#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ni6 s GLU 2 N 0.00 0.87 0.05 2.12 -1.05 -1.26 -5.15 118.70 114.28 1ni6 s GLU 2 Ca 0.00 -0.49 -0.14 0.00 -0.15 0.00 0.00 54.97 54.19 1ni6 s GLU 2 Cb 0.00 0.29 -0.06 0.00 -0.44 0.00 0.00 34.13 33.92 1ni6 s GLU 2 CO 0.00 -0.40 0.45 1.03 0.95 0.00 0.00 175.26 177.29 1ni6 s ARG 3 N -2.84 3.92 0.39 -4.83 1.81 -1.26 -5.06 118.95 111.08 1ni6 s ARG 3 Ca 0.14 0.40 -0.26 0.00 -1.72 0.00 0.00 55.73 54.29 1ni6 s ARG 3 Cb 0.01 -3.12 -0.09 0.00 -0.45 0.00 0.00 34.95 31.30 1ni6 s ARG 3 CO -0.00 0.62 1.29 -2.14 -0.68 0.00 0.00 175.30 174.39 1ni6 s PRO 4 N -1.42 4.05 -0.04 3.54 0.02 -1.26 -5.04 135.00 134.84 1ni6 s PRO 4 Ca 0.29 2.13 -0.01 0.00 0.02 0.00 0.00 61.00 63.43 1ni6 s PRO 4 Cb -0.16 -2.81 -0.04 0.00 0.02 0.00 0.00 34.50 31.51 1ni6 s PRO 4 CO 0.16 -0.41 0.04 -0.65 -0.33 0.00 0.00 177.00 175.81 1ni6 s GLN 5 N -2.16 3.02 0.36 5.54 -1.52 -1.26 -5.05 119.66 118.59 1ni6 s GLN 5 Ca 0.55 -0.44 -0.28 0.00 -1.95 0.00 0.00 55.36 53.24 1ni6 s GLN 5 Cb -0.38 -2.83 -0.11 0.00 -0.22 0.00 0.00 33.01 29.47 1ni6 s GLN 5 CO 0.48 0.68 1.49 -2.30 -0.25 0.00 0.00 175.29 175.39 1ni6 n PRO 6 N 1.65 2.63 -3.35 2.91 -0.02 -1.26 -2.22 135.00 135.34 1ni6 n PRO 6 Ca -0.16 0.92 -0.24 0.00 -2.02 0.00 0.00 63.50 62.00 1ni6 n PRO 6 Cb 0.53 -2.65 0.02 0.00 -0.02 0.00 0.00 33.50 31.38 1ni6 n PRO 6 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1ni6 n ASP 7 N 0.75 -4.81 -4.45 2.55 2.03 -1.26 -2.30 116.55 109.06 1ni6 n ASP 7 Ca 0.03 -0.43 -0.41 0.00 0.52 0.00 0.00 54.79 54.50 1ni6 n ASP 7 Cb 0.38 -3.91 -0.06 0.00 -0.72 0.00 0.00 41.12 36.81 1ni6 n ASP 7 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1ni6 n SER 8 N -2.49 -2.22 -4.82 1.67 3.41 -0.94 -4.93 113.62 103.30 1ni6 n SER 8 Ca -0.04 -1.18 -0.32 0.00 -0.26 0.00 0.00 58.87 57.08 1ni6 n SER 8 Cb 0.57 -1.96 0.03 0.00 -0.26 0.00 0.00 64.21 62.59 1ni6 n SER 8 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1ni6 s MET 9 N -7.15 3.22 0.78 4.33 -1.94 -0.97 -5.01 119.30 112.55 1ni6 s MET 9 Ca 0.79 0.99 -0.14 0.00 -1.71 0.00 0.00 55.69 55.62 1ni6 s MET 9 Cb -0.45 -2.03 0.06 0.00 2.01 0.00 0.00 34.83 34.42 1ni6 s MET 9 CO 1.00 -0.88 1.15 -0.35 -0.01 0.00 0.00 175.02 175.93 1ni6 n PRO 10 N -2.67 0.31 -0.10 2.03 -0.04 -1.26 -4.70 135.00 128.56 1ni6 n PRO 10 Ca 0.07 0.18 -0.11 0.00 -0.04 0.00 0.00 63.50 63.60 1ni6 n PRO 10 Cb 0.53 -2.40 -0.03 0.00 -0.04 0.00 0.00 33.50 31.56 1ni6 n PRO 10 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1ni6 h GLN 11 N -0.69 0.54 -6.28 0.54 1.08 -1.97 -3.42 115.11 104.92 1ni6 h GLN 11 Ca -0.47 -0.18 -0.55 0.00 -1.45 0.00 0.00 58.65 55.99 1ni6 h GLN 11 Cb 1.31 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.68 1ni6 h GLN 11 CO 0.46 0.70 0.85 -0.51 -0.95 0.00 0.00 178.83 179.39 1ni6 s ASP 12 N -6.08 6.90 0.21 1.46 1.01 -1.26 -4.92 116.67 114.00 1ni6 s ASP 12 Ca -0.13 1.93 -0.11 0.00 0.71 0.00 0.00 52.55 54.95 1ni6 s ASP 12 Cb 0.08 -2.55 0.30 0.00 1.01 0.00 0.00 42.92 41.76 1ni6 s ASP 12 CO 0.77 -0.72 1.67 0.25 0.21 0.00 0.00 175.17 177.34 1ni6 h LEU 13 N 8.95 -0.26 -1.49 1.23 5.85 -1.87 0.55 115.31 128.27 1ni6 h LEU 13 Ca -0.34 0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.61 1ni6 h LEU 13 Cb 1.15 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.40 1ni6 h LEU 13 CO 0.92 -0.11 0.43 0.77 -0.34 0.00 0.00 178.44 180.12 1ni6 h SER 14 N 0.13 0.53 0.06 1.25 4.64 -1.90 0.21 113.55 118.47 1ni6 h SER 14 Ca 0.32 0.01 -0.23 0.00 -0.47 0.00 0.00 61.79 61.42 1ni6 h SER 14 Cb 0.52 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1ni6 h SER 14 CO -0.52 0.34 -0.88 -0.08 -0.87 0.00 0.00 176.83 174.82 1ni6 h GLU 15 N 0.60 0.63 -0.45 4.77 4.81 -1.34 -2.28 114.58 121.33 1ni6 h GLU 15 Ca 0.29 -0.58 -0.08 0.00 -0.13 0.00 0.00 59.36 58.85 1ni6 h GLU 15 Cb 0.35 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1ni6 h GLU 15 CO -0.09 1.20 -0.05 0.00 -0.73 0.00 0.00 179.01 179.34 1ni6 h ALA 16 N 0.62 1.06 -0.18 2.92 0.00 -0.12 -1.79 119.26 121.77 1ni6 h ALA 16 Ca -0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1ni6 h ALA 16 Cb 1.50 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1ni6 h ALA 16 CO 0.17 0.58 0.02 -0.07 0.00 0.00 0.00 179.25 179.95 1ni6 h LEU 17 N 0.72 0.30 0.15 0.00 3.38 -0.59 -1.52 115.31 117.74 1ni6 h LEU 17 Ca 0.13 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.84 1ni6 h LEU 17 Cb 0.51 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1ni6 h LEU 17 CO 0.03 0.51 -0.44 0.50 0.09 0.00 0.00 178.44 179.12 1ni6 h LYS 18 N 0.09 -0.67 0.12 1.13 3.64 -1.17 -0.37 116.57 119.34 1ni6 h LYS 18 Ca 0.05 0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1ni6 h LYS 18 Cb 0.34 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 1ni6 h LYS 18 CO 0.01 -0.45 -0.31 0.93 -2.27 0.00 0.00 179.45 177.36 1ni6 h GLU 19 N -0.69 -0.52 -0.09 1.90 5.08 -1.32 -2.31 114.58 116.63 1ni6 h GLU 19 Ca 0.01 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1ni6 h GLU 19 Cb 0.71 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1ni6 h GLU 19 CO -0.23 -0.34 -0.06 0.00 -1.00 0.00 0.00 179.01 177.37 1ni6 h ALA 20 N 0.13 1.74 -0.44 3.43 0.00 -1.15 -2.90 119.26 120.06 1ni6 h ALA 20 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ni6 h ALA 20 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ni6 