -1.65 -0.04 0.00 1.02 0.00 0.00 30.24 29.99 3k92 n GLN 317 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3k92 n ALA 318 N -2.49 0.79 0.55 -1.58 0.00 -1.21 -4.76 120.51 111.82 3k92 n ALA 318 Ca -0.17 0.46 0.09 0.00 0.00 0.00 0.00 53.44 53.82 3k92 n ALA 318 Cb 0.90 -2.27 0.39 0.00 0.00 0.00 0.00 19.45 18.46 3k92 n ALA 318 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3k92 n SER 319 N 3.01 0.15 -3.42 0.00 3.41 -0.47 -4.79 113.62 111.51 3k92 n SER 319 Ca 0.16 0.53 -0.14 0.00 -0.26 0.00 0.00 58.87 59.16 3k92 n SER 319 Cb 0.27 -0.57 -0.10 0.00 -0.26 0.00 0.00 64.21 63.55 3k92 n SER 319 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3k92 s ILE 320 N -3.06 -0.45 -0.28 -1.33 1.01 -0.86 -1.70 121.20 114.53 3k92 s ILE 320 Ca 0.08 -0.13 -0.05 0.00 0.00 0.00 0.00 60.65 60.55 3k92 s ILE 320 Cb 0.11 -0.76 0.02 0.00 0.01 0.00 0.00 42.46 41.83 3k92 s ILE 320 CO 0.33 -0.19 0.04 -0.69 0.00 0.00 0.00 174.94 174.43 3k92 s VAL 321 N 2.43 3.61 -0.41 2.92 1.01 0.49 -1.91 120.40 128.54 3k92 s VAL 321 Ca 0.10 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.14 3k92 s VAL 321 Cb -0.15 -2.87 0.06 0.00 0.00 0.00 0.00 36.38 33.42 3k92 s VAL 321 CO -0.15 0.10 0.25 -0.69 0.00 0.00 0.00 175.10 174.61 3k92 s VAL 322 N 1.44 4.42 -0.18 2.92 1.01 -1.03 -0.17 120.40 128.80 3k92 s VAL 322 Ca 0.01 -1.20 -0.26 0.00 0.00 0.00 0.00 61.98 60.53 3k92 s VAL 322 Cb -0.17 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 3k92 s VAL 322 CO 0.00 -0.42 0.89 -1.83 0.00 0.00 0.00 175.10 173.74 3k92 s GLU 323 N 1.48 4.30 0.00 2.72 -1.05 -0.75 -3.78 118.70 121.62 3k92 s GLU 323 Ca 0.03 1.13 0.22 0.00 -0.15 0.00 0.00 54.97 56.19 3k92 s GLU 323 Cb -0.22 -3.59 0.43 0.00 -0.44 0.00 0.00 34.13 30.31 3k92 s GLU 323 CO 0.04 -0.40 1.38 -2.13 0.95 0.00 0.00 175.26 175.11 3k92 n ARG 324 N 5.46 2.48 -4.12 -4.83 3.00 -1.21 -4.08 116.66 113.35 3k92 n ARG 324 Ca 0.07 -2.28 -0.14 0.00 -0.00 0.00 0.00 57.85 55.50 3k92 n ARG 324 Cb 0.48 -1.49 -0.06 0.00 0.00 0.00 0.00 32.46 31.39 3k92 n ARG 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3k92 s ALA 325 N -1.38 0.80 -0.30 5.13 0.00 -1.26 -4.75 121.76 120.00 3k92 s ALA 325 Ca 0.38 -1.51 -0.26 0.00 0.00 0.00 0.00 51.96 50.57 3k92 s ALA 325 Cb 0.22 1.23 0.01 0.00 0.00 0.00 0.00 23.12 24.57 3k92 s ALA 325 CO 0.30 -0.75 0.92 1.21 0.00 0.00 0.00 175.76 177.45 3k92 s ASN 326 N -3.20 6.82 0.00 0.00 2.47 -1.26 -4.28 114.94 115.48 3k92 s ASN 326 Ca 0.32 0.90 0.00 0.00 0.42 0.00 0.00 52.86 54.50 3k92 s ASN 326 Cb 0.01 -2.47 0.00 0.00 -1.45 0.00 0.00 41.25 37.34 3k92 s ASN 326 CO 0.18 -0.71 0.00 0.61 -3.72 0.00 0.00 177.10 173.45 3k92 n GLY 327 N 3.96 0.85 0.30 1.21 0.00 -1.26 -4.61 105.19 105.64 3k92 n GLY 327 Ca 0.08 -0.03 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 3k92 n GLY 327 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k92 h PRO 328 N 2.84 1.02 -5.43 1.61 0.13 -1.78 -3.05 132.00 127.34 3k92 h PRO 328 Ca 0.00 -0.16 -0.61 0.00 -0.87 0.00 0.00 66.00 64.37 3k92 h PRO 328 Cb 0.00 -0.18 -0.12 0.00 0.13 0.00 0.00 31.00 30.83 3k92 h PRO 328 CO 0.00 0.81 -0.07 0.99 -0.23 0.00 0.00 178.00 179.50 3k92 s THR 329 N -5.67 5.11 0.99 1.56 2.01 -1.26 -2.31 115.64 116.06 3k92 s THR 329 Ca -0.13 0.87 -0.12 0.00 0.31 0.00 0.00 61.69 62.62 3k92 s THR 329 Cb 0.14 -3.81 0.18 0.00 0.01 0.00 0.00 72.50 69.03 3k92 s THR 329 CO 0.81 0.15 1.08 -0.89 -0.69 0.00 0.00 174.62 175.08 3k92 s THR 330 N 1.87 2.31 0.04 -0.82 2.01 -1.17 -4.77 115.64 115.11 3k92 s THR 330 Ca 0.22 0.10 -0.27 0.00 0.31 0.00 0.00 61.69 62.05 3k92 s THR 330 Cb -0.15 -2.36 -0.17 0.00 0.01 0.00 0.00 72.50 69.82 3k92 s THR 330 CO 0.09 -0.13 1.45 0.16 -0.69 0.00 0.00 174.62 175.50 3k92 h ILE 331 N -1.98 0.67 -0.54 1.82 3.07 -1.96 -1.01 117.51 117.58 3k92 h ILE 331 