#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ikt s LYS 2 N 0.00 3.73 -0.33 2.12 1.02 -1.26 -5.04 119.74 119.98 3ikt s LYS 2 Ca 0.00 -0.44 -0.23 0.00 0.02 0.00 0.00 55.97 55.32 3ikt s LYS 2 Cb 0.00 -3.35 0.00 0.00 -0.52 0.00 0.00 37.83 33.96 3ikt s LYS 2 CO 0.00 -0.13 0.75 0.08 -0.92 0.00 0.00 175.35 175.13 3ikt s VAL 3 N 1.47 4.80 0.51 3.17 1.01 -1.26 -5.06 120.40 125.05 3ikt s VAL 3 Ca 0.06 0.96 -0.21 0.00 0.00 0.00 0.00 61.98 62.79 3ikt s VAL 3 Cb -0.15 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.03 3ikt s VAL 3 CO 0.04 -0.31 1.18 -2.16 0.00 0.00 0.00 175.10 173.86 3ikt s PRO 4 N 2.93 3.48 0.53 2.72 0.04 -1.26 -4.89 135.00 138.55 3ikt s PRO 4 Ca 0.30 1.78 0.34 0.00 0.04 0.00 0.00 61.00 63.47 3ikt s PRO 4 Cb -0.14 -2.22 1.52 0.00 0.04 0.00 0.00 34.50 33.70 3ikt s PRO 4 CO 0.14 -0.78 2.01 1.05 0.04 0.00 0.00 177.00 179.46 3ikt h GLU 5 N 1.61 0.00 0.00 4.56 4.11 -2.02 -1.84 114.58 121.00 3ikt h GLU 5 Ca -0.50 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.88 3ikt h GLU 5 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 3ikt h GLU 5 CO 0.58 0.00 -0.25 0.00 0.07 0.00 0.00 179.01 179.41 3ikt h ALA 6 N 2.03 1.27 -0.13 1.06 0.00 -2.01 -2.76 119.26 118.72 3ikt h ALA 6 Ca 0.00 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 3ikt h ALA 6 Cb 0.38 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3ikt h ALA 6 CO 0.00 0.31 -0.69 0.00 0.00 0.00 0.00 179.25 178.88 3ikt h ALA 7 N 1.75 0.55 -0.69 0.00 0.00 -1.70 -2.79 119.26 116.39 3ikt h ALA 7 Ca -0.00 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 3ikt h ALA 7 Cb 0.56 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3ikt h ALA 7 CO 0.03 0.72 0.42 0.82 0.00 0.00 0.00 179.25 181.24 3ikt h ILE 8 N 0.39 1.20 -0.68 0.00 1.08 -1.56 0.53 117.51 118.46 3ikt h ILE 8 Ca -0.02 -0.43 -0.02 0.00 -0.39 0.00 0.00 64.86 63.99 3ikt h ILE 8 Cb 1.27 0.24 -0.03 0.00 -3.07 0.00 0.00 36.82 35.22 3ikt h ILE 8 CO 0.13 0.20 0.33 0.28 -0.69 0.00 0.00 178.15 178.40 3ikt h SER 9 N 0.94 0.88 -0.06 1.72 0.02 -1.48 -1.95 113.55 113.62 3ikt h SER 9 Ca 0.25 -0.13 -0.10 0.00 -0.84 0.00 0.00 61.79 60.97 3ikt h SER 9 Cb -0.03 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 3ikt h SER 9 CO -0.05 0.76 -0.26 0.03 -1.14 0.00 0.00 176.83 176.18 3ikt h ARG 10 N 0.94 0.50 -0.86 3.45 3.08 -1.14 -2.54 114.38 117.80 3ikt h ARG 10 Ca 0.23 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3ikt h ARG 10 Cb 0.11 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 3ikt h ARG 10 CO -0.03 0.72 0.44 -0.07 -1.07 0.00 0.00 179.97 179.96 3ikt h LEU 11 N 0.44 1.11 -1.05 3.04 3.38 -0.33 0.84 115.31 122.73 3ikt h LEU 11 Ca 0.06 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.95 3ikt h LEU 11 Cb 0.68 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 3ikt h LEU 11 CO 0.05 0.91 0.64 0.40 0.09 0.00 0.00 178.44 180.53 3ikt h ILE 12 N 1.22 1.18 -0.35 1.22 2.04 -1.03 -0.63 117.51 121.17 3ikt h ILE 12 Ca 0.30 -0.43 -0.15 0.00 1.00 0.00 0.00 64.86 65.59 3ikt h ILE 12 Cb 0.08 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 35.98 3ikt h ILE 12 CO -0.04 0.23 -0.35 0.74 0.00 0.00 0.00 178.15 178.72 3ikt h THR 13 N 1.24 1.28 -0.65 -0.27 2.02 -0.92 -2.76 112.91 112.85 3ikt h THR 13 Ca 0.38 -1.52 -0.02 0.00 0.77 0.00 0.00 66.41 66.02 3ikt h THR 13 Cb -0.02 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 3ikt h THR 13 CO -0.11 0.50 0.34 1.88 0.37 0.00 0.00 175.52 178.50 3ikt h TYR 14 N 0.65 0.91 -0.85 3.16 0.05 -0.12 -2.17 116.97 118.60 3ikt h TYR 14 Ca 0.06 -0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 3ikt h TYR 14 Cb 0.94 -0.29 -0.04 0.00 1.01 0.00 0.00 36.73 38.35 3ikt h TYR 14 CO 0.07 0.66 0.52 1.25 -1.05 0.00 0.00 178.16 179.61 3ikt h LEU 15 N 0.89 1.01 -0.83 3.88 5.85 -1.09 -0.23 115.31 124.80 3ikt h LEU 15 Ca 0.23 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 3ikt h LEU 15 Cb 0.07 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 3ikt h LEU 15 CO -0.03 0.77 0.09 0.03 -0.34 0.00 0.00 178.44 178.95 3ikt h ARG 16 N 1.17 0.96 -0.45 1.25 3.08 -1.17 -0.73 114.38 118.49 3ikt h ARG 16 Ca 0.31 -0.24 -0.10 0.00 0.07 0.00 0.00 59.98 60.02 3ikt h ARG 16 Cb -0.06 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 3ikt h ARG 16 CO -0.06 0.89 -0.13 0.82 -1.07 0.00 0.00 179.97 180.43 3ikt h ILE 17 N 0.90 1.26 -0.59 2.04 2.04 -0.74 -1.98 117.51 120.45 3ikt h ILE 17 Ca 0.18 -1.22 -0.09 0.00 1.00 0.00 0.00 64.86 64.73 3ikt h ILE 17 Cb 0.41 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3ikt h ILE 17 CO 0.01 0.42 0.00 -0.07 0.00 0.00 0.00 178.15 178.51 3ikt h LEU 18 N 0.74 1.02 -1.03 1.44 3.38 -0.53 0.81 115.31 121.14 3ikt h LEU 18 Ca 0.12 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 3ikt h LEU 18 Cb 0.63 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3ikt h LEU 18 CO 0.04 1.08 0.18 -0.33 0.09 0.00 0.00 178.44 179.50 3ikt h GLU 19 N 0.93 0.88 -0.22 1.13 4.39 -0.93 -0.16 114.58 120.60 3ikt h GLU 19 Ca 0.17 -0.16 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 3ikt h GLU 19 Cb 0.55 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 3ikt h GLU 19 CO 0.03 0.76 -0.31 1.49 -1.16 0.00 0.00 179.01 179.82 3ikt h GLU 20 N 0.85 0.60 -0.89 2.33 4.57 -0.96 -1.44 114.58 119.64 3ikt h GLU 20 Ca 0.19 -0.35 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 3ikt h GLU 20 Cb 0.25 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 3ikt h GLU 20 CO -0.01 0.96 0.50 -0.07 -1.18 0.00 0.00 179.01 179.21 3ikt h LEU 21 N 0.29 1.10 -0.67 1.64 3.38 -0.52 -1.26 115.31 119.27 3ikt h LEU 21 Ca 0.02 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3ikt h LEU 21 Cb 0.89 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3ikt h LEU 21 CO 0.07 0.87 0.24 -0.08 0.09 0.00 0.00 178.44 179.63 3ikt h GLU 22 N 1.24 1.02 0.00 1.13 4.81 -0.95 -0.42 114.58 121.41 3ikt h GLU 22 Ca 0.32 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3ikt h GLU 22 Cb 0.00 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 3ikt h GLU 22 CO -0.05 0.87 -0.10 0.00 -0.73 0.00 0.00 179.01 179.00 3ikt h ALA 23 N 1.10 1.58 -0.26 2.92 0.00 -0.55 -0.54 119.26 123.51 3ikt h ALA 23 Ca 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ikt h ALA 23 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3ikt h ALA 23 CO -0.01 0.12 0.00 1.04 0.00 0.00 0.00 179.25 180.40 3ikt n GLN 24 N -4.04 1.88 -1.00 0.00 6.02 -0.54 -4.93 117.38 114.76 3ikt n GLN 24 Ca -0.02 -1.33 0.00 0.00 -0.01 0.00 0.00 57.00 55.63 3ikt n GLN 24 Cb 0.18 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 30.06 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 1.18 0.50 3.67 1.08 0.00 -0.21 -5.02 105.19 106.39 3ikt n GLY 25 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.01 4.70 -0.13 1.61 1.01 -0.26 -4.92 120.40 120.39 3ikt s VAL 26 Ca 0.00 2.02 0.19 0.00 0.00 0.00 0.00 61.98 64.20 3ikt s VAL 26 