#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ikt n MET 1 N 0.00 0.00 -3.80 1.61 0.00 -1.26 -4.09 117.12 109.59 3ikt n MET 1 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.38 3ikt n MET 1 Cb 0.00 -0.66 -0.10 0.00 0.00 0.00 0.00 33.22 32.46 3ikt n MET 1 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 3ikt s LYS 2 N -0.01 2.73 -0.02 0.03 2.20 -1.26 -5.05 119.74 118.36 3ikt s LYS 2 Ca 0.00 -3.21 -0.30 0.00 -0.36 0.00 0.00 55.97 52.10 3ikt s LYS 2 Cb 0.00 -3.63 -0.08 0.00 -1.51 0.00 0.00 37.83 32.60 3ikt s LYS 2 CO 0.00 -1.26 2.02 0.28 -0.36 0.00 0.00 175.35 176.04 3ikt n VAL 3 N 2.30 0.68 -2.08 4.02 0.31 -1.26 -4.94 118.33 117.35 3ikt n VAL 3 Ca 0.18 -0.20 -0.39 0.00 -0.01 0.00 0.00 64.34 63.92 3ikt n VAL 3 Cb 0.36 -2.33 -0.00 0.00 -0.91 0.00 0.00 33.84 30.95 3ikt n VAL 3 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3ikt s PRO 4 N 4.83 3.85 0.48 5.55 0.02 -1.26 -4.88 135.00 143.59 3ikt s PRO 4 Ca 0.92 2.07 0.18 0.00 0.02 0.00 0.00 61.00 64.19 3ikt s PRO 4 Cb -0.44 -2.64 1.19 0.00 0.02 0.00 0.00 34.50 32.64 3ikt s PRO 4 CO 0.42 -0.56 2.05 1.05 -0.33 0.00 0.00 177.00 179.62 3ikt h GLU 5 N 2.43 0.00 0.00 5.54 4.11 -2.02 -0.76 114.58 123.88 3ikt h GLU 5 Ca -0.50 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.92 3ikt h GLU 5 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 3ikt h GLU 5 CO 0.62 0.13 -0.09 0.00 0.07 0.00 0.00 179.01 179.74 3ikt h ALA 6 N 1.87 1.35 -0.19 1.06 0.00 -2.01 -2.09 119.26 119.25 3ikt h ALA 6 Ca -0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 3ikt h ALA 6 Cb 0.25 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ikt h ALA 6 CO 0.02 0.11 -0.59 0.00 0.00 0.00 0.00 179.25 178.79 3ikt h ALA 7 N 1.91 0.61 -0.59 0.00 0.00 -1.49 -2.93 119.26 116.77 3ikt h ALA 7 Ca -0.00 -0.53 0.01 0.00 0.00 0.00 0.00 54.91 54.38 3ikt h ALA 7 Cb 0.25 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3ikt h ALA 7 CO 0.01 0.70 0.39 0.82 0.00 0.00 0.00 179.25 181.17 3ikt h ILE 8 N 0.46 1.15 -1.01 0.00 1.08 -1.41 0.91 117.51 118.69 3ikt h ILE 8 Ca -0.00 -0.27 0.03 0.00 -0.39 0.00 0.00 64.86 64.22 3ikt h ILE 8 Cb 1.15 0.28 -0.06 0.00 -3.07 0.00 0.00 36.82 35.13 3ikt h ILE 8 CO 0.11 0.15 0.66 0.28 -0.69 0.00 0.00 178.15 178.66 3ikt h SER 9 N 0.80 1.12 0.20 1.72 0.02 -1.50 -1.24 113.55 114.68 3ikt h SER 9 Ca 0.22 -0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.99 3ikt h SER 9 Cb -0.09 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.18 3ikt h SER 9 CO -0.05 0.79 -0.60 0.03 -1.14 0.00 0.00 176.83 175.86 3ikt h ARG 10 N 1.31 0.39 -0.68 3.45 3.08 -1.17 -2.63 114.38 118.13 3ikt h ARG 10 Ca 0.39 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 3ikt h ARG 10 Cb -0.06 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3ikt h ARG 10 CO -0.11 0.87 0.40 -0.07 -1.07 0.00 0.00 179.97 180.00 3ikt h LEU 11 N 0.30 0.83 -0.77 3.04 3.38 -0.12 0.20 115.31 122.17 3ikt h LEU 11 Ca -0.00 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 57.96 3ikt h LEU 11 Cb 1.12 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.61 3ikt h LEU 11 CO 0.10 0.66 0.46 0.40 0.09 0.00 0.00 178.44 180.15 3ikt h ILE 12 N 0.93 1.00 -0.47 1.22 2.04 -1.10 -0.89 117.51 120.24 3ikt h ILE 12 Ca 0.24 -0.28 -0.11 0.00 1.00 0.00 0.00 64.86 65.71 3ikt h ILE 12 Cb -0.01 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.15 3ikt h ILE 12 CO -0.04 0.15 -0.15 0.74 0.00 0.00 0.00 178.15 178.85 3ikt h THR 13 N 0.83 1.27 -0.75 -0.27 2.02 -0.90 -2.62 112.91 112.48 3ikt h THR 13 Ca 0.34 -1.29 0.01 0.00 0.77 0.00 0.00 66.41 66.25 3ikt h THR 13 Cb 0.19 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 3ikt h THR 13 CO -0.18 0.44 0.49 1.88 0.37 0.00 0.00 175.52 178.52 3ikt h TYR 14 N 0.77 0.93 -0.25 3.16 0.05 0.09 -1.34 116.97 120.37 3ikt h TYR 14 Ca 0.11 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.92 3ikt h TYR 14 Cb 0.71 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 38.12 3ikt h TYR 14 CO 0.05 0.57 0.15 1.25 -1.05 0.00 0.00 178.16 179.13 3ikt h LEU 15 N 0.99 0.25 -0.97 3.88 5.85 -1.06 -0.04 115.31 124.21 3ikt h LEU 15 Ca 0.28 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 59.02 3ikt h LEU 15 Cb -0.08 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 3ikt h LEU 15 CO -0.08 0.19 0.64 0.03 -0.34 0.00 0.00 178.44 178.88 3ikt h ARG 16 N 0.31 1.25 -0.66 1.25 3.08 -1.13 0.27 114.38 118.76 3ikt h ARG 16 Ca 0.10 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 3ikt h ARG 16 Cb -0.01 -0.28 -0.03 0.00 0.08 0.00 0.00 29.97 29.73 3ikt h ARG 16 CO -0.04 0.83 0.17 0.82 -1.07 0.00 0.00 179.97 180.68 3ikt h ILE 17 N 1.29 1.25 -0.52 2.04 2.04 -0.66 -2.02 117.51 120.93 3ikt h ILE 17 Ca 0.37 -0.91 -0.10 0.00 1.00 0.00 0.00 64.86 65.22 3ikt h ILE 17 Cb -0.10 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3ikt h ILE 17 CO -0.09 0.35 -0.07 -0.07 0.00 0.00 0.00 178.15 178.27 3ikt h LEU 18 N 0.98 0.96 -0.35 1.44 3.38 -0.17 -0.34 115.31 121.22 3ikt h LEU 18 Ca 0.21 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.88 3ikt h LEU 18 Cb 0.33 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3ikt h LEU 18 CO -0.00 1.07 0.11 -0.33 0.09 0.00 0.00 178.44 179.38 3ikt h GLU 19 N 0.83 0.25 0.26 1.13 4.39 -0.64 0.15 114.58 120.95 3ikt h GLU 19 Ca 0.14 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 3ikt h GLU 19 Cb 0.62 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 3ikt h GLU 19 CO 0.04 0.16 -0.20 1.49 -1.16 0.00 0.00 179.01 179.35 3ikt h GLU 20 N 0.26 -0.44 -0.28 2.33 4.57 -1.13 -0.26 114.58 119.63 3ikt h GLU 20 Ca 0.16 0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.43 3ikt h GLU 20 Cb 0.14 0.10 -0.07 0.00 -0.16 0.00 0.00 28.75 28.76 3ikt h GLU 20 CO -0.17 -0.29 -0.15 -0.07 -1.18 0.00 0.00 179.01 177.15 3ikt h LEU 21 N -0.46 -0.50 -0.76 1.64 3.38 -0.60 0.90 115.31 118.92 3ikt h LEU 21 Ca -0.02 0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.16 3ikt h LEU 21 Cb 0.40 0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 3ikt h LEU 21 CO -0.01 -0.19 0.41 -0.08 0.09 0.00 0.00 178.44 178.66 3ikt h GLU 22 N -0.12 0.67 -0.73 1.13 4.81 -0.51 0.79 114.58 120.62 3ikt h GLU 22 Ca 0.15 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3ikt h GLU 22 Cb 0.34 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 3ikt h GLU 22 CO -0.35 0.44 0.48 0.00 -0.73 0.00 0.00 179.01 178.85 3ikt h ALA 23 N 1.44 1.47 0.00 2.92 0.00 0.62 0.02 119.26 125.72 3ikt h ALA 23 Ca 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3ikt h ALA 23 Cb 0.36 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ikt h ALA 23 CO -0.25 0.49 0.00 1.04 0.00 0.00 0.00 179.25 180.53 3ikt n GLN 24 N -4.42 0.02 -0.27 0.00 6.02 0.18 -4.87 117.38 114.04 3ikt n GLN 24 Ca 0.08 0.17 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 3ikt n GLN 24 Cb 0.03 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 29.76 3ikt n GLN 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ikt n GLY 25 N 0.59 0.78 3.77 1.08 0.00 -0.01 -5.06 105.19 106.35 