Ca -0.52 -0.32 0.11 0.00 1.55 0.00 0.00 64.86 65.67 3k92 h ILE 331 Cb 1.30 0.84 -0.09 0.00 -0.27 0.00 0.00 36.82 38.60 3k92 h ILE 331 CO 0.51 0.06 -0.01 0.44 -1.05 0.00 0.00 178.15 178.11 3k92 h ASP 332 N -0.65 -0.25 -0.35 2.16 5.19 -1.98 -0.85 116.42 119.70 3k92 h ASP 332 Ca -0.05 0.13 -0.07 0.00 -0.62 0.00 0.00 57.03 56.42 3k92 h ASP 332 Cb 0.46 0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.19 3k92 h ASP 332 CO 0.08 -0.09 -0.02 0.00 -3.12 0.00 0.00 179.24 176.09 3k92 h ALA 333 N 1.48 1.15 -0.36 3.45 0.00 -1.85 -2.40 119.26 120.74 3k92 h ALA 333 Ca 0.27 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3k92 h ALA 333 Cb 0.42 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3k92 h ALA 333 CO -0.46 0.55 0.21 1.79 0.00 0.00 0.00 179.25 181.34 3k92 h THR 334 N 0.68 1.11 -0.14 0.00 1.35 0.22 -2.20 112.91 113.92 3k92 h THR 334 Ca 0.13 -0.24 -0.05 0.00 -0.55 0.00 0.00 66.41 65.70 3k92 h THR 334 Cb 0.44 0.61 -0.00 0.00 -1.73 0.00 0.00 68.15 67.46 3k92 h THR 334 CO 0.02 0.11 -0.11 0.07 -0.25 0.00 0.00 175.52 175.36 3k92 h LYS 335 N 0.49 0.33 -0.60 4.72 2.10 -0.96 -3.12 116.57 119.53 3k92 h LYS 335 Ca 0.13 -0.16 0.10 0.00 -2.00 0.00 0.00 60.65 58.72 3k92 h LYS 335 Cb -0.01 -0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.24 3k92 h LYS 335 CO -0.02 0.69 0.21 0.82 -2.00 0.00 0.00 179.45 179.14 3k92 h ILE 336 N -0.03 0.75 -0.35 0.07 2.04 -1.15 0.20 117.51 119.04 3k92 h ILE 336 Ca 0.03 -0.13 -0.16 0.00 1.00 0.00 0.00 64.86 65.60 3k92 h ILE 336 Cb 0.61 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3k92 h ILE 336 CO 0.03 0.07 -0.40 -0.07 0.00 0.00 0.00 178.15 177.78 3k92 h LEU 337 N 0.38 0.97 0.38 1.44 4.07 -1.47 0.50 115.31 121.56 3k92 h LEU 337 Ca 0.31 -0.48 -0.01 0.00 0.08 0.00 0.00 57.88 57.78 3k92 h LEU 337 Cb 0.39 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 3k92 h LEU 337 CO -0.32 1.25 -0.24 -1.13 -1.08 0.00 0.00 178.44 176.92 3k92 h ASN 338 N 0.70 -0.61 -0.85 -0.43 -1.24 -1.40 -0.25 115.58 111.50 3k92 h ASN 338 Ca 0.05 0.04 0.13 0.00 0.71 0.00 0.00 56.30 57.23 3k92 h ASN 338 Cb 1.00 0.18 -0.14 0.00 0.73 0.00 0.00 38.32 40.09 3k92 h ASN 338 CO 0.10 -0.38 -0.38 -0.33 -1.29 0.00 0.00 177.43 175.15 3k92 h GLU 339 N -0.60 -0.06 0.00 6.67 5.08 -0.26 -1.95 114.58 123.47 3k92 h GLU 339 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3k92 h GLU 339 Cb 0.50 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3k92 h GLU 339 CO 0.03 -0.04 0.00 0.54 -1.00 0.00 0.00 179.01 178.54 3k92 n ARG 340 N -5.45 0.15 -0.20 2.33 1.74 0.14 -4.89 116.66 110.48 3k92 n ARG 340 Ca 0.08 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 3k92 n ARG 340 Cb 0.38 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 3k92 n ARG 340 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k92 n GLY 341 N 0.90 0.85 3.71 -0.13 0.00 -0.29 -5.06 105.19 105.17 3k92 n GLY 341 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3k92 n GLY 341 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k92 s VAL 342 N -2.07 4.88 -0.73 1.61 0.11 -0.26 -4.97 120.40 118.97 3k92 s VAL 342 Ca 0.00 1.95 -0.26 0.00 -2.93 0.00 0.00 61.98 60.74 3k92 s VAL 342 Cb 0.00 -4.27 0.01 0.00 -1.53 0.00 0.00 36.38 30.59 3k92 s VAL 342 CO 0.00 0.14 1.48 -0.22 -3.33 0.00 0.00 175.10 173.18 3k92 s LEU 343 N 1.18 3.22 -0.72 2.54 2.96 -0.69 -3.95 118.68 123.23 3k92 s LEU 343 Ca 0.49 -0.32 -0.20 0.00 -0.22 0.00 0.00 54.13 53.88 3k92 s LEU 343 Cb -0.20 -2.55 0.11 0.00 0.50 0.00 0.00 46.19 44.05 3k92 s LEU 343 CO 0.24 -2.00 0.90 -0.22 -1.32 0.00 0.00 176.35 173.95 3k92 s LEU 344 N 6.79 5.12 -0.53 -0.68 1.98 -1.26 -0.38 118.68 129.72 3k92 s LEU 344 Ca 0.46 -1.57 -0.27 0.00 -2.89 0.00 0.00 54.13 49.86 3k92 s LEU 344 Cb -0.09 -2.35 -0.02 0.00 0.66 0.00 0.00 46.19 44.39 3k92 