Cb 0.00 -4.30 -0.18 0.00 0.00 0.00 0.00 36.38 31.89 3ikt s VAL 26 CO 0.00 -0.12 0.65 1.57 0.00 0.00 0.00 175.10 177.20 3ikt n HIS 27 N 5.92 0.58 -4.45 5.22 -0.00 -1.26 -4.24 115.22 116.99 3ikt n HIS 27 Ca 0.11 0.19 -0.20 0.00 0.46 0.00 0.00 57.72 58.28 3ikt n HIS 27 Cb 0.47 -0.91 -0.14 0.00 -0.12 0.00 0.00 29.99 29.29 3ikt n HIS 27 CO 0.00 0.00 0.00 0.50 0.46 0.00 0.00 176.34 177.30 3ikt s ARG 28 N -3.07 0.93 0.05 1.57 3.52 -1.26 -0.41 118.95 120.28 3ikt s ARG 28 Ca -0.05 -0.54 0.01 0.00 -0.13 0.00 0.00 55.73 55.02 3ikt s ARG 28 Cb 0.10 -0.91 -0.00 0.00 -1.56 0.00 0.00 34.95 32.58 3ikt s ARG 28 CO 0.83 0.24 0.03 -2.37 -0.81 0.00 0.00 175.30 173.23 3ikt n THR 29 N 2.46 0.00 -4.04 4.11 5.66 0.80 -4.88 114.28 118.38 3ikt n THR 29 Ca -0.15 -0.32 -0.10 0.00 -3.05 0.00 0.00 64.05 60.43 3ikt n THR 29 Cb 0.55 0.15 -0.07 0.00 -1.55 0.00 0.00 70.33 69.41 3ikt n THR 29 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3ikt s SER 30 N -1.31 0.03 0.39 1.09 1.04 -1.26 -0.90 113.70 112.77 3ikt s SER 30 Ca 0.05 -1.02 0.10 0.00 0.48 0.00 0.00 55.95 55.56 3ikt s SER 30 Cb 0.00 0.47 0.78 0.00 0.10 0.00 0.00 66.02 67.36 3ikt s SER 30 CO 0.03 -0.95 1.90 0.77 0.98 0.00 0.00 173.24 175.97 3ikt h SER 31 N 2.48 0.17 -0.18 7.02 4.64 -1.96 -0.18 113.55 125.53 3ikt h SER 31 Ca -0.31 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 60.93 3ikt h SER 31 Cb 1.24 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 3ikt h SER 31 CO 0.46 0.38 -0.04 -0.08 -0.87 0.00 0.00 176.83 176.67 3ikt h GLU 32 N 0.17 0.35 -0.30 4.77 4.81 -1.94 -0.10 114.58 122.33 3ikt h GLU 32 Ca 0.03 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.06 3ikt h GLU 32 Cb 0.44 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3ikt h GLU 32 CO 0.03 0.61 -0.07 0.37 -0.73 0.00 0.00 179.01 179.21 3ikt h GLN 33 N 0.07 0.58 -0.66 1.92 4.15 -1.88 -1.46 115.11 117.84 3ikt h GLN 33 Ca 0.05 -0.22 0.04 0.00 0.77 0.00 0.00 58.65 59.29 3ikt h GLN 33 Cb 0.47 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.08 3ikt h GLN 33 CO 0.02 0.77 0.39 -0.07 -1.93 0.00 0.00 178.83 178.01 3ikt h LEU 34 N 0.35 0.61 -0.43 -2.39 3.38 -1.03 -1.26 115.31 114.54 3ikt h LEU 34 Ca 0.08 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3ikt h LEU 34 Cb 0.56 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3ikt h LEU 34 CO 0.03 0.41 0.21 1.23 0.09 0.00 0.00 178.44 180.41 3ikt h GLY 35 N 0.74 0.65 0.82 0.83 0.00 -0.85 -1.11 103.07 104.14 3ikt h GLY 35 Ca 0.28 -0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.32 3ikt h GLY 35 CO -0.14 0.30 0.37 -2.09 0.00 0.00 0.00 176.54 174.98 3ikt h GLU 36 N 0.55 0.69 0.00 4.80 4.57 -0.80 0.44 114.58 124.83 3ikt h GLU 36 Ca 0.15 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.19 3ikt h GLU 36 Cb 0.11 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 3ikt h GLU 36 CO -0.02 0.46 -0.47 -0.07 -1.18 0.00 0.00 179.01 177.73 3ikt h LEU 37 N 0.71 0.00 -1.19 1.64 3.38 -1.04 -2.99 115.31 115.82 3ikt h LEU 37 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3ikt h LEU 37 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3ikt h LEU 37 CO -0.13 0.47 -0.15 0.00 0.09 0.00 0.00 178.44 178.72 3ikt n ALA 38 N -2.32 2.85 -3.53 1.53 0.00 -0.44 -4.96 120.51 113.64 3ikt n ALA 38 Ca -0.00 -0.56 -0.21 0.00 0.00 0.00 0.00 53.44 52.67 3ikt n ALA 38 Cb 0.57 -0.96 0.08 0.00 0.00 0.00 0.00 19.45 19.13 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 0.35 -7.12 -4.16 0.00 6.02 0.13 -5.02 117.38 107.59 3ikt n GLN 39 Ca 0.14 0.82 -0.11 0.00 -0.01 0.00 0.00 57.00 57.85 3ikt n GLN 39 Cb 0.46 -5.84 -0.10 0.00 1.02 0.00 0.00 30.24 25.78 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 -3.35 0.05 0.63 5.09 -7.23 -0.00 -5.03 120.40 110.57 3ikt s VAL 40 Ca 0.28 -1.90 -0.12 0.00 -1.81 0.00 0.00 61.98 58.42 3ikt s VAL 40 Cb -0.12 -2.23 -0.03 0.00 0.56 0.00 0.00 36.38 34.56 3ikt s VAL 40 CO 0.74 -0.25 1.04 0.42 -0.31 0.00 0.00 175.10 176.74 3ikt s THR 41 N -4.09 4.34 0.33 5.32 -4.23 -1.26 -3.87 115.64 112.17 3ikt s THR 41 Ca 0.30 0.83 0.02 0.00 -1.18 0.00 0.00 61.69 61.66 3ikt s THR 41 Cb 0.07 -3.62 0.20 0.00 1.34 0.00 0.00 72.50 70.49 3ikt s THR 41 CO 0.06 -0.92 1.92 0.00 -0.54 0.00 0.00 174.62 175.14 3ikt h ALA 42 N -0.26 1.41 -0.25 3.99 0.00 -1.88 -2.33 119.26 119.94 3ikt h ALA 42 Ca -0.44 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.39 3ikt h ALA 42 Cb 1.20 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 3ikt h ALA 42 CO 0.59 0.45 -0.07 0.74 0.00 0.00 0.00 179.25 180.97 3ikt h PHE 43 N 0.73 -0.14 -0.76 0.00 0.04 -1.92 -2.02 116.94 112.87 3ikt h PHE 43 Ca 0.18 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.98 3ikt h PHE 43 Cb 0.13 0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.34 3ikt h PHE 43 CO 0.01 -0.11 0.50 0.37 -0.60 0.00 0.00 178.31 178.48 3ikt h GLN 44 N -0.00 1.01 0.20 1.51 5.75 -1.81 -1.26 115.11 120.50 3ikt h GLN 44 Ca 0.12 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3ikt h GLN 44 Cb 0.19 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 3ikt h GLN 44 CO -0.26 0.67 -0.15 0.28 -2.65 0.00 0.00 178.83 176.72 3ikt h VAL 45 N 1.04 0.68 -0.62 2.39 2.07 -1.00 0.68 116.25 121.50 3ikt h VAL 45 Ca 0.28 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.78 3ikt h VAL 45 Cb -0.11 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3ikt h VAL 45 CO -0.06 0.00 0.32 0.03 0.02 0.00 0.00 177.57 177.88 3ikt h ARG 46 N -0.35 0.86 -0.30 1.57 3.08 -1.23 -1.57 114.38 116.44 3ikt h ARG 46 Ca -0.01 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 3ikt h ARG 46 Cb 0.31 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3ikt h ARG 46 CO -0.00 0.65 -0.13 -0.22 -1.07 0.00 0.00 179.97 179.20 3ikt h LYS 47 N 0.87 0.61 -0.28 0.04 1.63 -0.92 -1.09 116.57 117.43 3ikt h LYS 47 Ca 0.22 -0.26 0.03 0.00 -0.85 0.00 0.00 60.65 59.79 3ikt h LYS 47 Cb 0.05 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.63 3ikt h LYS 47 CO -0.03 0.84 0.09 -0.44 -3.45 0.00 0.00 179.45 176.45 3ikt h ASP 48 N 0.37 0.09 -0.64 4.20 3.32 -0.40 -2.67 116.42 120.70 3ikt h ASP 48 Ca 0.07 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 3ikt h ASP 48 Cb 0.64 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 3ikt h ASP 48 CO 0.04 0.09 0.05 -0.07 -1.72 0.00 0.00 179.24 177.62 3ikt h LEU 49 N 0.21 1.06 -2.32 1.55 3.38 -1.26 -2.87 115.31 115.06 3ikt h LEU 49 Ca 0.13 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.84 3ikt h LEU 49 Cb 0.10 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3ikt h LEU 49 CO -0.14 1.08 0.11 0.77 0.09 0.00 0.00 178.44 180.36 3ikt h SER 50 N 1.01 0.00 -0.07 -0.43 4.64 -0.86 -0.06 113.55 117.78 3ikt h SER 50 Ca 0.19 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.53 3ikt h SER 50 Cb 0.51 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3ikt h SER 50 CO 0.02 0.00 0.09 1.88 -0.87 0.00 0.00 176.83 177.95 