3ikt n GLY 25 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 3ikt n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ikt s VAL 26 N -2.19 3.51 -0.01 1.61 1.01 -0.64 -4.96 120.40 118.73 3ikt s VAL 26 Ca 0.00 1.34 0.01 0.00 0.00 0.00 0.00 61.98 63.32 3ikt s VAL 26 Cb 0.00 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 3ikt s VAL 26 CO 0.00 0.19 0.00 1.57 0.00 0.00 0.00 175.10 176.86 3ikt n HIS 27 N 0.55 0.00 -5.07 5.22 -0.00 -1.26 -4.25 115.22 110.40 3ikt n HIS 27 Ca 0.02 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 57.88 3ikt n HIS 27 Cb 0.47 -0.03 -0.15 0.00 -0.12 0.00 0.00 29.99 30.17 3ikt n HIS 27 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 3ikt s ARG 28 N -2.02 2.45 0.23 1.57 1.81 -1.26 -0.95 118.95 120.78 3ikt s ARG 28 Ca -0.00 -0.80 0.01 0.00 -1.72 0.00 0.00 55.73 53.21 3ikt s ARG 28 Cb 0.00 -2.26 -0.04 0.00 -0.45 0.00 0.00 34.95 32.20 3ikt s ARG 28 CO 0.02 0.54 0.15 -0.08 -0.68 0.00 0.00 175.30 175.25 3ikt s THR 29 N -0.53 0.08 0.07 0.02 -1.32 0.33 -4.85 115.64 109.44 3ikt s THR 29 Ca 0.07 -2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 58.55 3ikt s THR 29 Cb -0.11 -2.51 -0.04 0.00 -1.51 0.00 0.00 72.50 68.32 3ikt s THR 29 CO 0.01 0.00 -0.03 -0.94 -2.21 0.00 0.00 174.62 171.45 3ikt s SER 30 N -3.22 0.57 0.60 8.08 1.04 -1.26 0.97 113.70 120.48 3ikt s SER 30 Ca 0.39 -1.03 0.34 0.00 0.48 0.00 0.00 55.95 56.14 3ikt s SER 30 Cb 0.06 0.19 1.96 0.00 0.10 0.00 0.00 66.02 68.33 3ikt s SER 30 CO 0.15 -0.60 2.26 0.77 0.98 0.00 0.00 173.24 176.80 3ikt h SER 31 N 3.09 0.00 -0.05 7.02 4.64 -1.96 -0.83 113.55 125.46 3ikt h SER 31 Ca -0.34 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.92 3ikt h SER 31 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3ikt h SER 31 CO 0.65 0.02 -0.19 -0.08 -0.87 0.00 0.00 176.83 176.36 3ikt h GLU 32 N 0.00 0.22 -0.25 4.77 4.81 -1.95 -1.23 114.58 120.96 3ikt h GLU 32 Ca -0.00 -0.17 -0.15 0.00 -0.13 0.00 0.00 59.36 58.91 3ikt h GLU 32 Cb 0.07 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3ikt h GLU 32 CO 0.00 0.80 -0.46 0.37 -0.73 0.00 0.00 179.01 178.99 3ikt h GLN 33 N -0.31 0.65 -0.19 1.92 4.15 -1.82 -2.25 115.11 117.26 3ikt h GLN 33 Ca -0.01 -0.36 -0.02 0.00 0.77 0.00 0.00 58.65 59.04 3ikt h GLN 33 Cb 0.82 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.52 3ikt h GLN 33 CO 0.04 0.97 0.06 -0.07 -1.93 0.00 0.00 178.83 177.90 3ikt h LEU 34 N 0.52 0.28 -0.06 -2.39 4.07 -1.23 -2.38 115.31 114.11 3ikt h LEU 34 Ca 0.03 -0.20 0.02 0.00 0.08 0.00 0.00 57.88 57.81 3ikt h LEU 34 Cb 1.00 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.64 3ikt h LEU 34 CO 0.09 0.41 -0.09 1.23 -1.08 0.00 0.00 178.44 179.00 3ikt h GLY 35 N 0.14 -0.04 0.61 0.83 0.00 -1.13 -0.70 103.07 102.78 3ikt h GLY 35 Ca 0.06 0.10 0.07 0.00 0.00 0.00 0.00 47.33 47.56 3ikt h GLY 35 CO -0.00 -0.10 0.31 -2.09 0.00 0.00 0.00 176.54 174.66 3ikt h GLU 36 N -0.12 0.55 0.00 4.80 4.81 -1.36 0.79 114.58 124.05 3ikt h GLU 36 Ca 0.06 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3ikt h GLU 36 Cb 0.20 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3ikt h GLU 36 CO -0.14 0.37 -0.31 -0.07 -0.73 0.00 0.00 179.01 178.13 3ikt h LEU 37 N 0.57 0.00 -0.56 1.64 3.38 -1.03 -2.28 115.31 117.03 3ikt h LEU 37 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3ikt h LEU 37 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3ikt h LEU 37 CO -0.21 0.31 -0.49 0.00 0.09 0.00 0.00 178.44 178.14 3ikt n ALA 38 N -2.43 3.59 -3.25 1.53 0.00 -0.30 -4.97 120.51 114.68 3ikt n ALA 38 Ca -0.02 -0.52 -0.18 0.00 0.00 0.00 0.00 53.44 52.72 3ikt n ALA 38 Cb 0.37 -0.94 0.06 0.00 0.00 0.00 0.00 19.45 18.93 3ikt n ALA 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3ikt n GLN 39 N -0.64 -5.71 -4.42 0.00 6.02 0.26 -5.03 117.38 107.86 3ikt n GLN 39 Ca 0.09 0.64 -0.21 0.00 -0.01 0.00 0.00 57.00 57.51 3ikt n GLN 39 Cb 0.39 -5.09 -0.09 0.00 1.02 0.00 0.00 30.24 26.46 3ikt n GLN 39 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3ikt s VAL 40 N -3.21 0.70 0.54 5.09 -7.23 -0.21 -5.01 120.40 111.08 3ikt s VAL 40 Ca 0.41 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.49 3ikt s VAL 40 Cb -0.18 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 3ikt s VAL 40 CO 0.51 0.00 0.92 0.42 -0.31 0.00 0.00 175.10 176.64 3ikt s THR 41 N -3.42 4.78 0.50 5.32 -4.23 -1.26 -3.90 115.64 113.42 3ikt s THR 41 Ca 0.33 0.63 0.15 0.00 -1.18 0.00 0.00 61.69 61.62 3ikt s THR 41 Cb 0.06 -3.85 0.25 0.00 1.34 0.00 0.00 72.50 70.30 3ikt s THR 41 CO 0.15 -0.96 2.11 0.00 -0.54 0.00 0.00 174.62 175.39 3ikt h ALA 42 N 0.10 1.93 -0.62 3.99 0.00 -1.89 0.19 119.26 122.96 3ikt h ALA 42 Ca -0.46 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 3ikt h ALA 42 Cb 1.19 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 3ikt h ALA 42 CO 0.62 0.06 0.23 0.74 0.00 0.00 0.00 179.25 180.90 3ikt h PHE 43 N 0.03 0.95 0.14 0.00 0.04 -1.92 -2.58 116.94 113.60 3ikt h PHE 43 Ca 0.01 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 3ikt h PHE 43 Cb 0.06 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 37.93 3ikt h PHE 43 CO 0.00 0.76 -0.07 0.37 -0.60 0.00 0.00 178.31 178.78 3ikt h GLN 44 N 0.87 -0.18 0.14 1.51 5.75 -1.34 -1.79 115.11 120.07 3ikt h GLN 44 Ca 0.20 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.73 3ikt h GLN 44 Cb 0.23 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.78 3ikt h GLN 44 CO -0.01 -0.07 -0.32 0.28 -2.65 0.00 0.00 178.83 176.05 3ikt h VAL 45 N -0.24 0.32 -0.71 2.39 2.07 -1.37 -0.27 116.25 118.44 3ikt h VAL 45 Ca -0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 3ikt h VAL 45 Cb 0.19 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 3ikt h VAL 45 CO 0.03 0.00 0.47 0.03 0.02 0.00 0.00 177.57 178.12 3ikt h ARG 46 N -0.56 0.80 -0.33 1.57 3.08 -1.45 -1.48 114.38 116.02 3ikt h ARG 46 Ca 0.03 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 3ikt h ARG 46 Cb 0.58 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3ikt h ARG 46 CO -0.18 0.53 -0.30 -0.22 -1.07 0.00 0.00 179.97 178.73 3ikt h LYS 47 N 0.82 0.78 -0.61 0.04 1.63 -0.88 -1.30 116.57 117.06 3ikt h LYS 47 Ca 0.29 -0.40 -0.05 0.00 -0.85 0.00 0.00 60.65 59.64 3ikt h LYS 47 Cb 0.13 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.74 3ikt h LYS 47 CO -0.09 1.03 0.20 -0.44 -3.45 0.00 0.00 179.45 176.70 3ikt h ASP 48 N 0.55 0.88 -0.26 4.20 3.32 -0.48 -3.02 116.42 121.62 3ikt h ASP 48 Ca 0.05 -0.20 -0.06 0.00 0.02 0.00 0.00 57.03 56.85 3ikt h ASP 48 Cb 0.88 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 3ikt h ASP 48 CO 0.08 0.85 -0.06 -0.07 -1.72 0.00 0.00 179.24 178.32 3ikt h LEU 49 N 0.87 0.49 -2.02 1.55 3.38 -1.26 -2.98 115.31 115.34 3ikt h LEU 49 Ca 0.20 -0.36 0.11 0.00 0.09 0.00 0.00 57.88 57.91 3ikt h LEU 49 Cb 0.28 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3ikt h LEU 49 CO -0.01 0.74 0.39 0.77 0.09 0.00 0.00 178.44 180.43 3ikt h SER 50 N 0.24 0.00 -0.50 -0.43 4.64 -1.14 0.16 113.55 116.52 3ikt h SER 50 Ca 0.06 