s LEU 344 CO 0.14 -1.15 1.82 -0.69 -1.89 0.00 0.00 176.35 174.58 3k92 s VAL 345 N 2.88 3.41 0.84 1.68 1.01 0.76 -4.62 120.40 126.36 3k92 s VAL 345 Ca 0.21 0.31 -0.11 0.00 0.00 0.00 0.00 61.98 62.39 3k92 s VAL 345 Cb -0.16 -3.87 0.09 0.00 0.00 0.00 0.00 36.38 32.44 3k92 s VAL 345 CO 0.02 -0.77 1.09 -2.16 0.00 0.00 0.00 175.10 173.28 3k92 s PRO 346 N 6.59 1.73 0.09 2.72 0.04 -1.26 -1.80 135.00 143.11 3k92 s PRO 346 Ca 0.70 0.83 -0.14 0.00 0.04 0.00 0.00 61.00 62.43 3k92 s PRO 346 Cb -0.15 -1.86 -0.18 0.00 0.04 0.00 0.00 34.50 32.35 3k92 s PRO 346 CO 0.25 -1.91 1.27 0.22 0.04 0.00 0.00 177.00 176.86 3k92 h ASP 347 N -1.31 0.91 -1.13 6.66 1.82 -1.84 -1.55 116.42 119.98 3k92 h ASP 347 Ca -0.48 -0.66 0.33 0.00 -0.39 0.00 0.00 57.03 55.83 3k92 h ASP 347 Cb 1.27 -0.27 -0.05 0.00 0.68 0.00 0.00 39.33 40.96 3k92 h ASP 347 CO 0.56 1.43 0.86 -0.29 -1.61 0.00 0.00 179.24 180.19 3k92 h ILE 348 N 0.46 0.35 0.06 2.25 2.10 -1.91 0.19 117.51 121.01 3k92 h ILE 348 Ca -0.07 0.00 -0.37 0.00 1.08 0.00 0.00 64.86 65.49 3k92 h ILE 348 Cb 1.46 0.39 -0.04 0.00 -1.09 0.00 0.00 36.82 37.53 3k92 h ILE 348 CO 0.17 0.00 -2.21 -0.11 -1.08 0.00 0.00 178.15 174.91 3k92 n LEU 349 N -4.05 2.69 0.03 2.19 7.94 -1.03 -4.05 117.00 120.71 3k92 n LEU 349 Ca 0.24 0.06 -0.05 0.00 -1.11 0.00 0.00 56.01 55.15 3k92 n LEU 349 Cb 1.24 -0.96 0.16 0.00 0.53 0.00 0.00 43.42 44.39 3k92 n LEU 349 CO 0.38 0.87 0.63 0.00 -1.11 0.00 0.00 177.39 178.17 3k92 h ALA 350 N 0.09 0.98 -0.38 1.96 0.00 -0.11 -2.75 119.26 119.05 3k92 h ALA 350 Ca -0.49 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.00 3k92 h ALA 350 Cb 1.98 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.67 3k92 h ALA 350 CO 0.01 0.61 0.00 -1.13 0.00 0.00 0.00 179.25 178.74 3k92 n SER 351 N -4.04 2.38 0.00 0.00 3.41 -0.10 -2.82 113.62 112.45 3k92 n SER 351 Ca -0.01 -1.93 0.11 0.00 -0.26 0.00 0.00 58.87 56.78 3k92 n SER 351 Cb 0.49 -0.25 0.59 0.00 -0.26 0.00 0.00 64.21 64.78 3k92 n SER 351 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k92 n ALA 352 N 0.79 2.21 0.04 7.33 0.00 -1.04 -3.15 120.51 126.69 3k92 n ALA 352 Ca 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 53.44 53.46 3k92 n ALA 352 Cb 0.40 -1.34 0.26 0.00 0.00 0.00 0.00 19.45 18.76 3k92 n ALA 352 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3k92 h GLY 353 N 3.38 0.46 0.85 0.00 0.00 -1.80 -1.69 103.07 104.27 3k92 h GLY 353 Ca 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 3k92 h GLY 353 CO 0.00 0.31 -0.35 -1.33 0.00 0.00 0.00 176.54 175.17 3k92 h GLY 354 N 0.96 -0.94 0.99 4.60 0.00 -1.73 -1.18 103.07 105.77 3k92 h GLY 354 Ca 0.07 0.39 0.07 0.00 0.00 0.00 0.00 47.33 47.86 3k92 h GLY 354 CO 0.04 -0.34 0.48 -2.08 0.00 0.00 0.00 176.54 174.64 3k92 h VAL 355 N -0.87 1.00 -0.38 4.60 2.07 -1.78 -2.70 116.25 118.18 3k92 h VAL 355 Ca -0.07 -0.25 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 3k92 h VAL 355 Cb 0.71 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3k92 h VAL 355 CO 0.07 0.13 -0.19 0.74 0.02 0.00 0.00 177.57 178.34 3k92 h THR 356 N 0.74 1.27 0.00 2.57 2.02 -0.69 -2.44 112.91 116.38 3k92 h THR 356 Ca 0.32 -1.28 -0.05 0.00 0.77 0.00 0.00 66.41 66.18 3k92 h THR 356 Cb 0.31 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 3k92 h THR 356 CO -0.11 0.43 -0.36 -0.37 0.37 0.00 0.00 175.52 175.47 3k92 h VAL 357 N 0.65 0.32 -0.33 3.16 -1.51 -1.05 -2.06 116.25 115.44 3k92 h VAL 357 Ca 0.10 -1.47 -0.10 0.00 -1.23 0.00 0.00 66.70 63.99 3k92 h VAL 357 Cb 0.68 2.09 -0.01 0.00 -2.13 0.00 0.00 31.29 31.92 3k92 h VAL 357 CO 0.05 0.18 -0.22 0.77 -1.23 0.00 0.00 177.57 177.12 3k92 h SER 358 N 0.00 0.65 -0.53 4.19 4.64 -1.34 -1.46 113.55 119.69 3k92 h SER 358 Ca -0.01 -0.22 -0.02 0.00 -0.47 0.00 0.00 61.79 61.07 3k92 h SER 358 Cb 