3ikt h TYR 51 N 0.00 0.00 0.00 4.77 0.99 -1.27 -3.18 116.97 118.28 3ikt h TYR 51 Ca 0.05 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.71 3ikt h TYR 51 Cb 0.28 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.99 3ikt h TYR 51 CO 0.00 0.00 -1.28 1.19 -0.00 0.00 0.00 178.16 178.07 3ikt n PHE 52 N -3.69 0.00 -1.25 4.88 3.01 -0.16 -4.77 117.46 115.47 3ikt n PHE 52 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 3ikt n PHE 52 Cb 0.18 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 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 2.73 -1.57 3.13 1.37 0.00 -0.49 -5.07 105.19 105.28 3ikt n GLY 53 Ca -0.06 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.50 5.35 0.00 1.61 0.01 -1.26 -3.84 113.70 114.07 3ikt s SER 54 Ca 0.00 -2.29 0.16 0.00 1.31 0.00 0.00 55.95 55.14 3ikt s SER 54 Cb 0.00 -1.87 0.06 0.00 0.21 0.00 0.00 66.02 64.42 3ikt s SER 54 CO 0.00 -0.51 0.93 -1.22 0.41 0.00 0.00 173.24 172.85 3ikt n TYR 55 N 4.28 0.00 -2.80 2.43 4.02 -1.26 -5.00 117.16 118.82 3ikt n TYR 55 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.72 3ikt n TYR 55 Cb 0.40 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.80 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 1.05 1.35 3.02 2.72 0.00 -1.26 -4.70 105.19 107.38 3ikt n GLY 56 Ca 0.08 -2.12 -0.31 0.00 0.00 0.00 0.00 46.02 43.67 3ikt n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ikt s THR 57 N -2.18 1.79 0.29 2.61 2.01 0.28 -5.01 115.64 115.43 3ikt s THR 57 Ca 0.52 -1.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 3ikt s THR 57 Cb -0.04 -1.86 -0.14 0.00 0.01 0.00 0.00 72.50 70.48 3ikt s THR 57 CO 0.33 0.15 1.14 0.54 -0.69 0.00 0.00 174.62 176.09 3ikt n ARG 58 N 4.62 1.62 -0.74 4.92 1.74 -1.26 -1.12 116.66 126.43 3ikt n ARG 58 Ca -0.15 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 3ikt n ARG 58 Cb 0.46 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 3ikt n ARG 58 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ikt n GLY 59 N 1.23 0.41 1.18 -0.13 0.00 -1.26 -4.71 105.19 101.91 3ikt n GLY 59 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3ikt n GLY 59 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ikt n VAL 60 N -2.04 0.74 0.00 1.61 0.31 -0.35 -5.17 118.33 113.43 3ikt n VAL 60 Ca 0.00 0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.57 3ikt n VAL 60 Cb 0.03 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 3ikt n VAL 60 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ikt n GLY 61 N 3.07 0.63 3.29 2.92 0.00 -0.28 -4.92 105.19 109.90 3ikt n GLY 61 Ca 0.00 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 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 -3.27 2.29 -0.20 1.61 1.51 -0.08 -0.56 117.35 118.64 3ikt s TYR 62 Ca 0.00 -0.47 -0.28 0.00 -1.01 0.00 0.00 57.07 55.32 3ikt s TYR 62 Cb 0.00 -1.48 0.00 0.00 -0.11 0.00 0.00 41.96 40.37 3ikt s TYR 62 CO 0.00 -0.06 0.97 0.99 -1.11 0.00 0.00 175.55 176.34 3ikt s THR 63 N -0.53 4.75 0.16 -0.71 2.01 -1.26 -0.14 115.64 119.91 3ikt s THR 63 Ca 0.08 1.90 -0.20 0.00 0.31 0.00 0.00 61.69 63.77 3ikt s THR 63 Cb -0.10 -4.25 0.06 0.00 0.01 0.00 0.00 72.50 68.21 3ikt s THR 63 CO -0.00 -0.10 1.64 0.58 -0.69 0.00 0.00 174.62 176.04 3ikt h VAL 64 N 5.36 0.46 -0.50 3.82 2.07 -1.02 -1.39 116.25 125.05 3ikt h VAL 64 Ca -0.23 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 3ikt h VAL 64 Cb 1.09 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3ikt h VAL 64 CO 0.92 0.00 0.30 -0.65 0.02 0.00 0.00 177.57 178.17 3ikt h PRO 65 N -0.16 0.67 0.13 1.57 0.11 -1.89 -1.41 132.00 131.03 3ikt h PRO 65 Ca 0.16 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 3ikt h PRO 65 Cb 0.40 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.37 3ikt h PRO 65 CO -0.41 0.47 -0.06 0.28 -0.21 0.00 0.00 178.00 178.07 3ikt h VAL 66 N 0.69 1.03 -0.80 3.15 2.07 -1.82 -2.18 116.25 118.39 3ikt h VAL 66 Ca 0.18 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 3ikt h VAL 66 Cb -0.03 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 3ikt h VAL 66 CO -0.03 0.24 0.42 0.25 0.02 0.00 0.00 177.57 178.46 3ikt h LEU 67 N -0.74 1.00 -0.07 2.57 5.85 -1.20 -0.71 115.31 122.01 3ikt h LEU 67 Ca -0.02 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.63 3ikt h LEU 67 Cb 0.53 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3ikt h LEU 67 CO 0.03 0.82 -0.07 0.50 -0.34 0.00 0.00 178.44 179.37 3ikt h LYS 68 N 1.12 -0.09 -0.49 1.25 3.64 -1.30 0.11 116.57 120.80 3ikt h LYS 68 Ca 0.28 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3ikt h LYS 68 Cb 0.06 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3ikt h LYS 68 CO -0.04 -0.06 0.30 -0.09 -2.27 0.00 0.00 179.45 177.28 3ikt h ARG 69 N -0.10 0.67 -0.80 1.90 2.43 -0.87 -1.44 114.38 116.18 3ikt h ARG 69 Ca 0.06 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3ikt h ARG 69 Cb 0.18 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 3ikt h ARG 69 CO -0.13 0.49 0.44 0.93 -1.51 0.00 0.00 179.97 180.19 3ikt h GLU 70 N 0.66 1.11 -0.31 0.20 4.39 -0.73 -1.86 114.58 118.04 3ikt h GLU 70 Ca 0.18 -0.13 -0.14 0.00 0.34 0.00 0.00 59.36 59.61 3ikt h GLU 70 Cb -0.01 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.41 3ikt h GLU 70 CO -0.03 0.82 -0.36 -0.07 -1.16 0.00 0.00 179.01 178.20 3ikt h LEU 71 N 1.10 0.76 -1.33 1.33 3.38 -0.58 -1.44 115.31 118.53 3ikt h LEU 71 Ca 0.28 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3ikt h LEU 71 Cb 0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3ikt h LEU 71 CO -0.05 1.04 -0.12 0.03 0.09 0.00 0.00 178.44 179.44 3ikt h ARG 72 N 0.60 0.30 0.04 1.13 3.08 -1.00 -1.06 114.38 117.47 3ikt h ARG 72 Ca 0.06 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3ikt h ARG 72 Cb 0.89 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.90 3ikt h ARG 72 CO 0.08 0.43 -0.02 1.25 -1.07 0.00 0.00 179.97 180.64 3ikt h HIS 73 N 0.29 -0.05 -0.73 3.04 2.76 -0.95 0.17 115.15 119.68 3ikt h HIS 73 Ca 0.06 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.28 3ikt h HIS 73 Cb 0.39 0.02 -0.05 0.00 1.55 0.00 0.00 27.41 29.32 3ikt h HIS 73 CO 0.01 0.38 0.43 0.82 -1.30 0.00 0.00 177.93 178.27 3ikt h ILE 74 N -0.50 1.02 0.00 6.26 2.04 -1.04 -2.41 117.51 122.89 3ikt h ILE 74 Ca -0.01 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3ikt h ILE 74 Cb 0.45 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3ikt h ILE 74 CO 0.01 0.15 0.00 0.18 0.00 0.00 0.00 178.15 178.49 3ikt n LEU 75 N -4.71 0.34 0.00 1.44 4.32 -0.42 -4.89 117.00 113.07 3ikt n LEU 75 Ca 0.09 0.56 0.00 0.00 -0.02 0.00 0.00 56.01 56.64 3ikt n LEU 75 Cb 0.15 -0.49 0.00 0.00 -1.62 0.00 0.00 43.42 41.46 3ikt n LEU 75 CO 0.31 -0.28 0.00 0.61 -1.22 0.00 0.00 177.39 176.80 3ikt n GLY 76 N 0.51 0.49 0.15 -0.72 0.00 -0.90 -4.93 105.19 99.79 3ikt n GLY 76 Ca 0.04 -0.91 0.13 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 