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.44 3ikt h SER 50 Cb 0.53 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.59 3ikt h SER 50 CO 0.02 0.00 0.33 1.88 -0.87 0.00 0.00 176.83 178.20 3ikt h TYR 51 N 0.00 0.45 0.00 4.77 0.99 -1.40 -3.10 116.97 118.68 3ikt h TYR 51 Ca 0.17 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.89 3ikt h TYR 51 Cb 0.96 -0.15 -0.00 0.00 1.00 0.00 0.00 36.73 38.54 3ikt h TYR 51 CO 0.00 0.25 -1.71 1.19 -0.00 0.00 0.00 178.16 177.88 3ikt n PHE 52 N -4.47 0.00 -3.50 4.88 3.01 0.48 -4.90 117.46 112.95 3ikt n PHE 52 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 3ikt n PHE 52 Cb 0.23 -0.37 0.00 0.00 -0.01 0.00 0.00 39.48 39.33 3ikt n PHE 52 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ikt n GLY 53 N 1.69 -1.49 3.06 1.37 0.00 -0.64 -5.06 105.19 104.12 3ikt n GLY 53 Ca -0.04 -1.18 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 3ikt n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ikt s SER 54 N -3.63 4.98 0.00 1.61 0.01 -1.26 -3.72 113.70 111.68 3ikt s SER 54 Ca 0.00 -2.55 0.23 0.00 1.31 0.00 0.00 55.95 54.94 3ikt s SER 54 Cb 0.00 -1.77 0.11 0.00 0.21 0.00 0.00 66.02 64.57 3ikt s SER 54 CO 0.00 -0.39 1.17 -1.22 0.41 0.00 0.00 173.24 173.21 3ikt n TYR 55 N 3.84 0.00 -1.93 2.43 4.02 -1.26 -4.98 117.16 119.27 3ikt n TYR 55 Ca 0.04 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.79 3ikt n TYR 55 Cb 0.38 0.00 0.09 0.00 -0.02 0.00 0.00 39.34 39.79 3ikt n TYR 55 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ikt n GLY 56 N 1.35 -0.37 1.83 2.72 0.00 -1.26 -4.76 105.19 104.70 3ikt n GLY 56 Ca 0.12 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.30 3ikt n GLY 56 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ikt n THR 57 N -2.58 0.16 0.00 2.61 -2.24 -1.26 -5.01 114.28 105.97 3ikt n THR 57 Ca 0.09 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 3ikt n THR 57 Cb 0.31 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 3ikt n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ikt n GLY 61 N 1.82 -1.77 3.13 3.38 0.00 -1.26 -5.13 105.19 105.36 3ikt n GLY 61 Ca 0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 3ikt n GLY 61 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ikt s TYR 62 N 0.00 1.09 -0.43 1.61 1.51 0.27 -4.96 117.35 116.45 3ikt s TYR 62 Ca 0.00 -0.40 -0.18 0.00 -1.01 0.00 0.00 57.07 55.47 3ikt s TYR 62 Cb 0.00 -0.64 0.02 0.00 -0.11 0.00 0.00 41.96 41.24 3ikt s TYR 62 CO 0.00 0.02 0.50 0.99 -1.11 0.00 0.00 175.55 175.95 3ikt s THR 63 N -1.06 5.01 0.13 -0.71 2.01 -1.26 0.12 115.64 119.89 3ikt s THR 63 Ca -0.02 -0.24 -0.19 0.00 0.31 0.00 0.00 61.69 61.55 3ikt s THR 63 Cb -0.09 -4.09 0.03 0.00 0.01 0.00 0.00 72.50 68.36 3ikt s THR 63 CO 0.01 -0.49 1.11 0.52 -0.69 0.00 0.00 174.62 175.09 3ikt n VAL 64 N 5.55 -0.45 -0.19 3.82 0.31 -0.12 0.23 118.33 127.48 3ikt n VAL 64 Ca -0.06 1.72 0.08 0.00 -0.01 0.00 0.00 64.34 66.07 3ikt n VAL 64 Cb 0.47 -2.18 0.37 0.00 -0.91 0.00 0.00 33.84 31.60 3ikt n VAL 64 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3ikt h PRO 65 N 0.00 0.68 -0.12 5.55 0.11 -1.89 -0.97 132.00 135.36 3ikt h PRO 65 Ca 0.16 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 66.01 3ikt h PRO 65 Cb 0.34 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.31 3ikt h PRO 65 CO -0.69 0.45 -0.80 0.28 -0.21 0.00 0.00 178.00 177.03 3ikt h VAL 66 N 0.71 1.28 -0.20 3.15 2.07 -0.60 -2.67 116.25 119.99 3ikt h VAL 66 Ca 0.33 -2.00 -0.09 0.00 0.82 0.00 0.00 66.70 65.76 3ikt h VAL 66 Cb 0.37 2.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3ikt h VAL 66 CO -0.12 0.63 -0.22 0.25 0.02 0.00 0.00 177.57 178.13 3ikt h LEU 67 N 0.48 0.54 -0.78 2.57 6.46 -1.07 -2.05 115.31 121.46 3ikt h LEU 67 Ca -0.06 -0.49 0.12 0.00 -0.12 0.00 0.00 57.88 57.33 3ikt h LEU 67 Cb 1.44 -0.15 -0.08 0.00 -0.73 0.00 0.00 40.66 41.13 3ikt h LEU 67 CO 0.16 0.92 0.38 0.50 -0.62 0.00 0.00 178.44 179.78 3ikt h LYS 68 N 0.17 0.57 -0.16 1.25 3.64 -1.25 0.12 116.57 120.90 3ikt h LYS 68 Ca 0.03 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3ikt h LYS 68 Cb 0.78 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 3ikt h LYS 68 CO 0.05 0.38 -0.01 -0.09 -2.27 0.00 0.00 179.45 177.51 3ikt h ARG 69 N 0.59 0.30 -0.51 1.90 2.43 -1.39 -2.30 114.38 115.40 3ikt h ARG 69 Ca 0.41 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 3ikt h ARG 69 Cb 0.52 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 3ikt h ARG 69 CO -0.33 0.53 0.22 0.93 -1.51 0.00 0.00 179.97 179.81 3ikt h GLU 70 N 0.03 0.73 -0.02 0.20 4.39 -0.60 -2.62 114.58 116.69 3ikt h GLU 70 Ca 0.05 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 3ikt h GLU 70 Cb 0.40 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 3ikt h GLU 70 CO 0.01 0.59 -0.11 -0.07 -1.16 0.00 0.00 179.01 178.27 3ikt h LEU 71 N 0.73 0.14 -0.99 1.33 3.38 -0.73 -1.12 115.31 118.06 3ikt h LEU 71 Ca 0.18 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3ikt h LEU 71 Cb 0.12 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3ikt h LEU 71 CO -0.02 0.78 0.00 -2.11 0.09 0.00 0.00 178.44 177.18 3ikt n ARG 72 N -4.65 0.16 -0.05 1.13 1.85 -0.87 -0.40 116.66 113.83 3ikt n ARG 72 Ca -0.09 0.52 -0.17 0.00 -1.00 0.00 0.00 57.85 57.11 3ikt n ARG 72 Cb 0.39 -1.89 -0.13 0.00 -1.05 0.00 0.00 32.46 29.78 3ikt n ARG 72 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 3ikt h HIS 73 N 0.00 0.12 -1.00 2.89 2.76 -1.35 0.88 115.15 119.45 3ikt h HIS 73 Ca 0.00 -0.09 0.03 0.00 -2.20 0.00 0.00 60.37 58.11 3ikt h HIS 73 Cb 0.19 -0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.09 3ikt h HIS 73 CO 0.00 1.20 0.66 0.82 -1.30 0.00 0.00 177.93 179.31 3ikt h ILE 74 N -0.84 1.18 0.00 6.26 2.04 -0.05 -1.68 117.51 124.42 3ikt h ILE 74 Ca -0.12 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.30 3ikt h ILE 74 Cb 1.23 -0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 3ikt h ILE 74 CO -0.02 0.23 0.00 0.18 0.00 0.00 0.00 178.15 178.55 3ikt n LEU 75 N -4.43 0.00 -0.15 1.44 4.77 0.47 -4.90 117.00 114.20 3ikt n LEU 75 Ca 0.13 0.11 -0.02 0.00 -0.03 0.00 0.00 56.01 56.21 3ikt n LEU 75 Cb 0.09 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 3ikt n LEU 75 CO 0.35 -0.00 -0.02 0.61 -1.33 0.00 0.00 177.39 177.00 3ikt n GLY 76 N 1.07 0.54 0.17 -0.72 0.00 -0.63 -4.91 105.19 100.70 3ikt n GLY 76 Ca 0.20 -0.75 0.07 0.00 0.00 0.00 0.00 46.02 45.54 3ikt n GLY 76 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ikt n LEU 77 N -0.22 0.51 -2.33 0.99 4.77 0.30 -3.95 117.00 117.08 3ikt n LEU 77 Ca -0.02 -0.22 -0.33 0.00 -0.03 0.00 0.00 56.01 55.41 3ikt n LEU 77 Cb 0.08 -0.04 0.07 0.00 -2.33 0.00 0.00 43.42 41.19 3ikt n LEU 77 CO 0.03 0.11 1.44 -0.46 -1.33 0.00 0.00 177.39 177.18 3ikt n ASN 78 N -0.39 7.50 -3.71 -1.43 6.94 -1.11 -4.69 115.26 118.38 3ikt n ASN 78 Ca 0.11 -3.68 -0.08 0.00 -0.02 0.00 0.00 54.58 50.92 3ikt n ASN 78 Cb 0.13 -1.01 -0.02 0.00 -2.36 0.00 0.00 39.78 36.52 3ikt n ASN 78 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ikt