1.17 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.06 3k92 h SER 358 CO 0.02 0.86 0.25 0.22 -0.87 0.00 0.00 176.83 177.31 3k92 h TYR 359 N 0.57 0.77 -0.31 4.77 3.20 -1.28 -2.05 116.97 122.63 3k92 h TYR 359 Ca 0.08 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 3k92 h TYR 359 Cb 0.69 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 3k92 h TYR 359 CO 0.03 0.60 -0.07 0.74 -1.64 0.00 0.00 178.16 177.82 3k92 h PHE 360 N 0.71 0.54 -0.17 -3.82 0.04 -1.14 -0.53 116.94 112.57 3k92 h PHE 360 Ca 0.18 -0.07 0.03 0.00 2.80 0.00 0.00 57.97 60.91 3k92 h PHE 360 Cb 0.13 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.10 3k92 h PHE 360 CO -0.00 0.58 0.01 1.49 -0.60 0.00 0.00 178.31 179.79 3k92 h GLU 361 N 0.48 0.07 -0.22 1.51 4.81 -0.94 -1.60 114.58 118.69 3k92 h GLU 361 Ca 0.10 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.34 3k92 h GLU 361 Cb 0.42 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 3k92 h GLU 361 CO 0.02 0.05 0.07 2.35 -0.73 0.00 0.00 179.01 180.77 3k92 h TRP 362 N 0.07 0.13 -0.98 0.92 7.01 -0.72 -0.29 115.95 122.10 3k92 h TRP 362 Ca 0.08 0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.16 3k92 h TRP 362 Cb 0.09 -0.03 -0.07 0.00 -2.10 0.00 0.00 29.16 27.06 3k92 h TRP 362 CO -0.15 0.06 0.63 0.28 -2.79 0.00 0.00 178.44 176.46 3k92 h VAL 363 N 0.17 1.08 -0.45 2.65 2.07 -0.92 0.46 116.25 121.31 3k92 h VAL 363 Ca 0.10 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 67.13 3k92 h VAL 363 Cb 0.07 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.66 3k92 h VAL 363 CO -0.10 0.21 -0.12 1.56 0.02 0.00 0.00 177.57 179.13 3k92 h GLN 364 N 1.14 0.83 -0.21 1.57 4.20 -0.60 -1.50 115.11 120.54 3k92 h GLN 364 Ca 0.42 -0.29 0.01 0.00 0.06 0.00 0.00 58.65 58.86 3k92 h GLN 364 Cb 0.17 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 3k92 h GLN 364 CO -0.17 0.91 0.09 -0.91 -0.67 0.00 0.00 178.83 178.08 3k92 h ASN 365 N 0.74 0.13 -0.91 1.46 2.35 -0.33 0.31 115.58 119.33 3k92 h ASN 365 Ca 0.12 0.01 0.09 0.00 -0.55 0.00 0.00 56.30 55.98 3k92 h ASN 365 Cb 0.62 -0.01 -0.07 0.00 0.05 0.00 0.00 38.32 38.91 3k92 h ASN 365 CO 0.04 0.11 0.55 0.78 -1.65 0.00 0.00 177.43 177.26 3k92 h ASN 366 N 0.21 0.83 0.85 5.81 2.35 -0.45 -1.99 115.58 123.19 3k92 h ASN 366 Ca 0.09 0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.75 3k92 h ASN 366 Cb 0.03 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 3k92 h ASN 366 CO -0.07 0.48 -0.61 1.56 -1.65 0.00 0.00 177.43 177.15 3k92 h GLN 367 N 0.94 0.00 -3.09 0.81 4.20 -1.13 -3.48 115.11 113.36 3k92 h GLN 367 Ca 0.43 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.77 3k92 h GLN 367 Cb 0.34 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.12 3k92 h GLN 367 CO -0.23 0.61 -0.50 0.41 -0.67 0.00 0.00 178.83 178.45 3k92 n GLY 368 N 0.56 -0.39 2.78 3.46 0.00 0.98 -5.02 105.19 107.56 3k92 n GLY 368 Ca -0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 3k92 n GLY 368 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3k92 s TYR 369 N -2.98 0.10 -0.11 1.61 5.04 -0.60 -5.02 117.35 115.37 3k92 s TYR 369 Ca 0.09 0.10 0.00 0.00 -2.44 0.00 0.00 57.07 54.82 3k92 s TYR 369 Cb -0.04 -0.28 -0.02 0.00 0.35 0.00 0.00 41.96 41.97 3k92 s TYR 369 CO 0.11 -0.10 -0.11 0.71 -1.34 0.00 0.00 175.55 174.82 3k92 s TYR 370 N 1.05 2.84 0.15 4.97 1.51 -1.26 -4.45 117.35 122.17 3k92 s TYR 370 Ca -0.09 -0.44 -0.06 0.00 -1.01 0.00 0.00 57.07 55.46 3k92 s TYR 370 Cb -0.13 -1.81 -0.06 0.00 -0.11 0.00 0.00 41.96 39.85 3k92 s TYR 370 CO -0.03 -0.07 0.41 -1.58 -1.11 0.00 0.00 175.55 173.18 3k92 s TRP 371 N 0.06 3.47 0.66 2.71 0.51 -1.26 -5.07 118.94 120.02 3k92 s TRP 371 Ca -0.04 0.65 -0.16 0.00 -2.12 0.00 0.00 56.10 54.42 3k92 s TRP 371 Cb -0.14 -2.07 0.00 0.00 -0.81 0.00 0.00 33.47 