h ALA 20 CO -0.18 0.20 0.00 0.25 0.00 0.00 0.00 179.25 179.52 1ni6 n THR 21 N -4.39 0.57 -0.24 0.00 -2.24 -0.16 -4.51 114.28 103.31 1ni6 n THR 21 Ca -0.02 -0.76 0.01 0.00 -2.27 0.00 0.00 64.05 61.02 1ni6 n THR 21 Cb 0.18 0.84 0.13 0.00 -2.10 0.00 0.00 70.33 69.38 1ni6 n THR 21 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1ni6 h LYS 22 N 4.26 0.58 0.11 -0.78 1.63 -1.20 -0.34 116.57 120.82 1ni6 h LYS 22 Ca 0.00 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1ni6 h LYS 22 Cb 0.94 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 1ni6 h LYS 22 CO 0.00 0.38 -0.05 1.49 -3.45 0.00 0.00 179.45 177.82 1ni6 h GLU 23 N 0.59 -0.14 -0.80 1.90 4.57 -1.82 -2.78 114.58 116.11 1ni6 h GLU 23 Ca 0.34 0.01 0.17 0.00 -1.18 0.00 0.00 59.36 58.70 1ni6 h GLU 23 Cb 0.36 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.93 1ni6 h GLU 23 CO -0.27 -0.09 0.54 -0.39 -1.18 0.00 0.00 179.01 177.62 1ni6 h VAL 24 N -0.15 0.75 0.17 0.32 -1.51 -1.86 -2.20 116.25 111.77 1ni6 h VAL 24 Ca -0.01 -0.13 0.01 0.00 -1.23 0.00 0.00 66.70 65.33 1ni6 h VAL 24 Cb 0.11 0.33 -0.02 0.00 -2.13 0.00 0.00 31.29 29.58 1ni6 h VAL 24 CO 0.02 0.07 -0.18 -0.74 -1.23 0.00 0.00 177.57 175.51 1ni6 h HIS 25 N 0.38 -0.48 -0.61 5.19 -0.00 -1.01 0.23 115.15 118.85 1ni6 h HIS 25 Ca 0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.77 1ni6 h HIS 25 Cb 0.99 0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 28.56 1ni6 h HIS 25 CO -0.00 -0.28 0.35 1.79 -0.00 0.00 0.00 177.93 179.79 1ni6 h THR 26 N -0.39 1.19 -0.72 6.26 1.35 -1.12 -1.82 112.91 117.66 1ni6 h THR 26 Ca 0.00 -0.46 0.08 0.00 -0.55 0.00 0.00 66.41 65.48 1ni6 h THR 26 Cb 0.38 0.39 -0.07 0.00 -1.73 0.00 0.00 68.15 67.12 1ni6 h THR 26 CO -0.05 0.20 0.39 1.56 -0.25 0.00 0.00 175.52 177.37 1ni6 h GLN 27 N 0.83 0.66 -0.65 4.72 4.20 -1.18 0.17 115.11 123.86 1ni6 h GLN 27 Ca 0.22 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.90 1ni6 h GLN 27 Cb 0.02 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 1ni6 h GLN 27 CO -0.04 0.44 0.43 0.00 -0.67 0.00 0.00 178.83 178.99 1ni6 h ALA 28 N 1.40 0.83 0.00 3.87 0.00 -0.22 -0.79 119.26 124.36 1ni6 h ALA 28 Ca 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1ni6 h ALA 28 Cb 0.29 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ni6 h ALA 28 CO -0.23 0.24 0.00 -0.85 0.00 0.00 0.00 179.25 178.41 1ni6 n GLU 29 N -4.64 0.23 0.01 0.00 0.28 -0.65 -3.09 120.64 112.77 1ni6 n GLU 29 Ca 0.06 0.01 -0.07 0.00 -0.16 0.00 0.00 57.16 57.00 1ni6 n GLU 29 Cb 0.03 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.28 1ni6 n GLU 29 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 1ni6 h ASN 30 N 0.00 0.00 -1.39 -1.84 -0.26 0.73 -3.33 115.58 109.48 1ni6 h ASN 30 Ca 0.00 0.00 -0.76 0.00 -0.56 0.00 0.00 56.30 54.98 1ni6 h ASN 30 Cb 0.37 0.00 0.03 0.00 -1.06 0.00 0.00 38.32 37.66 1ni6 h ASN 30 CO 0.00 0.94 0.62 0.00 -1.06 0.00 0.00 177.43 177.93 1ni6 n ALA 31 N -2.48 -1.12 -0.34 -0.83 0.00 -0.76 -4.54 120.51 110.43 1ni6 n ALA 31 Ca -0.12 0.47 0.14 0.00 0.00 0.00 0.00 53.44 53.94 1ni6 n ALA 31 Cb 0.99 -2.06 0.29 0.00 0.00 0.00 0.00 19.45 18.67 1ni6 n ALA 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ni6 h GLU 32 N 5.48 0.01 0.14 0.00 4.81 -1.91 0.52 114.58 123.63 1ni6 h GLU 32 Ca -0.47 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.78 1ni6 h GLU 32 Cb 1.35 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.69 1ni6 h GLU 32 CO 0.87 0.01 -0.37 0.35 -0.73 0.00 0.00 179.01 179.14 1ni6 h PHE 33 N 0.01 -1.02 -0.51 0.92 3.57 -1.86 0.35 116.94 118.39 1ni6 h PHE 33 Ca 0.60 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 62.04 1ni6 h PHE 33 Cb 1.22 0.43 -0.02 0.00 2.79 0.00 0.00 35.95 40.37 1ni6 h PHE 33 CO -0.50 -0.48 0.01 1.98 -2.23 0.00 0.00 178.31 177.09 1ni6 h MET 34 N -0.61 0.90 -0.65 1.11 4.05 -1.46 -1.42 114.93 116.84 1ni6 h MET 34 Ca 0.02 -0.28 -0.00 0.00 -0.28 0.00 0.00 59.70 59.16 1ni6 h MET 34 Cb 0.64 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.32 1ni6 h MET 34 CO -0.20 0.92 0.39 -0.09 0.23 0.00 0.00 176.91 178.16 1ni6 h ARG 35 N 0.77 0.88 -0.08 0.39 2.43 -0.72 0.49 114.38 118.53 1ni6 h ARG 35 Ca 0.15 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1ni6 h ARG 35 Cb 0.51 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1ni6 h ARG 35 CO 0.02 0.63 -0.04 -0.91 -1.51 0.00 0.00 179.97 178.17 1ni6 h ASN 36 N 0.88 -0.14 -0.57 -3.80 -0.26 -0.09 -0.65 115.58 110.97 1ni6 h ASN 36 Ca 0.23 0.03 0.09 0.00 -0.56 0.00 0.00 56.30 56.10 1ni6 h ASN 36 Cb -0.02 0.08 -0.07 0.00 -1.06 0.00 0.00 38.32 37.24 1ni6 h ASN 36 CO -0.04 -0.06 0.17 0.15 -1.06 0.00 0.00 177.43 176.59 1ni6 h PHE 37 N -0.03 0.29 0.00 1.19 3.04 -0.74 0.66 116.94 121.34 1ni6 h PHE 37 Ca 0.05 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 1ni6 h PHE 37 Cb 0.11 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 38.57 1ni6 h PHE 37 CO -0.15 0.05 -0.03 1.96 -2.02 0.00 0.00 178.31 178.12 1ni6 h GLN 38 N 0.33 0.00 -0.46 1.11 4.20 -0.15 -1.70 115.11 118.44 1ni6 h GLN 38 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1ni6 h GLN 38 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1ni6 h GLN 38 CO -0.32 0.03 0.00 1.63 -0.67 0.00 0.00 178.83 179.50 1ni6 n LYS 39 N -4.47 2.13 -0.81 1.46 4.76 0.19 -4.88 118.16 116.54 1ni6 n LYS 39 Ca -0.03 -1.75 0.00 