0.75 -1.43 0.99 4.77 0.56 -4.04 117.00 118.60 3ikt n LEU 77 Ca 0.00 -0.11 -0.07 0.00 -0.03 0.00 0.00 56.01 55.80 3ikt n LEU 77 Cb 0.10 -0.18 0.04 0.00 -2.33 0.00 0.00 43.42 41.04 3ikt n LEU 77 CO 0.00 0.15 0.83 -0.46 -1.33 0.00 0.00 177.39 176.57 3ikt n ASN 78 N -0.95 4.06 -3.13 -1.43 6.94 -1.18 -4.65 115.26 114.92 3ikt n ASN 78 Ca 0.11 -2.51 -0.14 0.00 -0.02 0.00 0.00 54.58 52.02 3ikt n ASN 78 Cb 0.33 -0.75 -0.03 0.00 -2.36 0.00 0.00 39.78 36.98 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 -0.86 2.00 -0.36 -3.83 1.70 -1.26 -5.08 118.95 111.27 3ikt s ARG 79 Ca 0.15 -1.74 0.04 0.00 -0.47 0.00 0.00 55.73 53.71 3ikt s ARG 79 Cb 0.12 0.48 0.10 0.00 -0.57 0.00 0.00 34.95 35.08 3ikt s ARG 79 CO 0.02 -0.85 0.08 0.21 -1.08 0.00 0.00 175.30 173.67 3ikt s LYS 80 N -2.85 1.55 0.43 3.89 2.20 -1.26 -4.23 119.74 119.47 3ikt s LYS 80 Ca 0.28 -1.93 -0.23 0.00 -0.36 0.00 0.00 55.97 53.73 3ikt s LYS 80 Cb -0.01 -3.24 -0.09 0.00 -1.51 0.00 0.00 37.83 32.98 3ikt s LYS 80 CO 0.20 -0.96 1.06 -1.58 -0.36 0.00 0.00 175.35 173.70 3ikt s TRP 81 N 0.83 3.13 -0.23 4.03 0.52 0.56 -4.90 118.94 122.88 3ikt s TRP 81 Ca 0.11 1.61 -0.12 0.00 0.02 0.00 0.00 56.10 57.72 3ikt s TRP 81 Cb -0.20 -3.14 -0.05 0.00 -1.15 0.00 0.00 33.47 28.94 3ikt s TRP 81 CO -0.07 -0.79 0.25 0.20 0.02 0.00 0.00 176.95 176.55 3ikt s GLY 82 N -1.68 2.01 0.28 0.98 0.00 -1.26 -1.32 107.32 106.34 3ikt s GLY 82 Ca 0.62 -0.78 0.09 0.00 0.00 0.00 0.00 44.72 44.64 3ikt s GLY 82 CO 0.26 0.57 -0.11 1.08 0.00 0.00 0.00 173.10 174.89 3ikt s LEU 83 N 1.21 2.58 0.08 0.66 1.02 0.24 -0.56 118.68 123.91 3ikt s LEU 83 Ca 0.12 -1.13 -0.08 0.00 0.02 0.00 0.00 54.13 53.05 3ikt s LEU 83 Cb -0.14 -0.83 -0.00 0.00 0.02 0.00 0.00 46.19 45.24 3ikt s LEU 83 CO 0.06 -0.20 0.18 0.00 0.02 0.00 0.00 176.35 176.41 3ikt s ILE 85 N -3.68 2.82 -0.30 0.00 1.01 -0.02 -0.56 121.20 120.46 3ikt s ILE 85 Ca 0.04 -0.72 -0.02 0.00 0.00 0.00 0.00 60.65 59.95 3ikt s ILE 85 Cb 0.04 -2.20 0.05 0.00 0.01 0.00 0.00 42.46 40.36 3ikt s ILE 85 CO -0.10 0.51 0.01 -0.69 0.00 0.00 0.00 174.94 174.66 3ikt s VAL 86 N 0.79 3.01 0.00 2.92 1.01 -0.47 -0.17 120.40 127.49 3ikt s VAL 86 Ca -0.05 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 60.53 3ikt s VAL 86 Cb -0.15 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.49 3ikt s VAL 86 CO 0.01 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.59 3ikt n GLY 87 N 4.62 0.88 1.87 4.51 0.00 -0.42 -0.81 105.19 115.84 3ikt n GLY 87 Ca -0.13 -0.61 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 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 1.66 0.00 1.61 0.00 -1.25 -3.79 117.12 115.35 3ikt n MET 88 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 57.70 56.75 3ikt n MET 88 Cb 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 33.22 31.64 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 1.46 0.06 0.24 3.03 0.00 -1.26 -4.38 105.19 104.34 3ikt n GLY 89 Ca 0.26 -1.35 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 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 0.72 -0.04 1.61 3.08 -1.94 -1.23 114.38 116.58 3ikt h ARG 90 Ca 0.00 -0.37 -0.03 0.00 0.07 0.00 0.00 59.98 59.65 3ikt h ARG 90 Cb 0.00 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3ikt h ARG 90 CO 0.00 0.99 -0.09 1.25 -1.07 0.00 0.00 179.97 181.04 3ikt h LEU 91 N 0.59 0.16 -0.81 3.04 5.85 -1.91 -1.46 115.31 120.76 3ikt h LEU 91 Ca 0.05 -0.58 0.01 0.00 0.84 0.00 0.00 57.88 58.21 3ikt h LEU 91 Cb 0.93 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 3ikt h LEU 91 CO 0.08 0.70 0.53 1.23 -0.34 0.00 0.00 178.44 180.65 3ikt h GLY 92 N -0.39 1.15 1.58 3.75 0.00 -1.65 0.12 103.07 107.64 3ikt h GLY 92 Ca 0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 3ikt h GLY 92 CO 0.02 0.40 -0.25 1.76 0.00 0.00 0.00 176.54 178.47 3ikt h SER 93 N 1.08 0.49 -0.46 0.19 0.02 -1.24 -1.80 113.55 111.82 3ikt h SER 93 Ca 0.31 -0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 60.97 3ikt h SER 93 Cb -0.09 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 3ikt h SER 93 CO -0.08 0.73 -0.19 0.00 -1.14 0.00 0.00 176.83 176.16 3ikt h ALA 94 N 1.31 0.65 -0.69 3.77 0.00 -0.32 -3.12 119.26 120.86 3ikt h ALA 94 Ca 0.06 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 3ikt h ALA 94 Cb 0.67 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3ikt h ALA 94 CO 0.05 0.62 0.16 -0.07 0.00 0.00 0.00 179.25 180.00 3ikt h LEU 95 N 0.79 1.05 -2.28 0.00 3.38 -0.46 -1.75 115.31 116.04 3ikt h LEU 95 Ca 0.11 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3ikt h LEU 95 Cb 0.76 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3ikt h LEU 95 CO 0.06 1.02 0.02 0.00 0.09 0.00 0.00 178.44 179.63 3ikt h ALA 96 N 1.07 1.73 -0.00 1.53 0.00 -1.29 -0.54 119.26 121.77 3ikt h ALA 96 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ikt h ALA 96 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3ikt h ALA 96 CO 0.00 -0.03 -0.64 -0.25 0.00 0.00 0.00 179.25 178.33 3ikt n ASP 97 N -4.10 0.92 -4.63 0.00 10.43 -0.91 -4.74 116.55 113.50 3ikt n ASP 97 Ca -0.02 -0.74 -0.43 0.00 2.57 0.00 0.00 54.79 56.17 3ikt n ASP 97 Cb 0.11 0.53 -0.03 0.00 1.84 0.00 0.00 41.12 43.57 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 -2.88 1.36 -0.95 1.24 5.04 -0.21 -4.84 117.35 116.11 3ikt s TYR 98 Ca 0.13 0.08 0.04 0.00 -2.44 0.00 0.00 57.07 54.87 3ikt s TYR 98 Cb 0.17 -4.08 0.19 0.00 0.35 0.00 0.00 41.96 38.59 3ikt s TYR 98 CO 0.72 -4.60 0.83 -0.35 -1.34 0.00 0.00 175.55 170.82 3ikt n PRO 99 N 8.04 1.87 -0.22 4.97 -0.04 -1.26 -4.20 135.00 144.16 3ikt n PRO 99 Ca 0.24 -0.74 0.07 0.00 -0.04 0.00 0.00 63.50 63.03 3ikt n PRO 99 Cb 0.43 -1.63 0.16 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.22 3.79 0.18 0.55 0.00 -1.26 -4.64 105.19 104.03 3ikt n GLY 100 Ca 0.07 -0.74 0.04 0.00 0.00 0.00 0.00 46.02 45.38 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 1.10 0.00 -0.86 1.61 -1.00 -1.88 -3.49 116.94 112.41 3ikt h PHE 101 Ca 0.00 0.00 0.07 0.00 2.81 0.00 0.00 57.97 60.85 3ikt h PHE 101 Cb 1.01 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.55 3ikt h PHE 101 CO 0.23 0.42 -0.10 0.41 -1.61 0.00 0.00 178.31 177.66 3ikt n GLY 102 N -0.01 -1.99 0.12 -1.45 0.00 -1.26 -3.89 105.19 96.71 3ikt n GLY 102 Ca -0.01 -1.37 0.12 0.00 0.00 0.00 0.00 46.02 44.76 3ikt n GLY 102 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ikt n GLU 103 N -1.46 0.20 0.11 1.61 1.02 -1.26 -3.35 120.64 117.52 3ikt n GLU 103 Ca 0.00 0.37 0.12 0.00 -0.02 0.00 0.00 57.16 57.63 3ikt n GLU 103 Cb 0.12 -1.84 0.23 0.00 -0.02 0.00 0.00 31.44 29.93 3ikt n GLU 103 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 3ikt h SER 104 N 0.00 0.00 -3.22 1.62 0.02 -1.74 -3.42 113.55 106.81 3ikt h SER 104 Ca 0.00 -0.07 -0.49 0.00 -0.84 0.00 0.00 61.79 60.39 3ikt h SER 104 Cb 0.45 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 62.62 3ikt h SER 104 CO 0.00 0.03 -0.79 -0.36 -1.14 0.00 0.00 176.83 174.57 3ikt s PHE 105 N -3.18 1.20 -0.14 3.45 0.40 -1.21 -0.32 117.98 118.18 3ikt s PHE 105 Ca 0.07 -0.53 0.02 0.00 -0.60 0.00 0.00 56.93 55.89 3ikt s PHE 105 Cb 0.11 -1.07 0.01 0.00 0.51 0.00 0.00 43.02 42.58 3ikt s PHE 105 CO 0.68 -0.44 -0.20 -2.00 0.70 0.00 0.00 175.22 173.96 3ikt s GLU 106 N 1.72 2.85 -0.01 0.44 2.12 -0.43 -4.54 118.70 120.84 3ikt s GLU 106 Ca 0.04 -0.79 -0.30 0.00 0.36 0.00 0.00 54.97 54.27 3ikt s GLU 106 Cb -0.13 -2.33 -0.04 0.00 0.26 0.00 0.00 34.13 31.89 3ikt s GLU 106 CO -0.07 -0.04 1.20 -0.51 -0.54 0.00 0.00 175.26 175.31 3ikt s LEU 107 N 0.88 4.31 0.00 2.70 1.43 -1.26 -0.59 118.68 126.15 3ikt s LEU 107 Ca -0.06 1.