30.44 3k92 s TRP 371 CO 0.04 0.41 1.17 -1.54 -0.51 0.00 0.00 176.95 176.52 3k92 s SER 372 N -2.35 4.84 0.32 2.95 1.04 -1.26 -4.44 113.70 114.80 3k92 s SER 372 Ca 0.41 2.25 0.09 0.00 0.48 0.00 0.00 55.95 59.18 3k92 s SER 372 Cb -0.12 -2.58 0.85 0.00 0.10 0.00 0.00 66.02 64.27 3k92 s SER 372 CO 0.23 -1.83 1.75 -0.08 0.98 0.00 0.00 173.24 174.30 3k92 h GLU 373 N 0.22 0.61 -0.15 4.02 4.81 -1.98 -1.31 114.58 120.81 3k92 h GLU 373 Ca -0.48 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 3k92 h GLU 373 Cb 1.28 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 3k92 h GLU 373 CO 0.53 0.41 0.05 1.49 -0.73 0.00 0.00 179.01 180.75 3k92 h GLU 374 N 0.63 0.23 -0.71 1.92 4.81 -1.99 0.42 114.58 119.90 3k92 h GLU 374 Ca 0.62 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.87 3k92 h GLU 374 Cb 1.13 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.42 3k92 h GLU 374 CO -0.43 0.35 0.39 0.93 -0.73 0.00 0.00 179.01 179.53 3k92 h GLU 375 N 0.07 0.69 -0.54 1.92 5.08 -1.71 -1.52 114.58 118.56 3k92 h GLU 375 Ca 0.05 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3k92 h GLU 375 Cb 0.21 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3k92 h GLU 375 CO -0.00 0.45 0.33 0.28 -1.00 0.00 0.00 179.01 179.07 3k92 h VAL 376 N 0.71 1.16 0.01 3.13 2.07 -1.00 -1.18 116.25 121.14 3k92 h VAL 376 Ca 0.33 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 3k92 h VAL 376 Cb 0.24 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3k92 h VAL 376 CO -0.21 0.16 -0.01 0.00 0.02 0.00 0.00 177.57 177.54 3k92 h ALA 377 N 1.17 -0.02 -0.37 1.67 0.00 -0.51 0.11 119.26 121.31 3k92 h ALA 377 Ca 0.19 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.11 3k92 h ALA 377 Cb -0.03 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.69 3k92 h ALA 377 CO -0.04 -0.45 -0.15 1.49 0.00 0.00 0.00 179.25 180.10 3k92 h GLU 378 N -0.15 -0.08 -0.13 0.00 4.81 -1.12 -1.44 114.58 116.47 3k92 h GLU 378 Ca -0.00 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 3k92 h GLU 378 Cb 0.14 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3k92 h GLU 378 CO 0.00 -0.05 -0.39 0.87 -0.73 0.00 0.00 179.01 178.71 3k92 h LYS 379 N -0.08 0.27 -0.19 1.92 1.57 -0.86 -2.00 116.57 117.21 3k92 h LYS 379 Ca 0.18 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3k92 h LYS 379 Cb 0.36 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3k92 h LYS 379 CO -0.43 0.63 -0.01 1.25 -0.57 0.00 0.00 179.45 180.32 3k92 h LEU 380 N 0.23 0.33 0.10 2.94 6.46 -0.49 -2.35 115.31 122.54 3k92 h LEU 380 Ca 0.02 -0.33 0.02 0.00 -0.12 0.00 0.00 57.88 57.48 3k92 h LEU 380 Cb 0.79 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.59 3k92 h LEU 380 CO 0.06 0.58 -0.35 -0.09 -0.62 0.00 0.00 178.44 178.02 3k92 h ARG 381 N 0.08 -0.54 -1.00 1.25 2.43 -1.20 -1.53 114.38 113.87 3k92 h ARG 381 Ca 0.05 0.04 0.19 0.00 -0.81 0.00 0.00 59.98 59.45 3k92 h ARG 381 Cb 0.42 0.12 -0.10 0.00 -0.42 0.00 0.00 29.97 29.99 3k92 h ARG 381 CO 0.01 -0.36 0.61 1.03 -1.51 0.00 0.00 179.97 179.75 3k92 h SER 382 N -0.56 0.77 0.17 -3.80 0.87 -1.30 0.05 113.55 109.74 3k92 h SER 382 Ca 0.03 0.09 -0.25 0.00 -1.23 0.00 0.00 61.79 60.44 3k92 h SER 382 Cb 0.60 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 62.53 3k92 h SER 382 CO -0.22 0.28 -1.02 0.58 -0.53 0.00 0.00 176.83 175.92 3k92 h VAL 383 N 0.75 1.34 -0.22 2.23 2.07 -1.01 -1.97 116.25 119.43 3k92 h VAL 383 Ca 0.57 -2.36 -0.14 0.00 0.82 0.00 0.00 66.70 65.59 3k92 h VAL 383 Cb 0.91 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 3k92 h VAL 383 CO -0.37 0.72 -0.40 0.24 0.02 0.00 0.00 177.57 177.78 3k92 h MET 384 N 0.31 0.66 -0.27 1.57 2.07 -0.34 0.00 114.93 118.92 3k92 h MET 384 Ca -0.11 -0.41 0.06 0.00 -2.07 0.00 0.00 59.70 57.17 3k92 h MET 384 Cb 1.67 0.05 -0.06 