s ARG 79 N -3.53 1.48 -0.40 -3.83 1.70 -1.25 -5.09 118.95 108.03 3ikt s ARG 79 Ca 0.59 -0.75 -0.09 0.00 -0.47 0.00 0.00 55.73 55.01 3ikt s ARG 79 Cb 0.46 0.55 0.06 0.00 -0.57 0.00 0.00 34.95 35.45 3ikt s ARG 79 CO -0.05 -0.67 0.22 0.21 -1.08 0.00 0.00 175.30 173.93 3ikt s LYS 80 N -3.69 2.63 0.28 3.89 2.20 -1.26 -4.42 119.74 119.36 3ikt s LYS 80 Ca 0.08 -1.36 -0.28 0.00 -0.36 0.00 0.00 55.97 54.05 3ikt s LYS 80 Cb -0.04 -3.71 -0.09 0.00 -1.51 0.00 0.00 37.83 32.48 3ikt s LYS 80 CO 0.00 -0.86 0.98 -1.58 -0.36 0.00 0.00 175.35 173.53 3ikt s TRP 81 N 1.43 3.79 -0.17 4.03 0.52 0.94 -4.89 118.94 124.61 3ikt s TRP 81 Ca 0.02 1.83 -0.19 0.00 0.02 0.00 0.00 56.10 57.78 3ikt s TRP 81 Cb -0.22 -3.03 -0.03 0.00 -1.15 0.00 0.00 33.47 29.04 3ikt s TRP 81 CO 0.03 0.14 0.52 0.20 0.02 0.00 0.00 176.95 177.86 3ikt s GLY 82 N -1.26 2.20 0.35 0.98 0.00 -1.26 -0.50 107.32 107.83 3ikt s GLY 82 Ca 0.45 -0.30 0.09 0.00 0.00 0.00 0.00 44.72 44.96 3ikt s GLY 82 CO 0.31 1.00 -0.01 1.08 0.00 0.00 0.00 173.10 175.48 3ikt s LEU 83 N 1.29 2.90 0.04 0.66 1.43 0.23 -1.45 118.68 123.77 3ikt s LEU 83 Ca 0.25 -1.09 -0.15 0.00 -1.03 0.00 0.00 54.13 52.11 3ikt s LEU 83 Cb -0.15 -1.21 0.02 0.00 0.03 0.00 0.00 46.19 44.88 3ikt s LEU 83 CO 0.10 -0.26 0.33 0.00 0.23 0.00 0.00 176.35 176.75 3ikt s ILE 85 N -2.42 3.22 -0.28 0.00 1.01 0.20 -0.42 121.20 122.51 3ikt s ILE 85 Ca -0.06 -0.59 -0.03 0.00 0.00 0.00 0.00 60.65 59.98 3ikt s ILE 85 Cb -0.01 -2.39 0.03 0.00 0.01 0.00 0.00 42.46 40.11 3ikt s ILE 85 CO -0.02 0.50 -0.01 -0.69 0.00 0.00 0.00 174.94 174.71 3ikt s VAL 86 N 0.62 3.10 0.00 2.92 1.01 -0.45 0.20 120.40 127.80 3ikt s VAL 86 Ca -0.06 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.80 3ikt s VAL 86 Cb -0.15 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.56 3ikt s VAL 86 CO 0.03 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.78 3ikt n GLY 87 N 4.68 0.55 2.53 4.51 0.00 -0.24 -0.73 105.19 116.49 3ikt n GLY 87 Ca -0.15 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 3ikt n GLY 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3ikt n MET 88 N 0.00 3.43 0.00 1.61 0.00 -1.21 -3.83 117.12 117.12 3ikt n MET 88 Ca 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 57.70 54.70 3ikt n MET 88 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 33.22 30.87 3ikt n MET 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3ikt n GLY 89 N 1.01 1.62 0.23 3.03 0.00 -1.26 -4.51 105.19 105.31 3ikt n GLY 89 Ca 0.54 -1.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 3ikt n GLY 89 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ikt h ARG 90 N 0.00 -0.39 -0.20 1.61 -0.00 -1.94 0.58 114.38 114.05 3ikt h ARG 90 Ca 0.00 0.03 -0.05 0.00 -0.50 0.00 0.00 59.98 59.46 3ikt h ARG 90 Cb 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 29.97 30.05 3ikt h ARG 90 CO 0.00 -0.26 -0.06 1.25 0.00 0.00 0.00 179.97 180.90 3ikt h LEU 91 N -0.40 0.39 -0.60 3.04 5.85 -1.91 -2.06 115.31 119.62 3ikt h LEU 91 Ca 0.01 -0.38 0.08 0.00 0.84 0.00 0.00 57.88 58.43 3ikt h LEU 91 Cb 0.39 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 3ikt h LEU 91 CO -0.07 0.68 0.26 1.23 -0.34 0.00 0.00 178.44 180.20 3ikt h GLY 92 N 0.10 0.86 1.15 3.75 0.00 -1.64 -0.86 103.07 106.44 3ikt h GLY 92 Ca 0.05 -0.15 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 3ikt h GLY 92 CO 0.02 0.03 -0.05 1.76 0.00 0.00 0.00 176.54 178.30 3ikt h SER 93 N 0.47 0.99 -0.76 0.19 0.02 -0.84 -1.20 113.55 112.42 3ikt h SER 93 Ca 0.29 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3ikt h SER 93 Cb 0.31 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 3ikt h SER 93 CO -0.26 1.07 0.40 0.00 -1.14 0.00 0.00 176.83 176.90 3ikt h ALA 94 N 1.02 0.98 -0.38 3.77 0.00 -0.76 -2.32 119.26 121.58 3ikt h ALA 94 Ca 0.15 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3ikt h ALA 94 Cb 0.60 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3ikt h ALA 94 CO 0.04 0.51 -0.13 -0.07 0.00 0.00 0.00 179.25 179.59 3ikt h LEU 95 N 1.06 0.67 -1.71 0.00 3.38 -0.90 -1.91 115.31 115.90 3ikt h LEU 95 Ca 0.27 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3ikt h LEU 95 Cb 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3ikt h LEU 95 CO -0.04 0.82 -0.17 0.00 0.09 0.00 0.00 178.44 179.14 3ikt h ALA 96 N 1.24 1.59 -0.09 1.53 0.00 -0.69 -2.56 119.26 120.28 3ikt h ALA 96 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ikt h ALA 96 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3ikt h ALA 96 CO 0.04 0.21 0.00 -0.25 0.00 0.00 0.00 179.25 179.25 3ikt n ASP 97 N -4.14 2.95 -4.65 0.00 10.43 -1.00 -4.81 116.55 115.32 3ikt n ASP 97 Ca -0.02 -1.94 -0.42 0.00 2.57 0.00 0.00 54.79 54.98 3ikt n ASP 97 Cb 0.25 -0.04 -0.03 0.00 1.84 0.00 0.00 41.12 43.13 3ikt n ASP 97 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 3ikt s TYR 98 N -1.79 1.60 -0.29 1.24 5.04 -0.75 -4.85 117.35 117.55 3ikt s TYR 98 Ca 0.28 -0.05 0.03 0.00 -2.44 0.00 0.00 57.07 54.88 3ikt s TYR 98 Cb 0.19 -4.08 0.33 0.00 0.35 0.00 0.00 41.96 38.75 3ikt s TYR 98 CO 0.28 -4.59 1.37 -0.35 -1.34 0.00 0.00 175.55 170.92 3ikt n PRO 99 N 7.50 1.81 -0.47 4.97 -0.04 -1.26 -4.25 135.00 143.25 3ikt n PRO 99 Ca 0.20 -1.43 0.06 0.00 -0.04 0.00 0.00 63.50 62.29 3ikt n PRO 99 Cb 0.42 -1.61 0.11 0.00 -0.04 0.00 0.00 33.50 32.38 3ikt n PRO 99 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ikt n GLY 100 N -0.18 3.45 0.28 0.55 0.00 -1.26 -4.77 105.19 103.27 3ikt n GLY 100 Ca 0.26 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 3ikt n GLY 100 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3ikt h PHE 101 N 0.35 1.13 0.00 1.61 -1.00 -1.90 -3.50 116.94 113.64 3ikt h PHE 101 Ca -0.03 -0.26 0.00 0.00 2.81 0.00 0.00 57.97 60.49 3ikt h PHE 101 Cb 1.20 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 40.49 3ikt h PHE 101 CO 0.22 1.08 0.00 0.41 -1.61 0.00 0.00 178.31 178.41 3ikt n GLY 102 N -0.16 0.39 0.23 -1.45 0.00 -1.26 -4.39 105.19 98.54 3ikt n GLY 102 Ca 0.00 -1.97 0.15 0.00 0.00 0.00 0.00 46.02 44.21 3ikt n GLY 102 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ikt h GLU 103 N 0.00 0.00 0.00 1.61 4.39 -1.97 -3.15 114.58 115.46 3ikt h GLU 103 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ikt h GLU 103 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3ikt h GLU 103 CO 0.00 0.00 0.00 0.77 -1.16 0.00 0.00 179.01 178.62 3ikt h SER 104 N 0.00 0.00 -3.33 1.42 0.02 -1.81 -3.43 113.55 106.42 3ikt h SER 104 Ca 0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 3ikt h SER 104 Cb 0.56 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 62.73 3ikt h SER 104 CO 0.00 0.00 -0.80 -0.36 -1.14 0.00 0.00 176.83 174.53 3ikt s PHE 105 N -3.15 1.97 -0.17 3.45 0.40 -1.19 -0.04 117.98 119.26 3ikt s PHE 105 Ca 0.09 -1.25 -0.01 0.00 -0.60 0.00 0.00 56.93 55.17 3ikt s PHE 105 Cb 0.10 -1.44 -0.00 0.00 0.51 0.00 0.00 43.02 42.18 3ikt s PHE 105 CO 0.60 -0.66 -0.13 -2.00 0.70 0.00 0.00 175.22 173.74 3ikt s GLU 106 N 1.54 3.27 -0.10 0.44 2.12 0.35 -4.57 