0.00 -2.87 0.00 0.00 58.31 53.66 1ni6 n LYS 39 Cb 0.11 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 1ni6 n LYS 39 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ni6 n GLY 40 N 1.29 0.67 3.10 0.72 0.00 -0.64 -4.96 105.19 105.36 1ni6 n GLY 40 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1ni6 n GLY 40 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ni6 n GLN 41 N -2.62 3.69 -3.75 1.61 -0.06 0.20 -4.90 117.38 111.55 1ni6 n GLN 41 Ca 0.00 -3.87 -0.17 0.00 -2.00 0.00 0.00 57.00 50.97 1ni6 n GLN 41 Cb 0.00 -2.86 -0.17 0.00 -4.06 0.00 0.00 30.24 23.16 1ni6 n GLN 41 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1ni6 s VAL 42 N 0.04 -0.05 0.60 1.69 0.11 -1.26 -3.06 120.40 118.47 1ni6 s VAL 42 Ca 0.38 0.27 0.03 0.00 -2.93 0.00 0.00 61.98 59.73 1ni6 s VAL 42 Cb 0.04 -0.12 0.08 0.00 -1.53 0.00 0.00 36.38 34.85 1ni6 s VAL 42 CO 0.01 0.12 0.84 0.42 -3.33 0.00 0.00 175.10 173.16 1ni6 s THR 43 N 1.38 2.40 0.23 5.04 -4.23 -1.26 -4.76 115.64 114.45 1ni6 s THR 43 Ca -0.05 -0.75 0.04 0.00 -1.18 0.00 0.00 61.69 59.75 1ni6 s THR 43 Cb -0.13 -2.65 -0.04 0.00 1.34 0.00 0.00 72.50 71.03 1ni6 s THR 43 CO -0.03 0.00 1.56 0.03 -0.54 0.00 0.00 174.62 175.64 1ni6 h ARG 44 N -0.06 0.28 -0.23 3.99 3.08 -1.96 -0.23 114.38 119.25 1ni6 h ARG 44 Ca -0.37 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.46 1ni6 h ARG 44 Cb 1.28 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 1ni6 h ARG 44 CO 0.44 0.78 -0.01 -0.44 -1.07 0.00 0.00 179.97 179.68 1ni6 h ASP 45 N 0.21 0.41 -0.38 7.04 5.19 -1.99 -1.50 116.42 125.40 1ni6 h ASP 45 Ca -0.00 -0.32 -0.08 0.00 -0.62 0.00 0.00 57.03 56.02 1ni6 h ASP 45 Cb 1.08 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.47 1ni6 h ASP 45 CO 0.09 0.63 -0.06 1.23 -3.12 0.00 0.00 179.24 178.01 1ni6 h GLY 46 N 0.18 0.77 1.29 2.75 0.00 -1.93 -2.28 103.07 103.86 1ni6 h GLY 46 Ca 0.07 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1ni6 h GLY 46 CO 0.01 0.56 0.41 -2.75 0.00 0.00 0.00 176.54 174.78 1ni6 h PHE 47 N 0.52 0.91 -0.67 5.60 3.57 -1.01 -1.91 116.94 123.96 1ni6 h PHE 47 Ca 0.10 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1ni6 h PHE 47 Cb 0.56 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1ni6 h PHE 47 CO 0.05 0.61 0.32 0.87 -2.23 0.00 0.00 178.31 177.93 1ni6 h LYS 48 N 0.96 0.97 -0.73 1.11 1.57 -1.00 -1.71 116.57 117.73 1ni6 h LYS 48 Ca 0.25 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 1ni6 h LYS 48 Cb -0.03 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 1ni6 h LYS 48 CO -0.05 0.77 0.20 -0.07 -0.57 0.00 0.00 179.45 179.73 1ni6 h LEU 49 N 0.93 1.09 -0.31 2.94 3.38 -0.79 -1.55 115.31 121.00 1ni6 h LEU 49 Ca 0.23 -0.22 -0.20 0.00 0.09 0.00 0.00 57.88 57.78 1ni6 h LEU 49 Cb 0.12 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1ni6 h LEU 49 CO -0.03 1.03 -0.73 -0.37 0.09 0.00 0.00 178.44 178.43 1ni6 h VAL 50 N 1.10 1.33 -0.40 1.22 -1.51 -1.25 -1.31 116.25 115.43 1ni6 h VAL 50 Ca 0.23 -2.05 -0.09 0.00 -1.23 0.00 0.00 66.70 63.57 1ni6 h VAL 50 Cb 0.35 2.03 -0.02 0.00 -2.13 0.00 0.00 31.29 31.52 1ni6 h VAL 50 CO -0.00 0.63 -0.10 0.24 -1.23 0.00 0.00 177.57 177.10 1ni6 h MET 51 N 0.40 0.70 -0.23 5.19 2.86 -1.21 0.12 114.93 122.76 1ni6 h MET 51 Ca -0.04 -0.22 -0.19 0.00 -2.06 0.00 0.00 59.70 57.19 1ni6 h MET 51 Cb 1.33 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.93 1ni6 h MET 51 CO 0.14 0.79 -0.62 0.00 1.06 0.00 0.00 176.91 178.28 1ni6 h ALA 52 N 1.24 0.45 0.19 6.32 0.00 -1.25 -2.19 119.26 124.03 1ni6 h ALA 52 Ca 0.11 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1ni6 h ALA 52 Cb 0.55 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ni6 h ALA 52 CO 0.03 0.69 -0.09 0.77 0.00 0.00 0.00 179.25 180.65 1ni6 h SER 53 N 0.59 -0.21 -0.96 0.00 0.02 -0.89 -2.33 113.55 109.77 1ni6 h SER 53 Ca -0.01 -0.04 0.12 0.00 -0.84 0.00 0.00 61.79 61.03 1ni6 h SER 53 Cb 1.23 0.06 -0.08 0.00 0.14 0.00 0.00 62.40 63.74 1ni6 h SER 53 CO 0.13 -0.10 0.61 -0.07 -1.14 0.00 0.00 176.83 176.26 1ni6 h LEU 54 N -0.31 0.83 0.43 5.07 3.38 -0.75 -0.25 115.31 123.71 1ni6 h LEU 54 Ca -0.03 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1ni6 h LEU 54 Cb 0.24 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1ni6 h LEU 54 CO 0.04 0.44 -0.34 0.22 0.09 0.00 0.00 178.44 178.90 1ni6 h TYR 55 N 0.89 -0.90 -0.68 1.13 3.20 -0.99 0.96 116.97 120.59 1ni6 h TYR 55 Ca 0.47 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.37 1ni6 h TYR 55 Cb 0.55 0.34 -0.04 0.00 1.54 0.00 0.00 36.73 39.12 1ni6 h TYR 55 CO -0.00 -0.49 0.42 0.45 -1.64 0.00 0.00 178.16 176.89 1ni6 h HIS 56 N -0.76 0.79 0.37 -3.82 3.86 -0.87 -0.14 115.15 114.57 1ni6 h HIS 56 Ca -0.04 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1ni6 h HIS 56 Cb 0.66 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 1ni6 h HIS 56 CO -0.15 0.45 -0.25 0.82 0.86 0.00 0.00 177.93 179.65 1ni6 h ILE 57 N 0.82 0.48 -0.14 2.45 2.04 -0.86 -2.58 117.51 119.73 1ni6 h ILE 57 Ca 0.27 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.05 1ni6 h ILE 57 Cb 0.02 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1ni6 h ILE 57 CO -0.11 0.00 -0.27 1.88 0.00 0.00 0.00 178.15 179.65 1ni6 h TYR 58 N -0.60 0.27 -0.24 1.37 0.05 -0.60 -0.77 116.97 116.45 1ni6 h TYR 58 Ca -0.04 -0.05 -0.00 0.00 0.05 0.00 0.00 58.73 58.69 