0.00 -1.87 0.00 0.00 31.60 31.38 3k92 h MET 384 CO 0.19 1.03 -0.14 0.28 1.07 0.00 0.00 176.91 179.34 3k92 h VAL 385 N 0.36 0.57 -0.81 -2.22 2.07 -1.07 -0.41 116.25 114.74 3k92 h VAL 385 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 3k92 h VAL 385 Cb 0.99 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 3k92 h VAL 385 CO 0.09 0.00 0.52 -1.28 0.02 0.00 0.00 177.57 176.92 3k92 h SER 386 N -0.11 0.94 0.46 0.57 0.87 -1.06 -2.40 113.55 112.82 3k92 h SER 386 Ca 0.14 -0.04 -0.16 0.00 -1.23 0.00 0.00 61.79 60.51 3k92 h SER 386 Cb 0.33 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3k92 h SER 386 CO -0.34 0.70 -0.68 0.28 -0.53 0.00 0.00 176.83 176.26 3k92 h SER 387 N 1.10 0.23 0.73 6.23 0.02 -0.52 -2.09 113.55 119.24 3k92 h SER 387 Ca 0.29 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 3k92 h SER 387 Cb -0.10 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.38 3k92 h SER 387 CO -0.06 0.84 -0.36 0.15 -1.14 0.00 0.00 176.83 176.25 3k92 h PHE 388 N 0.13 -0.94 -0.91 3.45 3.57 -0.61 -2.03 116.94 119.60 3k92 h PHE 388 Ca -0.02 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.57 3k92 h PHE 388 Cb 1.21 0.31 -0.12 0.00 2.79 0.00 0.00 35.95 40.14 3k92 h PHE 388 CO 0.02 -0.57 -0.53 0.93 -2.23 0.00 0.00 178.31 175.93 3k92 h GLU 389 N -0.99 -0.05 -0.39 1.11 4.39 -1.47 0.27 114.58 117.45 3k92 h GLU 389 Ca -0.10 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.68 3k92 h GLU 389 Cb 0.76 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.35 3k92 h GLU 389 CO 0.16 -0.04 -0.11 1.15 -1.16 0.00 0.00 179.01 179.01 3k92 h THR 390 N -0.05 0.58 -0.25 1.13 2.02 -1.31 0.43 112.91 115.45 3k92 h THR 390 Ca 0.20 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.25 3k92 h THR 390 Cb 0.48 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3k92 h THR 390 CO -0.90 0.00 -0.38 0.40 0.37 0.00 0.00 175.52 175.01 3k92 h ILE 391 N -0.01 1.29 0.10 3.11 2.04 -0.96 -2.12 117.51 120.95 3k92 h ILE 391 Ca 0.19 -1.53 -0.00 0.00 1.00 0.00 0.00 64.86 64.52 3k92 h ILE 391 Cb 0.30 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 3k92 h ILE 391 CO -0.41 0.48 -0.05 0.22 0.00 0.00 0.00 178.15 178.39 3k92 h TYR 392 N 0.48 -0.12 -0.88 1.37 3.20 0.97 -1.60 116.97 120.39 3k92 h TYR 392 Ca 0.05 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.99 3k92 h TYR 392 Cb 0.87 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 39.12 3k92 h TYR 392 CO 0.04 -0.03 0.57 1.96 -1.64 0.00 0.00 178.16 179.06 3k92 h GLN 393 N -0.18 0.91 -0.22 1.82 7.50 -0.14 -1.94 115.11 122.86 3k92 h GLN 393 Ca -0.01 -0.05 -0.15 0.00 0.50 0.00 0.00 58.65 58.93 3k92 h GLN 393 Cb 0.15 -0.20 -0.01 0.00 0.05 0.00 0.00 27.48 27.47 3k92 h GLN 393 CO 0.02 0.60 -0.50 1.15 -1.50 0.00 0.00 178.83 178.60 3k92 h THR 394 N 0.93 1.31 0.71 -0.54 2.02 -1.14 0.18 112.91 116.38 3k92 h THR 394 Ca 0.40 -1.71 -0.03 0.00 0.77 0.00 0.00 66.41 65.83 3k92 h THR 394 Cb 0.31 1.67 0.01 0.00 -1.74 0.00 0.00 68.15 68.40 3k92 h THR 394 CO -0.16 0.54 -0.35 0.00 0.37 0.00 0.00 175.52 175.92 3k92 h ALA 395 N 0.97 -0.97 -0.57 6.16 0.00 -0.77 -1.80 119.26 122.28 3k92 h ALA 395 Ca 0.02 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.82 3k92 h ALA 395 Cb 1.04 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 19.14 3k92 h ALA 395 CO 0.10 -1.05 0.16 0.00 0.00 0.00 0.00 179.25 178.46 3k92 h ALA 396 N -0.67 0.70 0.01 0.00 0.00 -1.22 0.21 119.26 118.28 3k92 h ALA 396 Ca -0.10 0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 3k92 h ALA 396 Cb 0.75 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3k92 h ALA 396 CO 0.15 -0.26 -0.87 1.79 0.00 0.00 0.00 179.25 180.06 3k92 h THR 397 N 0.32 1.55 0.00 0.00 1.35 -0.61 -3.27 112.91 112.24 3k92 h THR 397 Ca 0.29 -2.76 0.00 0.00 -0.55 0.00 0.00 66.41 