118.70 121.75 3ikt s GLU 106 Ca 0.01 -0.71 -0.30 0.00 0.36 0.00 0.00 54.97 54.33 3ikt s GLU 106 Cb -0.15 -2.71 -0.03 0.00 0.26 0.00 0.00 34.13 31.50 3ikt s GLU 106 CO -0.08 -0.01 1.24 -0.51 -0.54 0.00 0.00 175.26 175.35 3ikt s LEU 107 N 0.91 4.24 -0.01 2.70 1.43 -1.26 0.74 118.68 127.43 3ikt s LEU 107 Ca -0.03 1.78 0.01 0.00 -1.03 0.00 0.00 54.13 54.85 3ikt s LEU 107 Cb -0.15 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.53 3ikt s LEU 107 CO -0.01 -0.67 0.86 0.54 0.23 0.00 0.00 176.35 177.30 3ikt n ARG 108 N 5.83 1.98 -3.62 1.70 1.74 0.16 -4.87 116.66 119.59 3ikt n ARG 108 Ca 0.12 -1.24 -0.08 0.00 -0.77 0.00 0.00 57.85 55.89 3ikt n ARG 108 Cb 0.45 -0.86 -0.06 0.00 -1.02 0.00 0.00 32.46 30.97 3ikt n ARG 108 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3ikt s GLY 109 N -0.78 -0.08 -0.05 -0.13 0.00 -1.19 -4.97 107.32 100.12 3ikt s GLY 109 Ca 0.01 2.58 -0.01 0.00 0.00 0.00 0.00 44.72 47.31 3ikt s GLY 109 CO 0.00 1.43 0.01 -1.36 0.00 0.00 0.00 173.10 173.19 3ikt s PHE 110 N -0.50 0.43 0.18 1.90 0.40 -1.26 -0.63 117.98 118.49 3ikt s PHE 110 Ca 0.03 -0.02 0.08 0.00 -0.60 0.00 0.00 56.93 56.42 3ikt s PHE 110 Cb -0.03 -0.61 -0.04 0.00 0.51 0.00 0.00 43.02 42.85 3ikt s PHE 110 CO -0.05 -0.23 -0.17 -0.06 0.70 0.00 0.00 175.22 175.40 3ikt s PHE 111 N 1.71 1.80 0.21 0.36 0.40 0.13 -0.63 117.98 121.96 3ikt s PHE 111 Ca 0.00 -0.49 -0.22 0.00 -0.60 0.00 0.00 56.93 55.63 3ikt s PHE 111 Cb -0.13 -0.88 0.07 0.00 0.51 0.00 0.00 43.02 42.59 3ikt s PHE 111 CO -0.03 0.35 0.98 0.34 0.70 0.00 0.00 175.22 177.55 3ikt s ASP 112 N -2.82 -0.05 0.00 1.36 2.15 -0.60 -1.08 116.67 115.63 3ikt s ASP 112 Ca 0.17 -0.67 0.00 0.00 0.43 0.00 0.00 52.55 52.48 3ikt s ASP 112 Cb -0.05 0.55 0.00 0.00 -0.30 0.00 0.00 42.92 43.12 3ikt s ASP 112 CO 0.07 -1.07 0.01 1.33 -0.17 0.00 0.00 175.17 175.33 3ikt n VAL 113 N -0.61 0.00 -2.08 1.11 0.24 -1.26 -1.90 118.33 113.82 3ikt n VAL 113 Ca -0.05 -0.48 -0.43 0.00 -2.04 0.00 0.00 64.34 61.34 3ikt n VAL 113 Cb 0.60 1.00 -0.03 0.00 -1.47 0.00 0.00 33.84 33.94 3ikt n VAL 113 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3ikt s ASP 114 N -0.95 6.10 0.58 -1.34 -1.08 -1.26 -4.85 116.67 113.87 3ikt s ASP 114 Ca 0.00 1.33 0.32 0.00 -0.52 0.00 0.00 52.55 53.68 3ikt s ASP 114 Cb 0.00 -2.53 1.40 0.00 -1.46 0.00 0.00 42.92 40.33 3ikt s ASP 114 CO 0.00 -1.53 1.71 -0.65 0.52 0.00 0.00 175.17 175.22 3ikt h PRO 115 N 11.90 0.00 -0.01 4.34 0.11 -1.94 0.40 132.00 146.81 3ikt h PRO 115 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3ikt h PRO 115 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ikt h PRO 115 CO 1.03 0.00 -0.22 -1.91 -0.21 0.00 0.00 178.00 176.69 3ikt n GLU 116 N -3.78 0.99 -0.05 1.05 2.13 -1.26 -4.00 120.64 115.72 3ikt n GLU 116 Ca 0.20 -0.59 -0.03 0.00 0.66 0.00 0.00 57.16 57.39 3ikt n GLU 116 Cb 1.14 -1.49 -0.09 0.00 0.27 0.00 0.00 31.44 31.27 3ikt n GLU 116 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3ikt n LYS 117 N -0.49 1.77 -1.91 5.31 5.02 0.14 -4.85 118.16 123.15 3ikt n LYS 117 Ca 0.13 -0.03 -0.40 0.00 -2.02 0.00 0.00 58.31 55.99 3ikt n LYS 117 Cb 0.35 -1.30 -0.00 0.00 -0.02 0.00 0.00 35.03 34.06 3ikt n LYS 117 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ikt s VAL 118 N -2.39 2.29 0.00 -0.18 1.01 -0.83 -1.34 120.40 118.95 3ikt s VAL 118 Ca -0.06 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.20 3ikt s VAL 118 Cb 0.04 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.25 3ikt s VAL 118 CO 0.49 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3ikt n GLY 119 N 0.59 1.86 3.69 4.51 0.00 0.13 -4.98 105.19 110.99 3ikt n GLY 119 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3ikt n GLY 119 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ikt s ARG 120 N -0.13 4.37 0.38 1.61 3.52 -0.45 -4.78 118.95 123.47 3ikt s ARG 120 Ca 0.00 1.55 -0.25 0.00 -0.13 0.00 0.00 55.73 56.90 3ikt s ARG 120 Cb 0.00 -3.56 -0.09 0.00 -1.56 0.00 0.00 34.95 29.74 3ikt s ARG 120 CO 0.00 -0.41 1.13 -2.14 -0.81 0.00 0.00 175.30 173.07 3ikt s PRO 121 N 2.22 4.16 0.20 5.12 0.02 -1.26 -0.52 135.00 144.93 3ikt s PRO 121 Ca 0.53 1.76 -0.06 0.00 0.02 0.00 0.00 61.00 63.24 3ikt s PRO 121 Cb -0.22 -2.71 -0.02 0.00 0.02 0.00 0.00 34.50 31.57 3ikt s PRO 121 CO 0.20 -0.21 0.25 0.14 -0.33 0.00 0.00 177.00 177.05 3ikt s VAL 122 N -1.44 0.03 -0.28 3.83 -7.23 0.19 -4.88 120.40 110.62 3ikt s VAL 122 Ca 0.56 -1.70 -0.38 0.00 -1.81 0.00 0.00 61.98 58.64 3ikt s VAL 122 Cb -0.29 -2.23 -0.14 0.00 0.56 0.00 0.00 36.38 34.28 3ikt s VAL 122 CO 0.36 -0.12 1.90 -1.14 -0.31 0.00 0.00 175.10 175.79 3ikt n ARG 123 N -0.27 1.25 -1.66 4.82 0.63 -1.26 -0.59 116.66 119.58 3ikt n ARG 123 Ca -0.02 0.43 -0.10 0.00 -0.92 0.00 0.00 57.85 57.25 3ikt n ARG 123 Cb 0.64 -2.26 -0.03 0.00 0.45 0.00 0.00 32.46 31.26 3ikt n ARG 123 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ikt n GLY 124 N 4.96 0.65 0.00 5.14 0.00 -1.26 -4.90 105.19 109.78 3ikt n GLY 124 Ca 0.31 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3ikt n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ikt n GLY 125 N -1.46 -0.49 3.00 -0.02 0.00 0.24 -4.91 105.19 101.56 3ikt n GLY 125 Ca -0.11 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 3ikt n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ikt s VAL 126 N -3.10 0.08 0.05 1.61 0.11 -1.26 0.54 120.40 118.43 3ikt s VAL 126 Ca 0.00 -0.69 -0.31 0.00 -2.93 0.00 0.00 61.98 58.06 3ikt s VAL 126 Cb 0.00 -0.27 -0.06 0.00 -1.53 0.00 0.00 36.38 34.53 3ikt s VAL 126 CO 0.00 -0.38 1.24 -0.63 -3.33 0.00 0.00 175.10 172.00 3ikt s ILE 127 N -1.16 3.93 0.30 7.04 1.01 0.32 -4.36 121.20 128.28 3ikt s ILE 127 Ca -0.13 1.37 0.11 0.00 0.00 0.00 0.00 60.65 62.00 3ikt s ILE 127 Cb -0.08 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 3ikt s ILE 127 CO -0.00 0.09 -0.10 -1.61 0.00 0.00 0.00 174.94 173.32 3ikt s GLU 128 N 1.30 1.92 0.25 2.79 2.02 0.20 0.19 118.70 127.36 3ikt s GLU 128 Ca 0.60 -1.70 -0.30 0.00 0.02 0.00 0.00 54.97 53.59 3ikt s GLU 128 Cb -0.30 -1.89 -0.09 0.00 0.10 0.00 0.00 34.13 31.95 3ikt s GLU 128 CO 0.28 0.28 1.10 -1.58 0.02 0.00 0.00 175.26 175.36 3ikt s HIS 129 N -2.48 3.59 0.24 1.61 5.65 -1.26 -1.56 115.29 121.08 3ikt s HIS 129 Ca 0.32 1.68 0.25 0.00 0.25 0.00 0.00 55.06 57.55 3ikt s HIS 129 Cb -0.03 -3.28 1.36 0.00 -1.18 0.00 0.00 32.58 29.45 3ikt s HIS 129 CO 0.17 -0.55 1.74 -0.39 -0.65 0.00 0.00 174.74 175.06 3ikt h VAL 130 N 3.26 0.00 0.00 0.89 -1.51 -1.73 0.75 116.25 117.91 3ikt h VAL 130 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 3ikt h VAL 130 Cb 1.21 0.56 0.00 0.00 -2.13 0.00 0.00 31.29 30.93 3ikt h VAL 130 CO 0.68 0.00 0.00 0.44 -1.23 0.00 0.00 177.57 177.46 3ikt h ASP 131 N 0.00 0.00 0.16 4.19 3.45 -1.90 -1.79 116.42 120.53 3ikt h ASP 131 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3ikt h ASP 131 Cb 0.36 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.13 3ikt h ASP 131 CO 0.00 0.00 -0.06 0.18 -1.57 0.00 0.00 179.24 177.79 3ikt n LEU 132 N -3.08 0.66 -0.15 1.55 4.32 0.26 -4.28 117.00 116.28 3ikt n LEU 132 Ca -0.01 -0.15 -0.04 0.00 -0.02 0.00 0.00 56.01 55.79 3ikt n LEU 132 Cb 0.18 -0.08 0.05 0.00 -1.62 0.00 0.00 43.42 41.95 3ikt n LEU 132 CO 0.23 0.12 0.96 -0.07 -1.22 0.00 0.00 177.39 177.41 3ikt h LEU 133 N 0.95 0.17 -2.24 2.23 3.38 -1.50 -1.24 115.31 117.06 3ikt h LEU 133 Ca 0.00 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.07 3ikt h LEU 133 Cb 0.31 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3ikt h LEU 133 CO 0.00 0.13 0.22 -0.65 0.09 0.00 0.00 178.44 178.23 3ikt h PRO 134 N 0.34 0.00 -0.48 1.13 0.11 -1.82 0.16 132.00 131.44 3ikt h PRO 134 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3ikt h PRO 134 Cb 0.