1ni6 h TYR 58 Cb 0.51 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.17 1ni6 h TYR 58 CO -0.11 0.50 0.14 0.28 -1.05 0.00 0.00 178.16 177.92 1ni6 h VAL 59 N 0.22 1.10 -0.27 -2.88 2.07 -0.94 -0.24 116.25 115.31 1ni6 h VAL 59 Ca 0.03 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 1ni6 h VAL 59 Cb 0.60 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1ni6 h VAL 59 CO 0.04 0.09 -0.04 0.00 0.02 0.00 0.00 177.57 177.69 1ni6 h ALA 60 N 1.04 0.36 -0.03 1.67 0.00 -1.24 -1.76 119.26 119.30 1ni6 h ALA 60 Ca 0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ni6 h ALA 60 Cb 0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ni6 h ALA 60 CO -0.02 0.14 0.02 1.25 0.00 0.00 0.00 179.25 180.65 1ni6 h LEU 61 N 0.26 0.04 -1.04 0.00 5.85 -1.04 -2.33 115.31 117.05 1ni6 h LEU 61 Ca 0.07 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1ni6 h LEU 61 Cb 0.49 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1ni6 h LEU 61 CO 0.02 0.15 -0.30 -0.33 -0.34 0.00 0.00 178.44 177.64 1ni6 h GLU 62 N -0.06 0.00 -0.28 1.25 5.08 -1.08 0.69 114.58 120.19 1ni6 h GLU 62 Ca 0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1ni6 h GLU 62 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1ni6 h GLU 62 CO -0.00 0.30 0.01 1.49 -1.00 0.00 0.00 179.01 179.81 1ni6 h GLU 63 N 0.00 0.48 -0.10 2.33 4.81 -1.18 -1.73 114.58 119.19 1ni6 h GLU 63 Ca -0.00 -0.15 -0.15 0.00 -0.13 0.00 0.00 59.36 58.93 1ni6 h GLU 63 Cb 0.81 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1ni6 h GLU 63 CO 0.04 0.63 -0.59 0.93 -0.73 0.00 0.00 179.01 179.29 1ni6 h GLU 64 N 0.27 0.32 -0.17 1.92 4.39 -0.94 -2.24 114.58 118.13 1ni6 h GLU 64 Ca 0.08 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 1ni6 h GLU 64 Cb 0.40 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1ni6 h GLU 64 CO 0.01 0.82 0.08 0.82 -1.16 0.00 0.00 179.01 179.57 1ni6 h ILE 65 N 0.24 1.14 -0.93 3.13 2.04 -0.79 -1.87 117.51 120.46 1ni6 h ILE 65 Ca -0.00 -0.41 0.10 0.00 1.00 0.00 0.00 64.86 65.55 1ni6 h ILE 65 Cb 1.10 1.10 -0.07 0.00 -0.74 0.00 0.00 36.82 38.21 1ni6 h ILE 65 CO 0.10 0.13 0.60 -0.33 0.00 0.00 0.00 178.15 178.64 1ni6 h GLU 66 N 0.14 0.92 -0.08 2.37 4.39 -1.18 0.24 114.58 121.38 1ni6 h GLU 66 Ca 0.06 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 1ni6 h GLU 66 Cb 0.14 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1ni6 h GLU 66 CO -0.01 0.61 -0.34 -0.09 -1.16 0.00 0.00 179.01 178.02 1ni6 h ARG 67 N 0.94 0.15 -0.25 2.33 2.43 -0.94 -3.21 114.38 115.83 1ni6 h ARG 67 Ca 0.43 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1ni6 h ARG 67 Cb 0.40 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1ni6 h ARG 67 CO -0.19 0.47 0.00 0.09 -1.51 0.00 0.00 179.97 178.83 1ni6 n ASN 68 N -4.10 2.99 0.18 -3.80 4.13 -0.54 -4.78 115.26 109.33 1ni6 n ASN 68 Ca -0.01 -2.34 0.16 0.00 1.68 0.00 0.00 54.58 54.07 1ni6 n ASN 68 Cb 0.41 -0.29 0.78 0.00 -1.54 0.00 0.00 39.78 39.14 1ni6 n ASN 68 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1ni6 h LYS 69 N 1.51 0.00 -0.00 3.52 2.10 -0.58 -2.05 116.57 121.07 1ni6 h LYS 69 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ni6 h LYS 69 Cb 0.90 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.23 1ni6 h LYS 69 CO 0.06 0.00 -0.56 0.39 -2.00 0.00 0.00 179.45 177.34 1ni6 n GLU 70 N -4.03 0.01 -2.61 0.07 1.02 -1.26 -3.83 120.64 110.01 1ni6 n GLU 70 Ca 0.02 -0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.76 1ni6 n GLU 70 Cb 0.34 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.21 1ni6 n GLU 70 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ni6 s SER 71 N -3.00 7.45 0.58 1.62 0.15 -0.77 -4.80 113.70 114.93 1ni6 s SER 71 Ca 0.11 2.09 0.37 0.00 0.70 0.00 0.00 55.95 59.22 1ni6 s SER 71 Cb 0.17 -2.62 2.02 0.00 -1.71 0.00 0.00 66.02 63.89 1ni6 s SER 71 CO 0.72 -0.01 2.14 1.55 1.20 0.00 0.00 173.24 178.84 1ni6 h PRO 72 N 4.15 0.00 0.00 5.44 0.13 -1.91 0.55 132.00 140.36 1ni6 h PRO 72 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ni6 h PRO 72 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ni6 h PRO 72 CO 0.68 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 179.78 1ni6 n VAL 73 N -2.84 0.72 0.00 1.56 0.24 -1.26 -4.10 118.33 112.65 1ni6 n VAL 73 Ca -0.02 0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 1ni6 n VAL 73 Cb 0.10 -0.92 0.00 0.00 -1.47 0.00 0.00 33.84 31.55 1ni6 n VAL 73 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1ni6 n PHE 74 N -2.00 0.00 -0.36 6.34 7.35 -0.41 -4.75 117.46 123.63 1ni6 n PHE 74 Ca 0.04 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.74 1ni6 n PHE 74 Cb 0.27 0.00 0.07 0.00 0.35 0.00 0.00 39.48 40.18 1ni6 n PHE 74 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ni6 n ALA 75 N -0.69 0.01 -0.20 3.13 0.00 0.18 -1.12 120.51 121.81 1ni6 n ALA 75 Ca 0.00 0.99 0.23 0.00 0.00 0.00 0.00 53.44 54.66 1ni6 n ALA 75 Cb 0.08 -0.50 0.62 0.00 0.00 0.00 0.00 19.45 19.64 1ni6 n ALA 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1ni6 h PRO 76 N 0.00 0.20 -0.51 0.00 0.11 -1.83 -1.36 132.00 128.61 1ni6 h PRO 76 Ca 0.38 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.32 1ni6 h PRO 76 Cb 0.62 -0.04 -0.09 0.00 0.11 0.00 0.00 31.00 31.59 1ni6 h PRO 76 CO -0.96 0.13 0.12 1.33 -0.21 0.00 0.00 178.00 178.41 1ni6 n VAL 77 N -4.40 2.66 -2.92 3.15 0.24 -0.28 -4.79 118.33 111.99 1ni6 n VAL 77 Ca 0.19 -2.01 -0.43 0.00 -2.04 0.00 0.00 64.34 60.05 1ni6 n VAL 77 Cb 0.82 -0.32 -0.05 0.00 -1.47 0.00 0.00 33.84 32.81 1ni6 n VAL 77 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1ni6 s TYR 78 N -3.03 2.85 -0.52 6.34 5.04 -0.51 -4.93 117.35 122.59 1ni6 s TYR 78 Ca 0.49 -0.21 0.07 0.00 -2.44 0.00 0.00 57.07 54.97 1ni6 s TYR 78 Cb 0.40 -3.96 0.23 0.00 0.35 0.00 0.00 41.96 38.99 1ni6 s TYR 78 CO 0.09 -1.30 0.58 1.19 -1.34 0.00 0.00 175.55 174.77 1ni6 n PHE 79 N 7.15 1.41 0.13 4.97 3.72 -1.26 -5.00 117.46 128.58 1ni6 n PHE 79 Ca -0.01 -3.83 -0.13 0.00 -0.05 0.00 0.00 57.45 53.43 1ni6 n PHE 79 Cb 0.47 -0.39 -0.06 0.00 -0.94 0.00 0.00 39.48 38.56 1ni6 n PHE 79 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1ni6 h PRO 80 N 4.37 -0.46 -0.34 -1.08 0.13 -1.98 -2.00 132.00 130.65 1ni6 h PRO 80 Ca 0.15 0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 65.25 1ni6 h PRO 80 Cb 0.79 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 1ni6 h PRO 80 CO 0.62 -0.31 -0.02 0.93 -0.23 0.00 0.00 178.00 178.98 1ni6 h GLU 81 N -0.48 0.61 -0.25 0.86 4.39 -1.96 -1.14 114.58 116.61 1ni6 h GLU 81 Ca 0.02 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.45 1ni6 h GLU 81 Cb 0.49 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1ni6 h GLU 81 CO -0.12 0.75 -0.12 0.93 -1.16 0.00 0.00 179.01 179.29 1ni6 h GLU 82 N 0.41 0.41 0.00 2.33 3.07 -1.83 -3.39 114.58 115.58 1ni6 h GLU 82 Ca 0.09 -0.11 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 1ni6 h GLU 82 Cb 0.49 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1ni6 h GLU 82 CO 0.02 0.53 -1.23 1.28 -1.40 0.00 0.00 179.01 178.22 1ni6 n LEU 83 N -4.23 0.00 -4.53 1.33 4.77 -0.75 -4.55 117.00 109.04 1ni6 n LEU 83 Ca 0.00 0.00 -0.56 0.00 -0.03 0.00 0.00 56.01 55.42 1ni6 n LEU 83 Cb 0.30 0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.36 1ni6 n LEU 83 CO 0.39 0.04 0.69 0.00 -1.33 0.00 0.00 177.39 177.18 1ni6 n HIS 84 N -1.87 0.96 0.09 -1.77 1.44 -0.44 -4.88 115.22 108.75 1ni6 n HIS 84 Ca -0.03 0.90 0.01 0.00 -2.01 0.00 0.00 57.72 56.59 1ni6 n HIS 84 Cb 0.34 -2.18 -0.02 0.00 0.12 0.00 0.00 29.99 28.25 1ni6 n HIS 84 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 1ni6 n ARG 85 N 1.87 4.44 -0.04 -1.40 3.00 -1.26 -4.80 116.66 118.47 1ni6 n ARG 85 Ca 0.19 -0.01 -0.08 0.00 -0.00 0.00 0.00 57.85 57.96 1ni6 n ARG 85 Cb 0.13 -0.75 -0.02 0.00 0.00 0.00 0.00 32.46 31.82 1ni6 n ARG 85 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1ni6 h LYS 86 N 0.00 -0.09 -0.89 -0.14 3.64 -1.90 -0.89 116.57 116.30 1ni6 h LYS 86 Ca 0.00 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1ni6 h LYS 86 Cb 0.08 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.86 1ni6 h LYS 86 CO 0.00 -0.06 0.56 0.00 -2.27 0.00 0.00 179.45 177.68 1ni6 h ALA 87 N 1.08 1.22 -0.36 5.00 0.00 -1.99 0.80 119.26 125.00 1ni6 h ALA 87 Ca 0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1ni6 h ALA 87 Cb 0.28 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1ni6 h ALA 87 CO -0.28 0.33 0.11 0.00 0.00 0.00 0.00 179.25 179.41 1ni6 h ALA 88 N 1.41 0.47 -0.16 0.00 0.00 -1.75 -1.17 119.26 118.06 1ni6 h ALA 88 Ca 0.38 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1ni6 h ALA 88 Cb 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ni6 h ALA 88 CO -0.16 0.12 -0.08 -0.07 0.00 0.00 0.00 179.25 179.05 1ni6 h LEU 89 N 0.43 0.22 -0.32 0.00 3.38 -0.47 -0.33 115.31 118.22 1ni6 h LEU 89 Ca 0.12 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1ni6 h LEU 89 Cb 0.27 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1ni6 h LEU 89 CO -0.00 0.34 -0.16 -0.33 0.09 0.00 0.00 178.44 178.38 1ni6 h GLU 90 N 0.23 0.67 -0.08 1.13 5.08 -0.43 -1.69 114.58 119.49 1ni6 h GLU 90 Ca 0.05 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1ni6 h GLU 90 Cb 0.30 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1ni6 h GLU 90 CO 0.02 0.89 0.05 1.96 -1.00 0.00 0.00 179.01 180.92 1ni6 h GLN 91 N 0.43 0.11 -0.56 2.33 1.08 -0.45 -2.49 115.11 115.55 1ni6 h GLN 91 Ca 0.07 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.28 1ni6 h GLN 91 Cb 0.69 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 28.06 1ni6 h GLN 91 CO 0.05 0.09 0.35 -0.44 -0.95 0.00 0.00 178.83 177.93 1ni6 h ASP 92 N 0.10 0.57 -0.18 1.46 3.45 -1.03 -2.52 116.42 118.26 1ni6 h ASP 92 Ca 0.03 -0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.44 1ni6 h ASP 92 Cb 0.01 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.64 1ni6 h ASP 92 CO -0.01 0.40 -0.02 -0.07 -1.57 0.00 0.00 179.24 177.98 1ni6 h LEU 93 N 0.69 0.43 -1.99 1.55 4.07 -1.19 -0.36 115.31 118.51 1ni6 h LEU 93 Ca 0.22 -0.08 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 1ni6 h LEU 93 Cb 0.00 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 41.63 1ni6 h LEU 93 CO -0.09 0.51 -0.10 0.00 -1.08 0.00 0.00 178.44 177.69 1ni6 h ALA 94 N 1.54 1.26 0.05 1.53 0.00 -1.01 0.42 119.26 123.05 1ni6 h ALA 94 Ca 0.10 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1ni6 h ALA 94 Cb 0.32 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1ni6 h ALA 94 CO 0.01 0.12 -0.76 0.35 0.00 0.00 0.00 179.25 178.97 1ni6 h PHE 95 N 0.00 0.18 0.00 0.00 3.57 -0.96 -3.04 116.94 116.69 1ni6 h PHE 95 Ca -0.00 -0.13 -0.14 0.00 3.53 0.00 0.00 57.97 61.23 