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.93 3ikt s LEU 107 Cb -0.15 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.50 3ikt s LEU 107 CO -0.03 -0.54 0.01 0.54 0.23 0.00 0.00 176.35 176.56 3ikt n ARG 108 N 4.75 4.92 -3.68 1.70 1.74 0.15 -4.90 116.66 121.34 3ikt n ARG 108 Ca 0.10 -0.01 -0.15 0.00 -0.77 0.00 0.00 57.85 57.03 3ikt n ARG 108 Cb 0.46 -0.37 -0.08 0.00 -1.02 0.00 0.00 32.46 31.45 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 -0.71 -0.30 -0.15 -0.13 0.00 -1.18 -5.01 107.32 99.84 3ikt s GLY 109 Ca 0.00 0.72 -0.04 0.00 0.00 0.00 0.00 44.72 45.41 3ikt s GLY 109 CO 0.00 0.47 0.06 -1.36 0.00 0.00 0.00 173.10 172.27 3ikt s PHE 110 N -1.14 0.48 0.25 1.90 0.40 -1.26 -0.84 117.98 117.76 3ikt s PHE 110 Ca -0.12 -0.38 0.11 0.00 -0.60 0.00 0.00 56.93 55.95 3ikt s PHE 110 Cb -0.03 -0.77 -0.05 0.00 0.51 0.00 0.00 43.02 42.68 3ikt s PHE 110 CO 0.06 -0.47 -0.13 -0.06 0.70 0.00 0.00 175.22 175.32 3ikt s PHE 111 N 2.04 2.47 0.03 0.36 0.40 0.76 -0.75 117.98 123.29 3ikt s PHE 111 Ca 0.02 -0.28 -0.27 0.00 -0.60 0.00 0.00 56.93 55.80 3ikt s PHE 111 Cb -0.15 -1.12 0.09 0.00 0.51 0.00 0.00 43.02 42.35 3ikt s PHE 111 CO -0.07 0.63 1.23 0.34 0.70 0.00 0.00 175.22 178.05 3ikt s ASP 112 N -3.35 0.01 0.00 1.36 3.68 -0.62 -1.31 116.67 116.44 3ikt s ASP 112 Ca 0.28 -0.30 0.00 0.00 2.13 0.00 0.00 52.55 54.66 3ikt s ASP 112 Cb -0.06 0.22 0.00 0.00 -1.45 0.00 0.00 42.92 41.63 3ikt s ASP 112 CO 0.16 -0.44 0.31 1.33 0.13 0.00 0.00 175.17 176.66 3ikt n VAL 113 N -0.86 0.00 -2.60 1.11 0.24 -1.26 -1.67 118.33 113.29 3ikt n VAL 113 Ca 0.02 -0.33 -0.43 0.00 -2.04 0.00 0.00 64.34 61.57 3ikt n VAL 113 Cb 0.59 1.32 -0.02 0.00 -1.47 0.00 0.00 33.84 34.25 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 -0.05 7.12 0.32 -1.34 -1.08 -1.26 -4.93 116.67 115.45 3ikt s ASP 114 Ca 0.00 1.56 0.06 0.00 -0.52 0.00 0.00 52.55 53.65 3ikt s ASP 114 Cb 0.00 -2.55 0.73 0.00 -1.46 0.00 0.00 42.92 39.65 3ikt s ASP 114 CO 0.00 -0.59 1.82 -0.65 0.52 0.00 0.00 175.17 176.27 3ikt h PRO 115 N 7.44 0.76 -0.06 4.34 0.11 -1.96 0.28 132.00 142.91 3ikt h PRO 115 Ca -0.27 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 3ikt h PRO 115 Cb 1.11 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 3ikt h PRO 115 CO 0.92 0.50 0.03 0.93 -0.21 0.00 0.00 178.00 180.17 3ikt h GLU 116 N 0.79 0.09 0.31 1.05 4.39 -2.04 -3.32 114.58 115.84 3ikt h GLU 116 Ca 0.52 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.19 3ikt h GLU 116 Cb 0.77 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 3ikt h GLU 116 CO -0.29 0.17 -0.15 0.87 -1.16 0.00 0.00 179.01 178.45 3ikt h LYS 117 N -0.02 -0.41 -6.12 2.33 1.57 -1.68 -3.43 116.57 108.81 3ikt h LYS 117 Ca 0.02 0.03 -0.74 0.00 -1.87 0.00 0.00 60.65 58.09 3ikt h LYS 117 Cb 0.12 0.09 0.05 0.00 0.08 0.00 0.00 32.23 32.57 3ikt h LYS 117 CO -0.00 -0.12 0.20 0.28 -0.57 0.00 0.00 179.45 179.24 3ikt n VAL 118 N -5.06 0.10 0.00 0.50 0.31 0.87 -0.52 118.33 114.53 3ikt n VAL 118 Ca -0.08 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 3ikt n VAL 118 Cb 0.24 -0.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 3ikt n VAL 118 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ikt n GLY 119 N 1.92 1.92 3.73 2.92 0.00 -0.16 -4.89 105.19 110.62 3ikt n GLY 119 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.84 4.47 0.06 1.61 3.52 0.33 -4.69 118.95 123.41 3ikt s ARG 120 Ca 0.00 1.81 -0.30 0.00 -0.13 0.00 0.00 55.73 57.11 3ikt s ARG 120 Cb 0.00 -3.30 -0.05 0.00 -1.56 0.00 0.00 34.95 30.05 3ikt s ARG 120 CO 0.00 -0.16 1.03 -1.25 -0.81 0.00 0.00 175.30 174.11 3ikt s PRO 121 N 0.41 4.58 0.27 5.12 0.04 -1.26 0.06 135.00 144.22 3ikt s PRO 121 Ca 0.56 1.54 0.04 0.00 0.04 0.00 0.00 61.00 63.17 3ikt s PRO 121 Cb -0.31 -3.39 -0.06 0.00 0.04 0.00 0.00 34.50 30.78 3ikt s PRO 121 CO 0.33 -0.01 0.02 0.14 0.04 0.00 0.00 177.00 177.52 3ikt s VAL 122 N 0.59 1.13 -0.49 -0.36 -7.23 0.15 -4.91 120.40 109.28 3ikt s VAL 122 Ca 0.52 -2.03 -0.47 0.00 -1.81 0.00 0.00 61.98 58.19 3ikt s VAL 122 Cb -0.24 -2.54 -0.20 0.00 0.56 0.00 0.00 36.38 33.95 3ikt s VAL 122 CO 0.30 -0.18 1.61 -1.14 -0.31 0.00 0.00 175.10 175.38 3ikt n ARG 123 N -0.54 0.06 -3.14 4.82 3.00 -1.26 0.11 116.66 119.71 3ikt n ARG 123 Ca -0.04 0.02 -0.23 0.00 -0.00 0.00 0.00 57.85 57.61 3ikt n ARG 123 Cb 0.65 -1.53 0.03 0.00 0.00 0.00 0.00 32.46 31.61 3ikt n ARG 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3ikt n GLY 124 N 4.05 -0.52 0.00 5.14 0.00 -1.26 -4.86 105.19 107.74 3ikt n GLY 124 Ca 0.31 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.60 3.48 -0.02 0.00 0.12 -4.91 105.19 101.79 3ikt n GLY 125 Ca -0.08 -0.94 -0.07 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.00 -0.26 0.31 1.61 0.11 -1.26 -0.67 120.40 117.23 3ikt s VAL 126 Ca 0.00 0.05 -0.28 0.00 -2.93 0.00 0.00 61.98 58.82 3ikt s VAL 126 Cb 0.00 -0.83 -0.13 0.00 -1.53 0.00 0.00 36.38 33.88 3ikt s VAL 126 CO 0.00 0.02 1.17 -0.38 -3.33 0.00 0.00 175.10 172.59 3ikt n ILE 127 N 4.64 1.89 -4.41 7.04 5.41 0.11 -4.64 119.36 129.40 3ikt n ILE 127 Ca -0.18 -0.47 -0.21 0.00 1.00 0.00 0.00 62.75 62.89 3ikt n ILE 127 Cb 0.55 -1.30 -0.10 0.00 -0.71 0.00 0.00 39.64 38.09 3ikt n ILE 127 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3ikt s GLU 128 N -1.59 1.64 0.28 0.38 2.02 0.07 -0.99 118.70 120.52 3ikt s GLU 128 Ca 0.58 -1.93 -0.18 0.00 0.02 0.00 0.00 54.97 53.46 3ikt s GLU 128 Cb -0.64 -0.50 -0.09 0.00 0.10 0.00 0.00 34.13 33.00 3ikt s GLU 128 CO 0.60 -0.33 0.76 -1.58 0.02 0.00 0.00 175.26 174.72 3ikt s HIS 129 N -3.46 3.53 0.33 1.61 5.65 -1.26 -1.59 115.29 120.10 3ikt s HIS 129 Ca 0.34 1.37 0.04 0.00 0.25 0.00 0.00 55.06 57.06 3ikt s HIS 129 Cb 0.06 -2.62 0.66 0.00 -1.18 0.00 0.00 32.58 29.50 3ikt s HIS 129 CO 0.15 0.21 1.90 -0.39 -0.65 0.00 0.00 174.74 175.96 3ikt h VAL 130 N 2.40 0.97 0.00 0.89 -1.51 -1.67 -2.17 116.25 115.16 3ikt h VAL 130 Ca -0.48 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 3ikt h VAL 130 Cb 1.19 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 3ikt h VAL 130 CO 0.65 0.16 0.03 -0.90 -1.23 0.00 0.00 177.57 176.28 3ikt n ASP 131 N -4.52 0.00 -0.60 4.19 5.68 -1.26 -0.05 116.55 119.99 3ikt n ASP 131 Ca 0.15 0.37 0.09 0.00 -0.50 0.00 0.00 54.79 54.91 3ikt n ASP 131 Cb 0.31 -0.37 0.31 0.00 -1.14 0.00 0.00 41.12 40.23 3ikt n ASP 131 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3ikt n LEU 132 N -1.37 1.79 -0.05 -2.12 4.77 -0.82 -4.16 117.00 115.04 3ikt n LEU 132 Ca 0.00 -0.79 -0.11 0.00 -0.03 0.00 0.00 56.01 55.08 3ikt n LEU 132 Cb 0.03 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 40.93 3ikt n LEU 132 CO 0.00 0.39 0.81 -0.07 -1.33 0.00 0.00 177.39 177.20 3ikt h LEU 133 N 2.25 0.28 -2.38 2.23 3.38 -0.66 -2.46 115.31 117.93 3ikt h LEU 133 Ca 0.00 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.77 3ikt h LEU 133 Cb 0.50 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3ikt h LEU 133 CO 0.00 0.43 0.13 -0.65 0.09 0.00 0.00 178.44 178.43 3ikt h PRO 134 N 0.11 0.00 -0.46 1.13 0.11 -1.80 0.33 132.00 131.42 3ikt h PRO 134 Ca 0.06 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.96 3ikt h PRO 134 Cb 0.26 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.24 3ikt h PRO 134 CO 0.00 0.00 0.06 1.04 -0.21 0.00 0.00 178.00 178.89 3ikt n GLN 135 N -3.66 2.15 0.00 1.05 6.02 -1.00 -4.48 117.38 117.46 3ikt n GLN 135 Ca -0.01 -3.11 0.00 0.00 -0.01 0.00 0.00 57.00 53.88 3ikt n GLN 135 Cb 0.22 -1.90 0.00 0.00 1.02 0.00 0.00 30.24 29.59 3ikt n GLN 135 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3ikt n ARG 136 N -0.99 1.57 0.03 -1.09 5.12 -0.35 -5.01 116.66 115.93 3ikt n ARG 136 Ca 0.36 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 56.26 3ikt n ARG 136 Cb 1.13 -0.27 -0.01 0.00 -1.16 0.00 0.00 32.46 32.15 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 0.00 -1.01 1.55 2.07 -0.64 -3.38 116.25 114.83 3ikt h VAL 137 Ca 0.00 -0.63 -0.83 0.00 0.82 0.00 0.00 66.70 66.06 3ikt h VAL 137 Cb 0.00 0.00 0.03 0.00 -1.52 0.00 0.00 31.29 29.80 3ikt h VAL 137 CO 0.00 0.00 0.34 -2.65 0.02 0.00 0.00 177.57 175.28 3ikt n PRO 138 N -4.16 0.03 -0.32 1.57 -0.02 -1.26 -0.65 135.00 130.19 3ikt n PRO 138 Ca -0.02 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3ikt n PRO 138 Cb 0.06 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 2.59 0.70 0.00 -1.23 0.00 -1.26 -4.65 105.19 101.33 3ikt n GLY 139 Ca 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.00 1.91 -3.93 1.61 1.74 0.11 -5.02 116.66 111.08 3ikt n ARG 140 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 3ikt n ARG 140 Cb 0.00 -1.01 -0.17 0.00 -1.02 0.00 0.00 32.46 30.27 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 -2.01 1.15 -0.21 0.55 1.01 0.17 -4.30 121.20 117.57 3ikt s ILE 141 Ca -0.00 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.30 3ikt s ILE 141 Cb 0.00 -1.16 -0.21 0.00 0.01 0.00 0.00 42.46 41.10 3ikt s ILE 141 CO 0.01 0.37 -0.02 -0.62 0.00 0.00 0.00 174.94 174.68 3ikt n GLU 142 N 4.90 0.68 -5.06 2.79 4.71 0.27 -4.55 120.64 124.38 3ikt n GLU 142 Ca -0.13 0.15 -0.32 0.00 -0.01 0.00 0.00 57.16 56.84 3ikt n GLU 142 Cb 0.50 -1.57 -0.15 0.00 -1.01 0.00 0.00 31.44 29.21 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 -2.53 2.53 -0.10 -3.67 1.01 -0.79 0.29 121.20 117.94 3ikt s ILE 143 Ca -0.26 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.52 3ikt s ILE 143 Cb 0.08 -1.98 -0.02 0.00 0.01 0.00 0.00 42.46 40.56 3ikt s ILE 143 CO 0.69 0.56 -0.15 0.00 0.00 0.00 0.00 174.94 176.04 3ikt s ALA 144 N -0.13 2.58 -0.49 9.38 0.00 0.36 -1.98 121.76 131.47 3ikt s ALA 144 Ca -0.03 -0.93 -0.20 0.00 0.00 0.00 0.00 51.96 50.81 3ikt s ALA 144 Cb -0.14 -1.09 0.05 0.00 0.00 0.00 0.00 23.12 21.94 3ikt s ALA 144 CO 0.04 0.35 0.63 -0.51 0.00 0.00 0.00 175.76 176.27 3ikt s LEU 145 N 0.01 4.81 -0.53 0.00 1.43 0.27 -0.79 118.68 123.88 3ikt s LEU 145 Ca -0.05 -0.74 -0.22 0.00 -1.03 0.00 0.00 54.13 52.09 3ikt s LEU 145 Cb -0.14 -2.52 0.04 0.00 0.03 0.00 0.00 46.19 43.60 3ikt s LEU 145 CO 0.04 -0.87 0.83 -0.22 0.23 0.00 0.00 176.35 176.36 3ikt s LEU 146 N 2.71 4.38 -0.49 1.79 2.96 -0.19 -1.36 118.68 128.48 3ikt s LEU 146 Ca 0.17 -0.50 0.07 0.00 -0.22 0.00 0.00 54.13 53.65 3ikt s LEU 146 Cb -0.18 -2.72 0.37 0.00 0.50 0.00 0.00 46.19 44.16 3ikt s LEU 146 CO 0.14 -1.09 0.95 0.35 -1.32 0.00 0.00 176.35 175.38 3ikt n THR 147 N 6.01 2.22 -4.01 3.68 -2.24 0.01 -2.09 114.28 117.86 3ikt n THR 147 Ca -0.01 -5.06 -0.23 0.00 -2.27 0.00 0.00 64.05 56.48 3ikt n THR 147 Cb 0.47 -1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 67.62 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 -4.31 2.68 0.70 2.28 -7.23 -1.24 -4.33 120.40 108.95 3ikt s VAL 148 Ca 0.46 -1.63 -0.16 0.00 -1.81 0.00 0.00 61.98 58.83 3ikt s VAL 148 Cb 0.34 -2.99 0.01 0.00 0.56 0.00 0.00 36.38 34.30 3ikt s VAL 148 CO -0.13 -0.08 1.18 -2.65 -0.31 0.00 0.00 175.10 173.11 3ikt n PRO 149 N -1.26 0.73 -0.30 4.82 -0.02 -1.26 -4.68 135.00 133.02 3ikt n PRO 149 Ca -0.01 0.31 0.12 0.00 -2.02 0.00 0.00 63.50 61.90 3ikt n PRO 149 Cb 0.63 -2.42 0.26 0.00 -0.02 0.00 0.00 33.50 31.95 3ikt n PRO 149 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3ikt h ARG 150 N -0.02 0.09 0.00 -0.52 1.12 -1.97 0.18 114.38 113.27 3ikt h ARG 150 Ca -0.49 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.38 3ikt h ARG 150 Cb 1.33 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 31.27 3ikt h ARG 150 CO 0.50 0.06 0.00 -0.85 -3.11 0.00 0.00 179.97 176.57 3ikt n GLU 151 N -5.36 0.11 -0.00 0.20 0.00 -1.26 -3.01 120.64 111.30 3ikt n GLU 151 Ca 0.20 0.28 0.09 0.00 0.00 0.00 0.00 57.16 57.74 3ikt n GLU 151 Cb 0.67 -1.68 -0.12 0.00 0.00 0.00 0.00 31.44 30.30 3ikt n GLU 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3ikt n ALA 152 N -1.64 3.94 0.01 -1.84 0.00 0.59 -4.73 120.51 116.84 3ikt n ALA 152 Ca 0.04 -0.52 -0.01 0.00 0.00 0.00 0.00 53.44 52.94 3ikt n ALA 152 Cb 0.25 -0.70 -0.01 0.00 0.00 0.00 0.00 19.45 18.99 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 2.43 -0.56 -1.02 0.00 0.00 -1.35 -0.05 119.26 118.71 3ikt h ALA 153 Ca 0.00 -0.01 0.25 0.00 0.00 0.00 0.00 54.91 55.15 3ikt h ALA 153 Cb 0.61 0.50 -0.10 0.00 0.00 0.00 0.00 17.79 18.79 3ikt h ALA 153 CO 0.00 -0.57 0.64 0.37 0.00 0.00 0.00 179.25 179.69 3ikt h GLN 154 N -0.05 0.47 0.30 0.00 5.75 -1.85 0.28 115.11 120.01 3ikt h GLN 154 Ca -0.00 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 3ikt h GLN 154 Cb 0.05 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.50 3ikt h GLN 154 CO -0.02 0.31 -0.15 0.87 -2.65 0.00 0.00 178.83 177.19 3ikt h LYS 155 N 0.48 -0.39 -0.51 1.69 6.56 -1.80 -2.22 116.57 120.36 3ikt h LYS 155 Ca 0.60 0.03 0.05 0.00 -1.06 0.00 0.00 60.65 60.27 3ikt h LYS 155 Cb 1.36 0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 33.08 3ikt h LYS 155 CO -0.35 -0.10 0.34 0.00 -2.06 0.00 0.00 179.45 177.29 3ikt h ALA 156 N -0.09 1.85 -0.49 3.86 0.00 0.70 -1.91 119.26 123.18 3ikt h ALA 156 Ca -0.04 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3ikt h ALA 156 Cb 