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.33 3ikt h PRO 134 CO -0.22 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 178.61 3ikt n GLN 135 N -3.63 2.52 0.00 1.05 3.00 -0.54 -4.54 117.38 115.24 3ikt n GLN 135 Ca 0.01 -2.33 0.00 0.00 -0.01 0.00 0.00 57.00 54.67 3ikt n GLN 135 Cb 0.34 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.09 3ikt n GLN 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3ikt n ARG 136 N 1.39 2.40 -0.01 -1.09 5.12 0.37 -4.93 116.66 119.92 3ikt n ARG 136 Ca 0.19 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 56.05 3ikt n ARG 136 Cb 0.58 -0.81 -0.05 0.00 -1.16 0.00 0.00 32.46 31.01 3ikt n ARG 136 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3ikt h VAL 137 N 0.00 0.60 -0.95 1.55 2.07 -1.29 -3.39 116.25 114.84 3ikt h VAL 137 Ca 0.00 -1.30 -0.86 0.00 0.82 0.00 0.00 66.70 65.36 3ikt h VAL 137 Cb 0.38 1.09 0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3ikt h VAL 137 CO 0.00 0.19 0.76 -2.65 0.02 0.00 0.00 177.57 175.89 3ikt n PRO 138 N -4.81 0.09 -0.79 1.57 -0.02 -1.26 -0.68 135.00 129.11 3ikt n PRO 138 Ca -0.05 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3ikt n PRO 138 Cb 0.19 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 3ikt n PRO 138 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ikt n GLY 139 N 4.33 0.40 0.00 -1.23 0.00 -1.26 -4.71 105.19 102.72 3ikt n GLY 139 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3ikt n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ikt n ARG 140 N -1.73 0.82 -3.93 1.61 1.74 -0.02 -5.05 116.66 110.10 3ikt n ARG 140 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 3ikt n ARG 140 Cb 0.06 -0.79 -0.16 0.00 -1.02 0.00 0.00 32.46 30.55 3ikt n ARG 140 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3ikt s ILE 141 N -1.58 1.32 -0.20 0.55 1.01 0.15 -4.27 121.20 118.18 3ikt s ILE 141 Ca 0.00 -0.77 0.15 0.00 0.00 0.00 0.00 60.65 60.03 3ikt s ILE 141 Cb 0.00 -1.45 -0.24 0.00 0.01 0.00 0.00 42.46 40.78 3ikt s ILE 141 CO 0.00 0.15 0.06 -0.62 0.00 0.00 0.00 174.94 174.53 3ikt n GLU 142 N 4.80 0.68 -5.14 2.79 4.71 -0.53 -4.66 120.64 123.28 3ikt n GLU 142 Ca -0.13 0.03 -0.31 0.00 -0.01 0.00 0.00 57.16 56.74 3ikt n GLU 142 Cb 0.47 -1.54 -0.17 0.00 -1.01 0.00 0.00 31.44 29.20 3ikt n GLU 142 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 3ikt s ILE 143 N -2.50 1.94 -0.10 -3.67 1.01 -0.88 -1.06 121.20 115.94 3ikt s ILE 143 Ca -0.13 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.57 3ikt s ILE 143 Cb 0.07 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.83 3ikt s ILE 143 CO 0.80 0.53 -0.12 0.00 0.00 0.00 0.00 174.94 176.15 3ikt s ALA 144 N 0.34 2.71 -0.37 9.38 0.00 -0.53 -1.77 121.76 131.53 3ikt s ALA 144 Ca -0.17 -0.91 -0.18 0.00 0.00 0.00 0.00 51.96 50.69 3ikt s ALA 144 Cb -0.17 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.77 3ikt s ALA 144 CO 0.08 0.37 0.53 -0.51 0.00 0.00 0.00 175.76 176.23 3ikt s LEU 145 N -0.08 4.41 -0.48 0.00 1.02 0.44 -0.84 118.68 123.14 3ikt s LEU 145 Ca -0.01 -0.12 -0.20 0.00 0.02 0.00 0.00 54.13 53.82 3ikt s LEU 145 Cb -0.14 -2.60 0.04 0.00 0.02 0.00 0.00 46.19 43.52 3ikt s LEU 145 CO 0.03 -0.53 0.64 -0.22 0.02 0.00 0.00 176.35 176.30 3ikt s LEU 146 N 2.44 4.74 -0.33 1.79 2.96 0.52 -1.34 118.68 129.47 3ikt s LEU 146 Ca 0.19 -0.67 0.12 0.00 -0.22 0.00 0.00 54.13 53.54 3ikt s LEU 146 Cb -0.15 -2.56 0.46 0.00 0.50 0.00 0.00 46.19 44.44 3ikt s LEU 146 CO 0.14 -0.87 1.12 0.35 -1.32 0.00 0.00 176.35 175.77 3ikt n THR 147 N 5.73 1.99 -3.07 3.68 -2.24 0.09 -1.73 114.28 118.74 3ikt n THR 147 Ca -0.04 -3.96 -0.19 0.00 -2.27 0.00 0.00 64.05 57.59 3ikt n THR 147 Cb 0.46 -0.38 0.01 0.00 -2.10 0.00 0.00 70.33 68.32 3ikt n THR 147 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3ikt s VAL 148 N -4.46 3.29 0.87 2.28 -7.23 -1.23 -4.57 120.40 109.35 3ikt s VAL 148 Ca 0.41 -0.91 -0.11 0.00 -1.81 0.00 0.00 61.98 59.57 3ikt s VAL 148 Cb 0.40 -3.14 0.12 0.00 0.56 0.00 0.00 36.38 34.32 3ikt s VAL 148 CO -0.04 -0.06 1.16 -2.84 -0.31 0.00 0.00 175.10 173.01 3ikt s PRO 149 N -4.39 1.29 0.20 4.82 0.02 -1.26 -4.70 135.00 130.99 3ikt s PRO 149 Ca 0.52 1.57 -0.16 0.00 0.02 0.00 0.00 61.00 62.95 3ikt s PRO 149 Cb -0.10 -1.76 0.19 0.00 0.02 0.00 0.00 34.50 32.85 3ikt s PRO 149 CO 0.34 -2.44 1.62 -0.09 -0.33 0.00 0.00 177.00 176.10 3ikt h ARG 150 N -1.55 -0.06 0.00 5.54 2.43 -1.97 -1.00 114.38 117.77 3ikt h ARG 150 Ca -0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3ikt h ARG 150 Cb 1.27 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 3ikt h ARG 150 CO 0.44 -0.04 0.00 1.05 -1.51 0.00 0.00 179.97 179.90 3ikt h GLU 151 N -0.07 0.00 0.00 0.20 9.09 -2.00 -2.77 114.58 119.04 3ikt h GLU 151 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.68 3ikt h GLU 151 Cb 0.48 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.58 3ikt h GLU 151 CO -0.63 0.00 -1.19 0.00 0.05 0.00 0.00 179.01 177.25 3ikt n ALA 152 N -1.84 3.72 -0.04 1.06 0.00 -0.44 -4.72 120.51 118.26 3ikt n ALA 152 Ca -0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 53.44 52.88 3ikt n ALA 152 Cb 0.14 -0.63 -0.02 0.00 0.00 0.00 0.00 19.45 18.93 3ikt n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ikt h ALA 153 N 2.19 0.02 -0.66 0.00 0.00 -1.10 -1.59 119.26 118.13 3ikt h ALA 153 Ca 0.00 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3ikt h ALA 153 Cb 0.56 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 3ikt h ALA 153 CO 0.00 -0.56 0.42 0.37 0.00 0.00 0.00 179.25 179.48 3ikt h GLN 154 N -0.13 0.82 -0.55 0.00 5.75 -1.84 0.45 115.11 119.61 3ikt h GLN 154 Ca 0.12 -0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.47 3ikt h GLN 154 Cb 0.30 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 3ikt h GLN 154 CO -0.28 0.54 -0.05 0.87 -2.65 0.00 0.00 178.83 177.26 3ikt h LYS 155 N 0.84 1.01 -0.51 1.69 1.57 -1.85 -0.98 116.57 118.34 3ikt h LYS 155 Ca 0.25 -0.34 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 3ikt h LYS 155 Cb -0.04 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 3ikt h LYS 155 CO -0.08 1.02 0.01 0.00 -0.57 0.00 0.00 179.45 179.83 3ikt h ALA 156 N 0.95 1.04 -0.42 3.86 0.00 -0.83 -2.13 119.26 121.73 3ikt h ALA 156 Ca 0.15 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3ikt h ALA 156 Cb 0.60 