63.39 3k92 h THR 397 Cb 0.39 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 3k92 h THR 397 CO -0.33 0.80 -0.76 1.41 -0.25 0.00 0.00 175.52 176.39 3k92 n HIS 398 N -3.60 0.18 -2.60 4.73 8.25 -0.68 -4.98 115.22 116.51 3k92 n HIS 398 Ca -0.02 0.05 -0.09 0.00 -0.26 0.00 0.00 57.72 57.40 3k92 n HIS 398 Cb 0.81 -0.35 0.04 0.00 1.12 0.00 0.00 29.99 31.61 3k92 n HIS 398 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3k92 n LYS 399 N -1.76 -1.41 -4.03 -0.41 5.02 0.68 -5.05 118.16 111.21 3k92 n LYS 399 Ca 0.04 0.56 -0.09 0.00 -2.02 0.00 0.00 58.31 56.80 3k92 n LYS 399 Cb 0.39 -4.24 -0.09 0.00 -0.02 0.00 0.00 35.03 31.07 3k92 n LYS 399 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3k92 s VAL 400 N -3.24 0.14 0.92 -0.18 -7.23 -0.87 -5.06 120.40 104.88 3k92 s VAL 400 Ca 0.28 -1.61 -0.11 0.00 -1.81 0.00 0.00 61.98 58.73 3k92 s VAL 400 Cb -0.04 -1.69 0.14 0.00 0.56 0.00 0.00 36.38 35.36 3k92 s VAL 400 CO 0.47 -0.63 1.09 1.51 -0.31 0.00 0.00 175.10 177.23 3k92 s ASP 401 N -2.95 3.17 0.47 4.85 -4.77 -1.26 -4.45 116.67 111.73 3k92 s ASP 401 Ca 0.13 1.60 0.13 0.00 -3.30 0.00 0.00 52.55 51.11 3k92 s ASP 401 Cb 0.06 -2.26 1.11 0.00 -1.09 0.00 0.00 42.92 40.74 3k92 s ASP 401 CO -0.05 -2.84 2.09 0.24 0.70 0.00 0.00 175.17 175.31 3k92 h MET 402 N -1.69 0.23 0.05 2.11 2.86 -1.92 -1.66 114.93 114.92 3k92 h MET 402 Ca -0.50 -0.01 -0.20 0.00 -2.06 0.00 0.00 59.70 56.92 3k92 h MET 402 Cb 1.28 -0.05 0.02 0.00 0.06 0.00 0.00 31.60 32.91 3k92 h MET 402 CO 0.52 0.15 -0.83 -0.09 1.06 0.00 0.00 176.91 177.72 3k92 h ARG 403 N 0.24 0.47 -0.16 1.72 2.43 -1.93 -1.29 114.38 115.86 3k92 h ARG 403 Ca 0.09 -0.58 -0.08 0.00 -0.81 0.00 0.00 59.98 58.60 3k92 h ARG 403 Cb 0.08 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3k92 h ARG 403 CO -0.02 1.22 -0.27 1.25 -1.51 0.00 0.00 179.97 180.64 3k92 h LEU 404 N -0.02 0.29 -0.40 3.80 6.46 -1.90 -2.06 115.31 121.49 3k92 h LEU 404 Ca -0.12 -0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.52 3k92 h LEU 404 Cb 1.55 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 41.39 3k92 h LEU 404 CO 0.16 0.57 0.14 0.00 -0.62 0.00 0.00 178.44 178.69 3k92 h ALA 405 N 1.46 0.52 -0.98 1.25 0.00 -1.26 -0.35 119.26 119.89 3k92 h ALA 405 Ca 0.04 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3k92 h ALA 405 Cb 0.62 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 3k92 h ALA 405 CO 0.04 0.15 0.64 0.00 0.00 0.00 0.00 179.25 180.08 3k92 h ALA 406 N 0.99 1.38 -0.24 0.00 0.00 -0.92 0.70 119.26 121.16 3k92 h ALA 406 Ca 0.13 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 3k92 h ALA 406 Cb 0.22 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3k92 h ALA 406 CO -0.01 0.52 -0.60 1.88 0.00 0.00 0.00 179.25 181.04 3k92 h TYR 407 N 1.22 0.99 -0.05 0.00 0.99 -1.16 -0.84 116.97 118.12 3k92 h TYR 407 Ca 0.40 -0.37 -0.00 0.00 2.00 0.00 0.00 58.73 60.75 3k92 h TYR 407 Cb 0.04 -0.18 -0.00 0.00 1.00 0.00 0.00 36.73 37.59 3k92 h TYR 407 CO -0.00 1.18 0.02 0.52 -0.00 0.00 0.00 178.16 179.88 3k92 h MET 408 N 0.59 0.08 0.00 4.88 2.86 -0.55 -2.33 114.93 120.45 3k92 h MET 408 Ca -0.00 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 3k92 h MET 408 Cb 1.19 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.84 3k92 h MET 408 CO 0.13 0.26 -0.10 0.00 1.06 0.00 0.00 176.91 178.25 3k92 h THR 409 N -0.11 0.38 -0.44 2.22 1.03 -0.87 -1.77 112.91 113.34 3k92 h THR 409 Ca 0.02 -0.56 -0.12 0.00 -0.01 0.00 0.00 66.41 65.73 3k92 h THR 409 Cb 0.21 1.41 -0.01 0.00 -1.07 0.00 0.00 68.15 68.69 3k92 h THR 409 CO -0.00 0.10 -0.19 1.23 -0.01 0.00 0.00 175.52 176.64 3k92 h GLY 410 N 1.19 0.98 0.42 2.99 0.00 -0.61 -3.28 103.07 104.77 3k92 h GLY 410 Ca -0.00 -0.87 0.00 0.00 0.00 0.00 0.00 47.33 46.46 3k92 h GLY 410 CO 0.01 0.79 -1.36 0.29 