0.47 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3ikt h ALA 156 CO 0.07 0.07 0.13 0.00 0.00 0.00 0.00 179.25 179.51 3ikt h ALA 157 N 1.72 0.64 -0.57 0.00 0.00 -0.34 -1.76 119.26 118.95 3ikt h ALA 157 Ca 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ikt h ALA 157 Cb 0.24 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3ikt h ALA 157 CO -0.06 0.32 0.32 -0.44 0.00 0.00 0.00 179.25 179.40 3ikt h ASP 158 N 0.66 0.69 -0.35 0.00 3.32 -0.73 0.12 116.42 120.13 3ikt h ASP 158 Ca 0.15 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3ikt h ASP 158 Cb 0.31 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3ikt h ASP 158 CO -0.00 0.57 0.23 -0.07 -1.72 0.00 0.00 179.24 178.25 3ikt h LEU 159 N 0.76 0.40 -0.04 1.55 4.07 -1.23 -0.30 115.31 120.53 3ikt h LEU 159 Ca 0.20 -0.01 -0.21 0.00 0.08 0.00 0.00 57.88 57.94 3ikt h LEU 159 Cb 0.02 -0.10 0.02 0.00 1.08 0.00 0.00 40.66 41.67 3ikt h LEU 159 CO -0.03 0.29 -0.80 -0.07 -1.08 0.00 0.00 178.44 176.75 3ikt h LEU 160 N 0.47 0.77 -0.24 1.67 3.38 -0.37 -2.29 115.31 118.70 3ikt h LEU 160 Ca 0.13 -0.71 -0.01 0.00 0.09 0.00 0.00 57.88 57.38 3ikt h LEU 160 Cb -0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3ikt h LEU 160 CO -0.03 1.38 0.13 0.58 0.09 0.00 0.00 178.44 180.59 3ikt h VAL 161 N 0.23 1.12 0.00 1.22 2.07 -0.29 -1.89 116.25 118.71 3ikt h VAL 161 Ca -0.09 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 3ikt h VAL 161 Cb 1.46 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 3ikt h VAL 161 CO 0.16 0.12 -0.19 0.00 0.02 0.00 0.00 177.57 177.67 3ikt h ALA 162 N 1.01 1.39 0.00 1.67 0.00 -1.14 -1.68 119.26 120.52 3ikt h ALA 162 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ikt h ALA 162 Cb 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ikt h ALA 162 CO -0.01 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.48 3ikt n ALA 163 N -2.37 2.35 -1.67 0.00 0.00 -0.78 -4.90 120.51 113.14 3ikt n ALA 163 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3ikt n ALA 163 Cb 0.29 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 1.02 0.91 3.80 0.00 0.00 -0.63 -4.10 105.19 106.18 3ikt n GLY 164 Ca 0.13 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.43 4.14 -0.09 -0.61 1.10 -0.81 -4.72 121.20 117.79 3ikt s ILE 165 Ca 0.00 1.48 0.08 0.00 -0.51 0.00 0.00 60.65 61.70 3ikt s ILE 165 Cb 0.00 -3.69 -0.24 0.00 0.15 0.00 0.00 42.46 38.69 3ikt s ILE 165 CO 0.00 -0.14 0.49 0.29 -2.11 0.00 0.00 174.94 173.47 3ikt n LYS 166 N -0.31 0.67 -3.70 3.50 4.01 0.14 -4.85 118.16 117.62 3ikt n LYS 166 Ca 0.06 0.25 -0.14 0.00 -0.51 0.00 0.00 58.31 57.96 3ikt n LYS 166 Cb 0.52 -1.73 -0.08 0.00 -0.51 0.00 0.00 35.03 33.23 3ikt n LYS 166 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 3ikt s GLY 167 N -5.32 -0.27 -0.15 0.72 0.00 0.40 -2.31 107.32 100.39 3ikt s GLY 167 Ca -0.11 0.65 0.01 0.00 0.00 0.00 0.00 44.72 45.27 3ikt s GLY 167 CO 0.80 0.40 -0.18 -0.42 0.00 0.00 0.00 173.10 173.70 3ikt s ILE 168 N -1.17 1.85 -0.55 0.90 1.01 0.96 -0.49 121.20 123.71 3ikt s ILE 168 Ca -0.12 -0.82 -0.18 0.00 0.00 0.00 0.00 60.65 59.53 3ikt s ILE 168 Cb -0.04 -1.68 0.09 0.00 0.01 0.00 0.00 42.46 40.84 3ikt s ILE 168 CO 0.05 0.51 0.62 -0.22 0.00 0.00 0.00 174.94 175.91 3ikt s LEU 169 N 1.20 5.37 -0.32 2.97 2.96 0.03 -0.55 118.68 130.34 3ikt s LEU 169 Ca 0.01 -1.30 -0.20 0.00 -0.22 0.00 0.00 54.13 52.41 3ikt s LEU 169 Cb -0.14 -2.32 -0.00 0.00 0.50 0.00 0.00 46.19 44.22 3ikt s LEU 169 CO -0.08 -0.97 0.64 0.21 -1.32 0.00 0.00 176.35 174.83 3ikt s ASN 170 N 3.23 6.48 0.00 3.68 2.47 0.17 -1.03 114.94 129.95 3ikt s ASN 170 Ca 0.11 0.35 0.23 0.00 0.42 0.00 0.00 52.86 53.97 3ikt s ASN 170 Cb -0.23 -2.33 0.13 0.00 -1.45 0.00 0.00 41.25 37.36 3ikt s ASN 170 CO 0.08 -0.53 1.18 0.49 -3.72 0.00 0.00 177.10 174.60 3ikt n PHE 171 N 5.96 0.00 -3.20 0.43 3.01 -0.89 -0.42 117.46 122.35 3ikt n PHE 171 Ca -0.01 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.06 3ikt n PHE 171 Cb 0.49 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.89 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 -2.39 3.50 -0.86 4.37 0.00 -1.26 -4.81 121.76 120.31 3ikt s ALA 172 Ca 0.21 0.05 -0.08 0.00 0.00 0.00 0.00 51.96 52.15 3ikt s ALA 172 Cb 0.19 -2.74 -0.06 0.00 0.00 0.00 0.00 23.12 20.50 3ikt s ALA 172 CO 0.51 0.20 2.04 -0.35 0.00 0.00 0.00 175.76 178.17 3ikt n PRO 173 N 2.53 1.92 -3.62 0.00 -0.04 -1.26 -4.79 135.00 129.75 3ikt n PRO 173 Ca -0.07 -1.47 -0.15 0.00 -0.04 0.00 0.00 63.50 61.76 3ikt n PRO 173 Cb 0.51 -2.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.40 3ikt n PRO 173 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3ikt s VAL 174 N 3.69 0.03 -0.24 0.52 0.11 -1.26 -5.07 120.40 118.17 3ikt s VAL 174 Ca 0.40 -0.24 -0.25 0.00 -2.93 0.00 0.00 61.98 58.97 3ikt s VAL 174 Cb 0.10 -0.87 -0.00 0.00 -1.53 0.00 0.00 36.38 34.07 3ikt s VAL 174 CO -0.01 -0.13 0.83 -0.69 -3.33 0.00 0.00 175.10 171.77 3ikt s VAL 175 N -1.62 4.83 0.32 2.04 1.01 -1.26 -5.02 120.40 120.70 3ikt s VAL 175 Ca -0.10 1.57 -0.24 0.00 0.00 0.00 0.00 61.98 63.20 3ikt s VAL 175 Cb -0.02 -4.12 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 3ikt s VAL 175 CO 0.05 -0.08 0.91 -0.76 0.00 0.00 0.00 175.10 175.22 3ikt s LEU 176 N 2.85 4.28 -0.31 3.92 1.43 -1.26 -5.02 118.68 124.56 3ikt s LEU 176 Ca 0.35 1.74 -0.08 0.00 -1.03 0.00 0.00 54.13 55.11 3ikt s LEU 176 Cb -0.15 -4.03 0.01 0.00 0.03 0.00 0.00 46.19 42.05 3ikt s LEU 176 CO 0.07 -0.10 0.11 -1.61 0.23 0.00 0.00 176.35 175.06 3ikt s GLU 177 N -2.23 3.02 0.06 1.70 2.02 -1.26 -5.07 118.70 116.93 3ikt s GLU 177 Ca 0.51 -0.92 -0.03 0.00 0.02 0.00 0.00 54.97 54.55 3ikt s GLU 177 Cb -0.17 -3.46 -0.03 0.00 0.10 0.00 0.00 34.13 30.57 3ikt s GLU 177 CO 0.22 -0.51 0.03 0.14 0.02 0.00 0.00 175.26 175.16 3ikt s VAL 178 N 1.51 0.19 0.40 2.63 -7.23 -1.26 -4.86 120.40 111.78 3ikt s VAL 178 Ca 0.02 -1.57 -0.26 0.00 -1.81 0.00 0.00 61.98 58.36 3ikt s VAL 178 Cb -0.18 -1.37 -0.09 0.00 0.56 0.00 0.00 36.38 35.31 3ikt s VAL 178 CO 0.04 -0.87 1.30 -2.16 -0.31 0.00 0.00 175.10 173.10 3ikt s PRO 179 N -3.68 3.98 0.61 4.82 0.04 -1.26 -4.86 135.00 134.65 3ikt s PRO 179 Ca 0.04 2.15 0.27 0.00 0.04 0.00 0.00 61.00 63.50 3ikt s PRO 179 Cb 0.06 -2.76 1.25 0.00 0.04 0.00 0.00 34.50 33.08 3ikt s PRO 179 CO -0.09 -0.48 1.67 1.57 0.04 0.00 0.00 177.00 179.71 3ikt h LYS 180 N 2.70 0.00 0.00 4.56 -0.00 -2.04 0.36 116.57 122.15 3ikt h LYS 180 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.15 3ikt h LYS 180 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.48 3ikt h LYS 180 CO 0.63 0.00 0.00 -0.85 -0.00 0.00 0.00 179.45 179.23 3ikt n GLU 181 N -3.39 0.18 -4.07 0.07 0.00 -1.26 -4.64 120.64 107.53 3ikt n GLU 181 Ca 0.11 0.36 -0.35 0.00 0.00 0.00 0.00 57.16 57.28 3ikt n GLU 181 Cb 0.90 -1.81 -0.11 0.00 0.00 0.00 0.00 31.44 30.42 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 -3.24 