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3ikt h ALA 156 CO 0.04 0.60 -0.04 0.00 0.00 0.00 0.00 179.25 179.84 3ikt h ALA 157 N 1.20 1.14 -0.83 0.00 0.00 -0.63 -1.21 119.26 118.93 3ikt h ALA 157 Ca 0.15 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3ikt h ALA 157 Cb 0.47 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3ikt h ALA 157 CO 0.02 0.55 0.40 -0.44 0.00 0.00 0.00 179.25 179.78 3ikt h ASP 158 N 0.66 1.08 -0.14 0.00 3.32 -0.57 -0.05 116.42 120.71 3ikt h ASP 158 Ca 0.13 -0.13 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 3ikt h ASP 158 Cb 0.47 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3ikt h ASP 158 CO 0.02 0.90 -0.44 -0.07 -1.72 0.00 0.00 179.24 177.94 3ikt h LEU 159 N 1.18 0.75 -0.50 1.55 3.38 -0.96 -0.79 115.31 119.92 3ikt h LEU 159 Ca 0.28 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 3ikt h LEU 159 Cb 0.11 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3ikt h LEU 159 CO -0.04 1.08 -0.08 -0.07 0.09 0.00 0.00 178.44 179.42 3ikt h LEU 160 N 0.56 0.94 0.35 1.67 3.38 -0.87 -0.93 115.31 120.41 3ikt h LEU 160 Ca 0.04 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 3ikt h LEU 160 Cb 0.99 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3ikt h LEU 160 CO 0.09 1.06 -0.17 0.58 0.09 0.00 0.00 178.44 180.10 3ikt h VAL 161 N 0.79 0.67 -0.61 1.22 2.07 -0.88 -1.71 116.25 117.80 3ikt h VAL 161 Ca 0.13 -0.22 0.13 0.00 0.82 0.00 0.00 66.70 67.57 3ikt h VAL 161 Cb 0.63 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3ikt h VAL 161 CO 0.04 0.04 0.42 0.00 0.02 0.00 0.00 177.57 178.10 3ikt h ALA 162 N 0.02 2.24 0.00 1.67 0.00 -1.09 0.10 119.26 122.19 3ikt h ALA 162 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ikt h ALA 162 Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3ikt h ALA 162 CO 0.08 -0.40 0.00 0.00 0.00 0.00 0.00 179.25 178.93 3ikt n ALA 163 N -2.57 2.10 0.00 0.00 0.00 -0.36 -4.91 120.51 114.77 3ikt n ALA 163 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3ikt n ALA 163 Cb 0.51 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3ikt n ALA 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ikt n GLY 164 N 0.98 1.03 3.75 0.00 0.00 0.35 -4.11 105.19 107.20 3ikt n GLY 164 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3ikt n GLY 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ikt s ILE 165 N -2.00 2.70 -0.14 -0.61 1.10 -0.68 -4.82 121.20 116.74 3ikt s ILE 165 Ca 0.00 0.41 0.14 0.00 -0.51 0.00 0.00 60.65 60.69 3ikt s ILE 165 Cb 0.00 -3.09 -0.20 0.00 0.15 0.00 0.00 42.46 39.32 3ikt s ILE 165 CO 0.00 -0.12 0.08 0.29 -2.11 0.00 0.00 174.94 173.08 3ikt n LYS 166 N -1.84 1.33 -3.84 3.50 5.02 -0.22 -4.83 118.16 117.29 3ikt n LYS 166 Ca 0.13 -0.02 -0.12 0.00 -2.02 0.00 0.00 58.31 56.28 3ikt n LYS 166 Cb 0.50 -1.41 -0.11 0.00 -0.02 0.00 0.00 35.03 33.99 3ikt n LYS 166 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3ikt s GLY 167 N -4.85 -0.05 -0.11 0.72 0.00 -0.43 -1.23 107.32 101.37 3ikt s GLY 167 Ca -0.08 0.19 0.01 0.00 0.00 0.00 0.00 44.72 44.85 3ikt s GLY 167 CO 0.65 0.09 -0.14 -0.42 0.00 0.00 0.00 173.10 173.28 3ikt s ILE 168 N -0.63 1.45 -0.50 0.90 1.01 0.67 -1.45 121.20 122.65 3ikt s ILE 168 Ca -0.07 -0.60 -0.17 0.00 0.00 0.00 0.00 60.65 59.81 3ikt s ILE 168 Cb -0.04 -1.34 0.08 0.00 0.01 0.00 0.00 42.46 41.17 3ikt s ILE 168 CO 0.01 0.43 0.48 -0.22 0.00 0.00 0.00 174.94 175.65 3ikt s LEU 169 N 1.08 5.61 -0.35 2.97 2.96 -0.02 -1.15 118.68 129.77 3ikt s LEU 169 Ca -0.05 -1.36 -0.20 0.00 -0.22 0.00 0.00 54.13 52.30 3ikt s LEU 169 Cb -0.15 -2.25 0.00 0.00 0.50 0.00 0.00 46.19 44.30 3ikt s LEU 169 CO -0.03 -0.77 0.63 0.21 -1.32 0.00 0.00 176.35 175.06 3ikt s ASN 170 N 2.91 6.42 0.00 3.68 2.47 0.48 -0.35 114.94 130.55 3ikt s ASN 170 Ca 0.06 0.14 0.25 0.00 0.42 0.00 0.00 52.86 53.73 3ikt s ASN 170 Cb -0.25 -2.32 0.49 0.00 -1.45 0.00 0.00 41.25 37.73 3ikt s ASN 170 CO 0.07 -0.58 1.43 0.49 -3.72 0.00 0.00 177.10 174.79 3ikt n PHE 171 N 6.01 0.08 -3.49 0.43 3.01 -0.70 -1.36 117.46 121.45 3ikt n PHE 171 Ca -0.01 -0.04 -0.35 0.00 1.01 0.00 0.00 57.45 58.05 3ikt n PHE 171 Cb 0.49 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.90 3ikt n PHE 171 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ikt s ALA 172 N -1.92 3.67 -1.03 4.37 0.00 -1.26 -4.84 121.76 120.76 3ikt s ALA 172 Ca 0.32 -0.28 -0.08 0.00 0.00 0.00 0.00 51.96 51.93 3ikt s ALA 172 Cb 0.20 -2.37 -0.12 0.00 0.00 0.00 0.00 23.12 20.84 3ikt s ALA 172 CO 0.31 0.52 2.79 -0.35 0.00 0.00 0.00 175.76 179.03 3ikt n PRO 173 N 0.97 2.77 -3.97 0.00 -0.04 -1.26 -4.82 135.00 128.65 3ikt n PRO 173 Ca -0.08 -1.66 -0.08 0.00 -0.04 0.00 0.00 63.50 61.64 3ikt n PRO 173 Cb 0.52 -2.48 -0.09 0.00 -0.04 0.00 0.00 33.50 31.41 3ikt n PRO 173 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3ikt s VAL 174 N 2.27 0.18 -0.39 0.52 -7.23 -1.26 -5.07 120.40 109.42 3ikt s VAL 174 Ca 0.59 -1.45 -0.16 0.00 -1.81 0.00 0.00 61.98 59.14 3ikt s VAL 174 Cb 0.18 -1.35 0.01 0.00 0.56 0.00 0.00 36.38 35.78 3ikt s VAL 174 CO -0.04 -0.80 0.38 -0.69 -0.31 0.00 0.00 175.10 173.64 3ikt s VAL 175 N -3.70 5.15 0.30 1.32 1.01 -1.26 -5.05 120.40 118.17 3ikt s VAL 175 Ca 0.04 -0.23 -0.28 0.00 0.00 0.00 0.00 61.98 61.51 3ikt s VAL 175 Cb 0.05 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.41 3ikt s VAL 175 CO -0.10 -0.27 1.07 -0.76 0.00 0.00 0.00 175.10 175.04 3ikt s LEU 176 N 2.02 4.47 -0.29 3.92 1.43 -1.26 -5.03 118.68 123.93 3ikt s LEU 176 Ca 0.11 2.17 -0.08 0.00 -1.03 0.00 0.00 54.13 55.30 3ikt s LEU 176 Cb -0.17 -3.76 -0.01 0.00 0.03 0.00 0.00 46.19 42.28 3ikt s LEU 176 CO 0.12 -0.19 0.12 -1.61 0.23 0.00 0.00 176.35 175.02 3ikt s GLU 177 N -1.66 3.41 0.05 1.70 2.02 -1.26 -5.08 118.70 117.88 3ikt s GLU 177 Ca 0.47 -0.66 -0.03 0.00 0.02 0.00 0.00 54.97 54.77 3ikt s GLU 177 Cb -0.29 -3.46 -0.03 0.00 0.10 0.00 0.00 34.13 30.45 3ikt s GLU 177 CO 0.37 -0.35 0.03 0.14 0.02 0.00 0.00 175.26 175.47 3ikt s VAL 178 N 1.60 0.19 0.60 2.63 -7.23 -1.26 -4.87 120.40 112.06 3ikt s VAL 178 Ca 0.05 -1.54 -0.19 0.00 -1.81 0.00 0.00 61.98 58.49 3ikt s VAL 178 Cb -0.16 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.42 3ikt s VAL 178 CO 0.05 -0.85 1.15 -2.65 -0.31 0.00 0.00 175.10 172.49 3ikt n PRO 179 N 0.27 1.15 -0.32 4.82 -0.02 -1.26 -4.86 135.00 134.78 3ikt n PRO 179 Ca -0.16 0.44 0.17 0.00 -2.02 0.00 0.00 63.50 61.93 3ikt n PRO 179 Cb 0.60 -2.36 0.35 0.00 -0.02 0.00 0.00 33.50 32.07 3ikt n PRO 179 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3ikt h LYS 180 N 0.74 0.13 0.00 -0.52 3.64 -2.04 0.20 116.57 118.72 3ikt h LYS 180 Ca -0.50 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3ikt h LYS 180 Cb 1.34 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 3ikt h LYS 180 CO 0.53 0.09 0.00 -0.85 -2.27 0.00 0.00 179.45 176.95 3ikt n GLU 181 N -5.29 0.71 -3.96 1.90 0.00 -1.26 -4.63 120.64 108.10 3ikt n GLU 181 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 57.16 57.06 3ikt n GLU 181 Cb 0.81 -1.37 -0.13 0.00 0.00 0.00 0.00 31.44 