1ni6 h PHE 95 Cb 0.30 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1ni6 h PHE 95 CO 0.00 1.30 -0.68 -1.49 -2.23 0.00 0.00 178.31 175.21 1ni6 h TRP 96 N -0.75 0.00 -0.10 0.41 4.06 -0.86 -3.34 115.95 115.37 1ni6 h TRP 96 Ca -0.18 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.77 1ni6 h TRP 96 Cb 1.34 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.50 1ni6 h TRP 96 CO 0.19 0.68 0.00 0.66 -3.56 0.00 0.00 178.44 176.41 1ni6 n TYR 97 N -3.39 0.19 -0.49 0.49 4.01 0.14 -5.08 117.16 113.04 1ni6 n TYR 97 Ca 0.01 -0.64 0.06 0.00 -0.16 0.00 0.00 57.90 57.17 1ni6 n TYR 97 Cb 0.76 -0.09 -0.02 0.00 -0.31 0.00 0.00 39.34 39.69 1ni6 n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ni6 n GLY 98 N -0.48 -2.15 0.31 2.72 0.00 -1.15 -3.57 105.19 100.87 1ni6 n GLY 98 Ca 0.08 -1.42 0.19 0.00 0.00 0.00 0.00 46.02 44.87 1ni6 n GLY 98 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ni6 h PRO 99 N 0.00 0.00 -0.86 1.61 0.11 -1.91 -2.51 132.00 128.43 1ni6 h PRO 99 Ca 0.01 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.63 1ni6 h PRO 99 Cb 0.41 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 31.25 1ni6 h PRO 99 CO 0.00 0.02 0.49 0.54 -0.21 0.00 0.00 178.00 178.84 1ni6 n ARG 100 N -3.31 2.32 -0.18 1.05 1.74 -1.26 -4.67 116.66 112.35 1ni6 n ARG 100 Ca -0.02 -3.16 -0.05 0.00 -0.77 0.00 0.00 57.85 53.85 1ni6 n ARG 100 Cb 0.13 -2.14 0.05 0.00 -1.02 0.00 0.00 32.46 29.48 1ni6 n ARG 100 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 1ni6 h TRP 101 N 1.27 0.57 -0.87 -1.55 5.08 -1.50 -2.50 115.95 116.45 1ni6 h TRP 101 Ca 0.54 0.02 0.23 0.00 1.08 0.00 0.00 58.89 60.76 1ni6 h TRP 101 Cb 2.14 -0.18 -0.05 0.00 -3.00 0.00 0.00 29.16 28.07 1ni6 h TRP 101 CO 1.42 0.31 0.61 1.96 -1.28 0.00 0.00 178.44 181.46 1ni6 h GLN 102 N 0.60 0.14 -0.02 0.12 4.20 -1.88 0.11 115.11 118.39 1ni6 h GLN 102 Ca 0.22 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1ni6 h GLN 102 Cb 0.06 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1ni6 h GLN 102 CO -0.12 0.09 -0.37 -0.85 -0.67 0.00 0.00 178.83 176.91 1ni6 n GLU 103 N -4.37 1.46 -0.05 1.46 0.28 -0.98 -4.51 120.64 113.92 1ni6 n GLU 103 Ca 0.18 -1.17 -0.05 0.00 -0.16 0.00 0.00 57.16 55.96 1ni6 n GLU 103 Cb 0.84 -1.46 -0.08 0.00 1.43 0.00 0.00 31.44 32.18 1ni6 n GLU 103 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1ni6 n VAL 104 N 0.24 0.71 -1.63 3.84 3.14 -0.00 -5.03 118.33 119.60 1ni6 n VAL 104 Ca 0.10 -0.43 -0.41 0.00 -2.96 0.00 0.00 64.34 60.64 1ni6 n VAL 104 Cb 0.48 -0.74 0.01 0.00 -1.06 0.00 0.00 33.84 32.54 1ni6 n VAL 104 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 1ni6 n ILE 105 N -2.42 2.56 -1.96 1.55 -5.35 0.18 -4.96 119.36 108.97 1ni6 n ILE 105 Ca -0.17 -0.50 -0.32 0.00 -0.27 0.00 0.00 62.75 61.49 1ni6 n ILE 105 Cb 0.83 -1.25 0.01 0.00 -1.74 0.00 0.00 39.64 37.49 1ni6 n ILE 105 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1ni6 s PRO 106 N -2.11 3.46 -0.43 6.28 0.04 -1.26 -5.03 135.00 135.95 1ni6 s PRO 106 Ca 0.64 0.95 0.06 0.00 0.04 0.00 0.00 61.00 62.68 1ni6 s PRO 106 Cb -0.54 -2.06 0.20 0.00 0.04 0.00 0.00 34.50 32.14 1ni6 s PRO 106 CO 0.56 -0.68 0.49 0.98 0.04 0.00 0.00 177.00 178.39 1ni6 n TYR 107 N -2.41 -1.50 -1.31 0.56 9.36 -1.26 -4.86 117.16 115.73 1ni6 n TYR 107 Ca 0.07 -2.91 -0.31 0.00 3.32 0.00 0.00 57.90 58.08 1ni6 n TYR 107 Cb 0.54 0.44 0.10 0.00 -0.63 0.00 0.00 39.34 39.79 1ni6 n TYR 107 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 1ni6 s THR 108 N -0.03 3.23 0.22 2.97 -4.23 -1.26 -4.81 115.64 111.73 1ni6 s THR 108 Ca 0.33 0.40 -0.10 0.00 -1.18 0.00 0.00 61.69 61.14 1ni6 s THR 108 Cb 0.08 -2.94 0.19 0.00 1.34 0.00 0.00 72.50 71.17 1ni6 s THR 108 CO -0.16 -0.52 1.68 -0.65 -0.54 0.00 0.00 174.62 174.43 1ni6 h PRO 109 N -1.18 0.17 -0.78 3.99 0.11 -2.01 -0.80 132.00 131.51 1ni6 h PRO 109 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ni6 h PRO 109 Cb 1.24 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1ni6 h PRO 109 CO 0.54 0.11 0.49 0.00 -0.21 0.00 0.00 178.00 178.92 1ni6 h ALA 110 N 1.55 0.99 -0.52 -0.75 0.00 -1.93 0.91 119.26 119.50 1ni6 h ALA 110 Ca 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1ni6 h ALA 110 Cb 0.54 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1ni6 h ALA 110 CO -0.49 0.43 0.30 0.52 0.00 0.00 0.00 179.25 180.01 1ni6 h MET 111 N 1.06 0.71 -0.85 0.00 2.86 -1.68 -2.22 114.93 114.81 1ni6 h MET 111 Ca 0.28 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.87 1ni6 h MET 111 Cb -0.08 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 31.39 1ni6 h MET 111 CO -0.06 0.53 0.56 1.96 1.06 0.00 0.00 176.91 180.96 1ni6 h GLN 112 N 0.70 1.06 -0.63 1.72 4.20 -0.04 -1.38 115.11 120.74 1ni6 h GLN 112 Ca 0.19 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.75 1ni6 h GLN 112 Cb 0.01 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 1ni6 h GLN 112 CO -0.03 0.70 0.07 0.00 -0.67 0.00 0.00 178.83 178.90 1ni6 h ARG 113 N 1.09 1.07 0.60 1.46 3.08 -0.44 -0.64 114.38 120.60 1ni6 h ARG 113 Ca 0.33 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1ni6 h ARG 113 Cb -0.04 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 29.91 1ni6 h ARG 113 CO -0.09 1.01 -0.29 -0.92 -1.07 0.00 0.00 179.97 178.61 1ni6 h TYR 114 N 0.98 -0.75 -0.50 3.04 5.03 -0.81 -2.22 116.97 121.73 1ni6 h