0.00 0.00 0.00 176.54 176.28 3k92 n ILE 411 N -4.19 0.19 -0.15 2.60 -6.64 -1.03 -3.77 119.36 106.38 3k92 n ILE 411 Ca -0.01 -0.38 -0.06 0.00 -1.77 0.00 0.00 62.75 60.54 3k92 n ILE 411 Cb 0.44 0.08 0.01 0.00 -1.44 0.00 0.00 39.64 38.73 3k92 n ILE 411 CO 0.00 0.00 0.00 -0.09 -1.77 0.00 0.00 176.55 174.69 3k92 h ARG 412 N 0.00 -0.17 -0.37 6.28 2.43 -1.38 -0.75 114.38 120.42 3k92 h ARG 412 Ca 0.00 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3k92 h ARG 412 Cb 0.86 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 3k92 h ARG 412 CO 0.00 -0.11 0.23 0.87 -1.51 0.00 0.00 179.97 179.45 3k92 h LYS 413 N -0.17 0.50 -0.87 0.20 1.79 -1.80 0.34 116.57 116.56 3k92 h LYS 413 Ca 0.21 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.62 3k92 h LYS 413 Cb 0.51 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.01 3k92 h LYS 413 CO -0.57 0.37 0.47 0.77 -1.08 0.00 0.00 179.45 179.42 3k92 h SER 414 N 0.49 1.09 -0.02 0.86 0.02 -1.74 0.60 113.55 114.85 3k92 h SER 414 Ca 0.13 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3k92 h SER 414 Cb -0.01 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.26 3k92 h SER 414 CO -0.03 0.88 -0.01 0.00 -1.14 0.00 0.00 176.83 176.53 3k92 h ALA 415 N 1.29 0.03 -0.51 3.77 0.00 -0.27 0.12 119.26 123.68 3k92 h ALA 415 Ca 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3k92 h ALA 415 Cb 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3k92 h ALA 415 CO -0.05 -0.24 0.27 0.93 0.00 0.00 0.00 179.25 180.16 3k92 h GLU 416 N -0.37 0.72 -0.66 0.00 5.08 -0.02 -2.32 114.58 117.02 3k92 h GLU 416 Ca 0.00 -0.09 0.07 0.00 -1.00 0.00 0.00 59.36 58.34 3k92 h GLU 416 Cb 0.44 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 3k92 h GLU 416 CO 0.00 0.58 0.35 0.00 -1.00 0.00 0.00 179.01 178.94 3k92 h ALA 417 N 1.11 0.88 -0.46 3.43 0.00 -0.79 -0.96 119.26 122.47 3k92 h ALA 417 Ca 0.18 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 3k92 h ALA 417 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3k92 h ALA 417 CO -0.03 -0.00 -0.15 0.77 0.00 0.00 0.00 179.25 179.84 3k92 h SER 418 N 0.63 0.88 0.17 0.00 0.02 -0.39 -1.01 113.55 113.85 3k92 h SER 418 Ca 0.30 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3k92 h SER 418 Cb 0.23 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3k92 h SER 418 CO -0.21 1.03 -0.08 0.03 -1.14 0.00 0.00 176.83 176.46 3k92 h ARG 419 N 0.78 -0.22 -0.31 3.45 2.47 -1.13 -1.22 114.38 118.20 3k92 h ARG 419 Ca 0.12 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.84 3k92 h ARG 419 Cb 0.68 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 29.03 3k92 h ARG 419 CO 0.05 -0.12 0.12 0.74 0.56 0.00 0.00 179.97 181.32 3k92 h PHE 420 N -0.25 0.43 0.00 3.04 0.04 -0.96 -1.90 116.94 117.34 3k92 h PHE 420 Ca -0.02 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3k92 h PHE 420 Cb 0.20 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.21 3k92 h PHE 420 CO -0.06 0.34 0.00 0.54 -0.60 0.00 0.00 178.31 178.54 3k92 n ARG 421 N -4.41 0.21 -1.11 1.51 1.74 -0.40 -4.90 116.66 109.30 3k92 n ARG 421 Ca 0.02 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3k92 n ARG 421 Cb 0.13 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 3k92 n ARG 421 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k92 n GLY 422 N 1.22 0.81 0.11 -0.13 0.00 -0.71 -4.99 105.19 101.50 3k92 n GLY 422 Ca 0.10 -0.64 -0.17 0.00 0.00 0.00 0.00 46.02 45.32 3k92 n GLY 422 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3k92 h TRP 423 N 0.00 0.45 0.00 1.61 6.55 -1.43 -3.50 115.95 119.64 3k92 h TRP 423 Ca 0.00 -0.33 0.00 0.00 0.95 0.00 0.00 58.89 59.51 3k92 h TRP 423 Cb 0.44 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.73 3k92 h TRP 423 CO 0.00 1.38 0.00 1.33 -1.05 0.00 0.00 178.44 180.10