30.76 3ikt n GLU 181 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3ikt s VAL 182 N -2.00 4.01 0.26 3.84 1.01 0.06 -4.94 120.40 122.64 3ikt s VAL 182 Ca 0.25 -0.29 -0.26 0.00 0.00 0.00 0.00 61.98 61.69 3ikt s VAL 182 Cb 0.12 -2.83 -0.09 0.00 0.00 0.00 0.00 36.38 33.57 3ikt s VAL 182 CO 0.19 0.40 0.88 0.00 0.00 0.00 0.00 175.10 176.58 3ikt s ALA 183 N 1.20 3.31 -0.03 5.51 0.00 -0.37 -4.80 121.76 126.59 3ikt s ALA 183 Ca 0.03 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.48 3ikt s ALA 183 Cb -0.14 -3.10 0.01 0.00 0.00 0.00 0.00 23.12 19.89 3ikt s ALA 183 CO 0.02 0.23 -0.08 0.08 0.00 0.00 0.00 175.76 176.01 3ikt s VAL 184 N -1.42 0.70 -0.06 0.00 1.01 -1.26 -0.24 120.40 119.14 3ikt s VAL 184 Ca 0.44 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.16 3ikt s VAL 184 Cb -0.21 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.54 3ikt s VAL 184 CO 0.26 0.24 -0.09 -1.61 0.00 0.00 0.00 175.10 173.89 3ikt s GLU 185 N 0.42 1.37 -0.12 2.72 0.41 -0.30 -4.97 118.70 118.24 3ikt s GLU 185 Ca -0.06 -0.30 -0.07 0.00 -0.41 0.00 0.00 54.97 54.13 3ikt s GLU 185 Cb -0.10 -1.19 -0.04 0.00 -1.78 0.00 0.00 34.13 31.02 3ikt s GLU 185 CO 0.01 -0.01 0.14 -0.80 -0.49 0.00 0.00 175.26 174.11 3ikt s ASN 186 N 0.72 6.35 -0.33 -0.19 0.01 -1.26 -0.38 114.94 119.87 3ikt s ASN 186 Ca -0.13 0.46 0.03 0.00 -0.71 0.00 0.00 52.86 52.50 3ikt s ASN 186 Cb -0.15 -2.05 0.10 0.00 0.41 0.00 0.00 41.25 39.56 3ikt s ASN 186 CO 0.02 0.41 0.05 -0.69 -1.51 0.00 0.00 177.10 175.38 3ikt s VAL 187 N -1.03 1.99 -0.47 1.60 1.01 -0.46 -4.93 120.40 118.11 3ikt s VAL 187 Ca 0.15 -2.10 0.02 0.00 0.00 0.00 0.00 61.98 60.06 3ikt s VAL 187 Cb -0.12 -2.45 0.12 0.00 0.00 0.00 0.00 36.38 33.94 3ikt s VAL 187 CO 0.04 -0.56 0.22 -0.62 0.00 0.00 0.00 175.10 174.18 3ikt s ASP 188 N 1.06 4.72 0.23 3.32 3.68 -1.26 -4.29 116.67 124.14 3ikt s ASP 188 Ca 0.09 -2.60 0.06 0.00 2.13 0.00 0.00 52.55 52.22 3ikt s ASP 188 Cb -0.19 -1.70 0.23 0.00 -1.45 0.00 0.00 42.92 39.82 3ikt s ASP 188 CO -0.11 -0.34 1.54 2.19 0.13 0.00 0.00 175.17 178.58 3ikt h PHE 189 N 7.12 0.23 -0.19 -5.34 -0.00 -1.97 -2.37 116.94 114.42 3ikt h PHE 189 Ca -0.06 -0.09 -0.07 0.00 -0.00 0.00 0.00 57.97 57.74 3ikt h PHE 189 Cb 0.96 -0.04 -0.01 0.00 -0.00 0.00 0.00 35.95 36.86 3ikt h PHE 189 CO 0.54 0.77 -0.18 -0.07 -0.00 0.00 0.00 178.31 179.37 3ikt h LEU 190 N 0.12 0.32 -0.34 2.10 3.38 -1.96 -0.45 115.31 118.49 3ikt h LEU 190 Ca -0.01 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 3ikt h LEU 190 Cb 1.17 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3ikt h LEU 190 CO 0.10 0.52 -0.32 0.00 0.09 0.00 0.00 178.44 178.83 3ikt h ALA 191 N 1.51 0.49 -0.82 1.53 0.00 -1.95 -1.28 119.26 118.75 3ikt h ALA 191 Ca 0.05 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.55 3ikt h ALA 191 Cb 0.50 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3ikt h ALA 191 CO 0.03 0.53 0.54 0.78 0.00 0.00 0.00 179.25 181.14 3ikt h GLY 192 N 0.59 1.15 1.00 0.00 0.00 -0.89 0.47 103.07 105.38 3ikt h GLY 192 Ca 0.06 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3ikt h GLY 192 CO 0.08 0.42 0.18 1.41 0.00 0.00 0.00 176.54 178.63 3ikt h LEU 193 N 1.11 0.31 -1.11 3.11 3.38 -0.87 -0.79 115.31 120.46 3ikt h LEU 193 Ca 0.30 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 3ikt h LEU 193 Cb -0.13 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3ikt h LEU 193 CO -0.06 0.23 -0.22 0.74 0.09 0.00 0.00 178.44 179.21 3ikt h THR 194 N 0.36 1.24 -0.52 0.22 2.02 -0.78 -1.34 112.91 114.12 3ikt h THR 194 Ca 0.10 -1.13 -0.07 0.00 0.77 0.00 0.00 66.41 66.08 3ikt h THR 194 Cb -0.03 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 3ikt h THR 194 CO -0.02 0.35 0.05 0.03 0.37 0.00 0.00 175.52 176.30 3ikt h ARG 195 N 0.32 0.88 -0.62 6.66 3.08 -0.46 -1.59 114.38 122.65 3ikt h ARG 195 Ca 0.05 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3ikt h ARG 195 Cb 0.58 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 3ikt h ARG 195 CO 0.04 0.88 0.40 -0.07 -1.07 0.00 0.00 179.97 180.16 3ikt h LEU 196 N 0.76 0.72 -0.51 3.04 3.38 -0.63 0.19 115.31 122.26 3ikt h LEU 196 Ca 0.15 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.17 3ikt h LEU 196 Cb 0.45 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 3ikt h LEU 196 CO 0.02 0.54 0.14 -1.28 0.09 0.00 0.00 178.44 177.94 3ikt h SER 197 N 0.84 0.09 -0.27 -0.43 0.87 -0.88 0.11 113.55 113.89 3ikt h SER 197 Ca 0.23 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.83 3ikt h SER 197 Cb -0.08 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 3ikt h SER 197 CO -0.05 0.08 0.03 0.15 -0.53 0.00 0.00 176.83 176.51 3ikt h PHE 198 N 0.30 0.48 -0.53 2.24 3.57 -0.59 -2.57 116.94 119.84 3ikt h PHE 198 Ca 0.25 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.72 3ikt h PHE 198 Cb 0.31 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 3ikt h PHE 198 CO -0.20 0.57 0.29 0.00 -2.23 0.00 0.00 178.31 176.74 3ikt h ALA 199 N 0.85 0.68 -0.49 2.41 0.00 -0.05 -1.50 119.26 121.16 3ikt h ALA 199 Ca 0.08 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3ikt h ALA 199 Cb 0.36 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3ikt h ALA 199 CO 0.01 -0.04 0.20 0.82 0.00 0.00 0.00 179.25 180.24 3ikt h ILE 200 N 0.56 1.18 -0.00 0.00 2.04 -0.71 -2.23 117.51 118.35 3ikt h ILE 200 Ca 0.23 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3ikt h ILE 200 Cb 0.10 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3ikt h ILE 200 CO -0.14 0.22 -0.15 0.18 0.00 0.00 0.00 178.15 178.26 3ikt n LEU 201 N -4.35 0.17 -3.08 1.44 4.77 -0.90 -4.12 117.00 110.93 3ikt n LEU 201 Ca 0.04 0.32 -0.21 0.00 -0.03 0.00 0.00 56.01 56.14 3ikt n LEU 201 Cb 0.15 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 3ikt n LEU 201 CO 0.38 0.04 -0.10 0.59 -1.33 0.00 0.00 177.39 176.97 3ikt n ASN 202 N -1.47 2.06 -0.32 -1.43 3.02 -0.62 -4.94 115.26 111.56 3ikt n ASN 202 Ca 0.07 -3.22 -0.01 0.00 -0.03 0.00 0.00 54.58 51.39 3ikt n ASN 202 Cb 0.33 -0.59 0.16 0.00 -0.61 0.00 0.00 39.78 39.07 3ikt n ASN 202 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3ikt h PRO 203 N 2.99 1.21 -0.43 3.52 0.13 -1.68 -1.78 132.00 135.95 3ikt h PRO 203 Ca 0.10 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 3ikt h PRO 203 Cb 0.83 -0.27 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 3ikt h PRO 203 CO 0.61 0.80 0.24 -0.22 -0.23 0.00 0.00 178.00 179.19 3ikt h LYS 204 N 1.25 0.61 -0.09 0.86 3.64 -1.92 0.75 116.57 121.67 3ikt h LYS 204 Ca 0.34 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.67 3ikt h LYS 204 Cb -0.14 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.56 3ikt h LYS 204 CO -0.08 0.49 0.20 2.35 -2.27 0.00 0.00 179.45 180.14 3ikt h TRP 205 N 0.57 0.00 0.00 1.91 7.01 -1.78 -3.56 115.95 120.10 3ikt h TRP 205 Ca 0.15 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.15 3ikt h TRP 205 Cb 0.06 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.12 3ikt h TRP 205 CO -0.02 0.00 0.00 0.54 -2.79 0.00 0.00 178.44 176.17