TYR 114 Ca 0.19 -0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.57 1ni6 h TYR 114 Cb 0.48 0.25 -0.07 0.00 1.55 0.00 0.00 36.73 38.94 1ni6 h TYR 114 CO 0.04 -0.42 0.10 0.28 -1.32 0.00 0.00 178.16 176.83 1ni6 h VAL 115 N -0.95 0.71 -0.76 1.81 2.07 -1.23 -1.24 116.25 116.67 1ni6 h VAL 115 Ca -0.08 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.44 1ni6 h VAL 115 Cb 0.66 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 1ni6 h VAL 115 CO 0.14 0.04 0.42 0.50 0.02 0.00 0.00 177.57 178.68 1ni6 h LYS 116 N 0.23 0.70 -0.44 1.57 3.64 -1.05 -0.93 116.57 120.29 1ni6 h LYS 116 Ca 0.25 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.47 1ni6 h LYS 116 Cb 0.34 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1ni6 h LYS 116 CO -0.33 0.46 -0.21 -0.09 -2.27 0.00 0.00 179.45 177.00 1ni6 h ARG 117 N 0.72 0.89 -0.13 1.90 9.65 -0.69 -0.90 114.38 125.81 1ni6 h ARG 117 Ca 0.36 -0.37 0.03 0.00 -1.10 0.00 0.00 59.98 58.90 1ni6 h ARG 117 Cb 0.31 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.83 1ni6 h ARG 117 CO -0.24 1.01 -0.06 -0.07 2.80 0.00 0.00 179.97 183.41 1ni6 h LEU 118 N 0.77 -0.21 -0.55 3.80 4.07 -0.28 -0.33 115.31 122.58 1ni6 h LEU 118 Ca 0.10 0.05 -0.08 0.00 0.08 0.00 0.00 57.88 58.04 1ni6 h LEU 118 Cb 0.76 0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.60 1ni6 h LEU 118 CO 0.06 -0.09 0.03 0.45 -1.08 0.00 0.00 178.44 177.81 1ni6 h HIS 119 N -0.05 1.03 -0.37 1.13 3.86 -1.05 -0.40 115.15 119.29 1ni6 h HIS 119 Ca 0.07 -0.17 0.04 0.00 -1.16 0.00 0.00 60.37 59.15 1ni6 h HIS 119 Cb 0.16 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.32 1ni6 h HIS 119 CO -0.19 0.93 0.15 0.93 0.86 0.00 0.00 177.93 180.60 1ni6 h GLU 120 N 0.83 0.30 0.36 2.45 5.08 -0.90 0.18 114.58 122.88 1ni6 h GLU 120 Ca 0.16 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1ni6 h GLU 120 Cb 0.50 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1ni6 h GLU 120 CO 0.02 0.20 -0.17 0.28 -1.00 0.00 0.00 179.01 178.34 1ni6 h VAL 121 N 0.31 0.65 -0.47 3.13 2.07 -0.86 -1.28 116.25 119.81 1ni6 h VAL 121 Ca 0.17 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 1ni6 h VAL 121 Cb 0.13 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1ni6 h VAL 121 CO -0.16 0.00 0.23 1.23 0.02 0.00 0.00 177.57 178.89 1ni6 h GLY 122 N -0.49 0.69 0.21 2.17 0.00 -0.76 0.19 103.07 105.08 1ni6 h GLY 122 Ca -0.05 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 1ni6 h GLY 122 CO 0.08 0.30 -0.01 3.21 0.00 0.00 0.00 176.54 180.12 1ni6 h ARG 123 N 0.65 -0.02 -0.00 4.80 3.08 -0.51 -3.38 114.38 118.99 1ni6 h ARG 123 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1ni6 h ARG 123 Cb 0.06 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1ni6 h ARG 123 CO -0.02 0.71 -0.20 0.25 -1.07 0.00 0.00 179.97 179.64 1ni6 n THR 124 N -4.73 0.00 -2.88 2.04 -2.24 -0.49 -4.76 114.28 101.21 1ni6 n THR 124 Ca -0.09 -0.40 -0.13 0.00 -2.27 0.00 0.00 64.05 61.17 1ni6 n THR 124 Cb 0.36 1.03 0.01 0.00 -2.10 0.00 0.00 70.33 69.63 1ni6 n THR 124 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ni6 n GLU 125 N -0.82 1.07 0.13 -0.78 1.02 0.52 -4.95 120.64 116.82 1ni6 n GLU 125 Ca 0.02 -3.19 0.19 0.00 -0.02 0.00 0.00 57.16 54.16 1ni6 n GLU 125 Cb 0.10 -1.37 0.77 0.00 -0.02 0.00 0.00 31.44 30.91 1ni6 n GLU 125 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1ni6 h PRO 126 N 2.96 0.00 0.00 3.49 0.13 -1.30 -0.69 132.00 136.59 1ni6 h PRO 126 Ca -0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1ni6 h PRO 126 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1ni6 h PRO 126 CO 0.46 0.00 -0.00 0.93 -0.23 0.00 0.00 178.00 179.16 1ni6 h GLU 127 N 0.00 0.00 -0.02 0.86 3.07 -1.87 -1.02 114.58 115.60 1ni6 h GLU 127 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 1ni6 h GLU 127 Cb 0.94 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 1ni6 h GLU 127 CO -0.00 0.00 -0.14 1.28 -1.40 0.00 0.00 179.01 178.76 1ni6 n LEU 128 N -3.13 2.08 -0.32 1.33 4.77 -0.27 -4.35 117.00 117.11 1ni6 n LEU 128 Ca -0.02 -0.70 -0.01 0.00 -0.03 0.00 0.00 56.01 55.25 1ni6 n LEU 128 Cb 0.13 -0.02 0.11 0.00 -2.33 0.00 0.00 43.42 41.31 1ni6 n LEU 128 CO 0.22 0.36 1.22 0.25 -1.33 0.00 0.00 177.39 178.11 1ni6 h LEU 129 N 3.04 0.92 -2.01 2.23 5.85 -1.30 -1.88 115.31 122.16 1ni6 h LEU 129 Ca 0.00 -0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.87 1ni6 h LEU 129 Cb 0.73 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1ni6 h LEU 129 CO 0.00 0.63 0.41 1.62 -0.34 0.00 0.00 178.44 180.76 1ni6 h VAL 130 N 1.08 0.63 -0.83 1.05 3.04 -1.77 -0.15 116.25 119.29 1ni6 h VAL 130 Ca 0.35 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 66.02 1ni6 h VAL 130 Cb 0.02 0.70 -0.04 0.00 -2.01 0.00 0.00 31.29 29.97 1ni6 h VAL 130 CO -0.12 0.00 0.46 0.00 -1.01 0.00 0.00 177.57 176.90 1ni6 h ALA 131 N 1.67 1.07 0.05 3.17 0.00 -1.64 -0.95 119.26 122.63 1ni6 h ALA 131 Ca 0.25 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1ni6 h ALA 131 Cb 1.08 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1ni6 h ALA 131 CO -0.00 0.57 -0.57 0.45 0.00 0.00 0.00 179.25 179.70 1ni6 h HIS 132 N 1.16 0.47 -0.34 0.00 -0.00 -1.16 -3.11 115.15 112.17 1ni6 h HIS 132 Ca 0.29 -0.29 0.02 0.00 -0.00 0.00 0.00 60.37 60.39 1ni6 h HIS 132 Cb 0.02 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.36 