4.35 0.20 3.84 1.01 0.13 -4.98 120.40 121.69 3ikt s VAL 182 Ca 0.06 -0.18 -0.25 0.00 0.00 0.00 0.00 61.98 61.61 3ikt s VAL 182 Cb 0.10 -2.96 -0.08 0.00 0.00 0.00 0.00 36.38 33.44 3ikt s VAL 182 CO 0.41 0.44 0.80 0.00 0.00 0.00 0.00 175.10 176.75 3ikt s ALA 183 N 0.72 3.41 -0.02 5.51 0.00 -0.98 -4.78 121.76 125.63 3ikt s ALA 183 Ca 0.02 0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.37 3ikt s ALA 183 Cb -0.14 -2.98 -0.00 0.00 0.00 0.00 0.00 23.12 20.01 3ikt s ALA 183 CO 0.02 0.28 -0.11 0.08 0.00 0.00 0.00 175.76 176.04 3ikt s VAL 184 N -1.27 0.88 -0.04 0.00 1.01 -1.26 -0.03 120.40 119.69 3ikt s VAL 184 Ca 0.39 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.94 3ikt s VAL 184 Cb -0.22 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.43 3ikt s VAL 184 CO 0.26 0.26 -0.02 -0.70 0.00 0.00 0.00 175.10 174.90 3ikt s GLU 185 N 0.02 0.58 -0.03 2.72 2.56 0.28 -4.96 118.70 119.88 3ikt s GLU 185 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 54.97 54.90 3ikt s GLU 185 Cb -0.07 -0.72 -0.04 0.00 2.00 0.00 0.00 34.13 35.29 3ikt s GLU 185 CO 0.00 -0.14 0.22 -0.80 -0.56 0.00 0.00 175.26 173.98 3ikt s ASN 186 N 1.14 6.46 -0.26 -1.70 0.01 -1.26 0.45 114.94 119.78 3ikt s ASN 186 Ca -0.08 0.51 0.01 0.00 -0.71 0.00 0.00 52.86 52.59 3ikt s ASN 186 Cb -0.14 -2.07 0.07 0.00 0.41 0.00 0.00 41.25 39.52 3ikt s ASN 186 CO -0.01 0.30 -0.02 -0.69 -1.51 0.00 0.00 177.10 175.17 3ikt s VAL 187 N -1.22 1.49 -0.44 1.60 1.01 0.43 -4.91 120.40 118.37 3ikt s VAL 187 Ca 0.24 -1.35 0.03 0.00 0.00 0.00 0.00 61.98 60.90 3ikt s VAL 187 Cb -0.13 -1.85 0.12 0.00 0.00 0.00 0.00 36.38 34.52 3ikt s VAL 187 CO 0.13 -0.24 0.19 -0.62 0.00 0.00 0.00 175.10 174.56 3ikt s ASP 188 N 1.39 4.22 0.29 3.32 3.68 -1.26 -4.19 116.67 124.12 3ikt s ASP 188 Ca -0.02 -2.57 0.08 0.00 2.13 0.00 0.00 52.55 52.17 3ikt s ASP 188 Cb -0.19 -1.40 0.42 0.00 -1.45 0.00 0.00 42.92 40.30 3ikt s ASP 188 CO -0.09 -0.29 1.66 2.19 0.13 0.00 0.00 175.17 178.77 3ikt h PHE 189 N 6.99 0.18 -0.59 -5.34 -5.15 -1.98 -2.14 116.94 108.91 3ikt h PHE 189 Ca -0.06 -0.06 -0.08 0.00 -0.20 0.00 0.00 57.97 57.57 3ikt h PHE 189 Cb 0.94 -0.04 -0.02 0.00 0.22 0.00 0.00 35.95 37.06 3ikt h PHE 189 CO 0.48 0.62 0.04 -0.07 -2.00 0.00 0.00 178.31 177.38 3ikt h LEU 190 N 0.12 0.99 -0.57 2.10 3.38 -1.96 -0.41 115.31 118.95 3ikt h LEU 190 Ca 0.00 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 3ikt h LEU 190 Cb 0.93 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3ikt h LEU 190 CO 0.07 1.03 0.20 0.00 0.09 0.00 0.00 178.44 179.84 3ikt h ALA 191 N 0.99 0.75 -0.73 1.53 0.00 -1.94 -0.77 119.26 119.09 3ikt h ALA 191 Ca 0.17 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3ikt h ALA 191 Cb 0.50 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3ikt h ALA 191 CO 0.02 0.39 0.43 0.78 0.00 0.00 0.00 179.25 180.87 3ikt h GLY 192 N 0.80 1.07 0.95 0.00 0.00 -1.00 0.12 103.07 105.02 3ikt h GLY 192 Ca 0.19 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 3ikt h GLY 192 CO -0.01 0.21 0.10 1.41 0.00 0.00 0.00 176.54 178.24 3ikt h LEU 193 N 0.79 0.21 -1.19 3.11 3.38 -0.60 -2.15 115.31 118.85 3ikt h LEU 193 Ca 0.32 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 3ikt h LEU 193 Cb 0.16 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3ikt h LEU 193 CO -0.17 0.21 0.13 0.74 0.09 0.00 0.00 178.44 179.45 3ikt h THR 194 N 0.18 1.20 -0.35 0.22 2.02 -0.56 -1.55 112.91 114.07 3ikt h THR 194 Ca 0.06 -0.68 -0.07 0.00 0.77 0.00 0.00 66.41 66.49 3ikt h THR 194 Cb 0.05 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3ikt h THR 194 CO -0.01 0.25 -0.08 0.03 0.37 0.00 0.00 175.52 176.08 3ikt h ARG 195 N 0.68 0.58 -0.51 6.66 3.08 -0.54 -1.71 114.38 122.63 3ikt h ARG 195 Ca 0.16 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 3ikt h ARG 195 Cb 0.22 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3ikt h ARG 195 CO -0.01 0.67 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.43 3ikt h LEU 196 N 0.54 0.89 0.21 3.04 3.38 -0.65 0.37 115.31 123.09 3ikt h LEU 196 Ca 0.10 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3ikt h LEU 196 Cb 0.47 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3ikt h LEU 196 CO 0.03 0.98 -0.20 -1.28 0.09 0.00 0.00 178.44 178.06 3ikt h SER 197 N 0.82 -0.52 -0.60 -0.43 0.87 -0.83 0.21 113.55 113.08 3ikt h SER 197 Ca 0.14 0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.77 3ikt h SER 197 Cb 0.57 0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.67 3ikt h SER 197 CO 0.03 -0.30 0.38 0.15 -0.53 0.00 0.00 176.83 176.57 3ikt h PHE 198 N -0.44 0.72 -0.33 2.24 3.57 -1.11 -1.49 116.94 120.11 3ikt h PHE 198 Ca -0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 3ikt h PHE 198 Cb 0.40 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3ikt h PHE 198 CO -0.14 0.43 0.19 0.00 -2.23 0.00 0.00 178.31 176.56 3ikt h ALA 199 N 1.24 0.42 -0.45 2.41 0.00 -0.54 -0.37 119.26 121.98 3ikt h ALA 199 Ca 0.23 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3ikt h ALA 199 Cb -0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3ikt h ALA 199 CO -0.07 -0.06 0.09 0.82 0.00 0.00 0.00 179.25 180.03 3ikt h ILE 200 N 0.42 1.20 0.00 0.00 2.04 -0.35 -2.19 117.51 118.64 3ikt h ILE 200 Ca 0.12 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.24 3ikt h ILE 200 Cb 0.04 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3ikt h ILE 200 CO -0.02 0.27 0.00 -0.07 0.00 0.00 0.00 178.15 178.33 3ikt h LEU 201 N 0.65 0.00 -5.75 1.44 4.07 -0.90 -3.35 115.31 111.48 3ikt h LEU 201 Ca 0.15 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 57.54 3ikt h LEU 201 Cb 0.27 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 41.60 3ikt h LEU 201 CO -0.00 0.00 -0.81 0.59 -1.08 0.00 0.00 178.44 177.14 3ikt n ASN 202 N -2.77 3.00 -0.10 -0.43 3.02 -0.18 -4.94 115.26 112.87 3ikt n ASN 202 Ca 0.04 -3.36 -0.06 0.00 -0.03 0.00 0.00 54.58 51.17 3ikt n ASN 202 Cb 0.45 -0.61 0.01 0.00 -0.61 0.00 0.00 39.78 39.02 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 3.40 0.12 -0.15 3.52 0.13 -1.68 -0.42 132.00 136.92 3ikt h PRO 203 Ca 0.13 -0.01 0.05 0.00 -0.87 0.00 0.00 66.00 65.30 3ikt h PRO 203 Cb 0.69 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 31.73 3ikt h PRO 203 CO 0.71 0.08 -0.26 0.87 -0.23 0.00 0.00 178.00 179.18 3ikt h LYS 204 N 0.13 -0.30 -0.83 0.86 6.56 -1.92 -1.73 116.57 119.35 3ikt h LYS 204 Ca 0.17 0.02 0.03 0.00 -1.06 0.00 0.00 60.65 59.80 3ikt h LYS 204 Cb 0.22 0.07 -0.05 0.00 -0.57 0.00 0.00 32.23 31.90 3ikt h LYS 204 CO -0.26 -0.20 0.54 2.35 -2.06 0.00 0.00 179.45 179.81 3ikt h TRP 205 N -0.31 1.01 0.00 -1.35 7.01 -1.88 -3.56 115.95 116.87 3ikt h TRP 205 Ca 0.11 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.13 3ikt h TRP 205 Cb 0.47 -0.34 0.00 0.00 -2.10 0.00 0.00 29.16 27.20 3ikt h TRP 205 CO -0.36 0.59 0.00 -2.13 -2.79 0.00 0.00 178.44 173.75