1ni6 h HIS 132 CO 0.00 1.16 0.17 0.00 -0.00 0.00 0.00 177.93 179.26 1ni6 h ALA 133 N 0.20 0.42 0.45 2.45 0.00 -1.32 0.16 119.26 121.62 1ni6 h ALA 133 Ca -0.09 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ni6 h ALA 133 Cb 1.36 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1ni6 h ALA 133 CO 0.11 -0.20 -0.33 -0.92 0.00 0.00 0.00 179.25 177.91 1ni6 h TYR 134 N 0.36 -0.89 -0.52 0.00 3.20 -1.31 0.25 116.97 118.07 1ni6 h TYR 134 Ca 0.14 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 1ni6 h TYR 134 Cb 0.05 0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1ni6 h TYR 134 CO -0.10 -0.49 0.09 1.79 -1.64 0.00 0.00 178.16 177.81 1ni6 h THR 135 N -0.77 1.25 0.46 1.81 1.35 -1.45 -2.24 112.91 113.32 1ni6 h THR 135 Ca -0.04 -0.93 -0.02 0.00 -0.55 0.00 0.00 66.41 64.87 1ni6 h THR 135 Cb 0.65 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1ni6 h THR 135 CO 0.01 0.33 -0.22 0.03 -0.25 0.00 0.00 175.52 175.42 1ni6 h ARG 136 N 0.74 -0.59 0.30 4.72 2.47 -0.66 -2.32 114.38 119.03 1ni6 h ARG 136 Ca 0.16 0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.91 1ni6 h ARG 136 Cb 0.39 0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.84 1ni6 h ARG 136 CO 0.01 -0.40 -0.22 1.88 0.56 0.00 0.00 179.97 181.81 1ni6 h TYR 137 N -0.99 -0.59 -0.97 3.04 0.05 -1.05 0.56 116.97 117.03 1ni6 h TYR 137 Ca -0.06 -0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.78 1ni6 h TYR 137 Cb 0.47 0.22 -0.06 0.00 1.01 0.00 0.00 36.73 38.37 1ni6 h TYR 137 CO 0.02 -0.31 0.63 -0.07 -1.05 0.00 0.00 178.16 177.38 1ni6 h LEU 138 N -0.49 1.00 0.26 3.88 -0.00 -1.52 0.27 115.31 118.71 1ni6 h LEU 138 Ca -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.84 1ni6 h LEU 138 Cb 0.40 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.85 1ni6 h LEU 138 CO 0.02 0.65 -0.19 1.23 -0.00 0.00 0.00 178.44 180.15 1ni6 h GLY 139 N 1.14 -0.45 1.98 0.83 0.00 -1.33 0.06 103.07 105.30 1ni6 h GLY 139 Ca 0.41 0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.86 1ni6 h GLY 139 CO -0.16 -0.19 -0.41 -0.55 0.00 0.00 0.00 176.54 175.24 1ni6 h ASP 140 N -0.45 0.02 -0.29 0.19 3.32 -0.33 -2.34 116.42 116.53 1ni6 h ASP 140 Ca -0.02 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 1ni6 h ASP 140 Cb 0.39 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1ni6 h ASP 140 CO -0.00 0.43 -0.10 0.25 -1.72 0.00 0.00 179.24 178.10 1ni6 h LEU 141 N 0.02 0.60 -0.73 1.55 7.12 -0.23 -1.13 115.31 122.51 1ni6 h LEU 141 Ca -0.00 -0.39 -0.13 0.00 0.13 0.00 0.00 57.88 57.49 1ni6 h LEU 141 Cb 0.73 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.69 1ni6 h LEU 141 CO 0.05 0.85 -0.53 0.28 -0.13 0.00 0.00 178.44 178.96 1ni6 h SER 142 N 0.35 0.31 -0.35 1.25 0.02 -0.81 -3.29 113.55 111.03 1ni6 h SER 142 Ca 0.07 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1ni6 h SER 142 Cb 0.60 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1ni6 h SER 142 CO 0.04 0.79 0.00 0.61 -1.14 0.00 0.00 176.83 177.12 1ni6 n GLY 143 N 0.12 2.03 0.30 -3.77 0.00 -0.90 -4.71 105.19 98.26 1ni6 n GLY 143 Ca -0.02 -0.48 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 1ni6 n GLY 143 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ni6 h GLY 144 N 2.73 -0.73 0.00 -0.02 0.00 -1.27 -2.80 103.07 100.98 1ni6 h GLY 144 Ca 0.00 0.27 0.13 0.00 0.00 0.00 0.00 47.33 47.73 1ni6 h GLY 144 CO 0.00 -0.27 0.07 1.46 0.00 0.00 0.00 176.54 177.80 1ni6 h GLN 145 N -0.87 0.18 -0.82 4.80 1.08 -1.82 0.50 115.11 118.16 1ni6 h GLN 145 Ca -0.07 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1ni6 h GLN 145 Cb 0.60 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.95 1ni6 h GLN 145 CO 0.12 0.12 0.52 0.28 -0.95 0.00 0.00 178.83 178.91 1ni6 h VAL 146 N 0.18 1.22 -0.08 -0.54 2.07 -1.88 -1.71 116.25 115.51 1ni6 h VAL 146 Ca 0.34 -0.44 -0.18 0.00 0.82 0.00 0.00 66.70 67.23 1ni6 h VAL 146 Cb 0.54 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1ni6 h VAL 146 CO -0.49 0.22 -0.71 -0.07 0.02 0.00 0.00 177.57 176.54 1ni6 h LEU 147 N 1.11 0.47 -0.70 2.57 3.38 -0.84 -2.64 115.31 118.66 1ni6 h LEU 147 Ca 0.30 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1ni6 h LEU 147 Cb -0.08 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1ni6 h LEU 147 CO -0.06 1.03 0.38 0.50 0.09 0.00 0.00 178.44 180.39 1ni6 h LYS 148 N 0.27 0.98 -0.07 1.13 3.11 0.32 -0.85 116.57 121.46 1ni6 h LYS 148 Ca -0.03 -0.12 -0.00 0.00 -2.81 0.00 0.00 60.65 57.69 1ni6 h LYS 148 Cb 1.28 -0.19 -0.00 0.00 -1.00 0.00 0.00 32.23 32.31 1ni6 h LYS 148 CO 0.12 0.73 0.03 0.87 -2.81 0.00 0.00 179.45 178.40 1ni6 h LYS 149 N 0.96 0.11 -0.51 1.90 1.57 -1.30 -1.78 116.57 117.53 1ni6 h LYS 149 Ca 0.25 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.08 1ni6 h LYS 149 Cb 0.04 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 1ni6 h LYS 149 CO -0.04 0.23 0.19 0.82 -0.57 0.00 0.00 179.45 180.08 1ni6 h ILE 150 N -0.03 0.83 -0.22 1.86 2.04 -1.18 -1.08 117.51 119.73 1ni6 h ILE 150 Ca 0.02 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 1ni6 h ILE 150 Cb 0.16 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1ni6 h ILE 150 CO -0.00 0.07 -0.08 0.00 0.00 0.00 0.00 178.15 178.13 1ni6 h ALA 151 N 1.34 1.45 -0.24 1.87 0.00 -1.05 -1.55 119.26 121.08 1ni6 h ALA 151 Ca 0.25 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1ni6 h ALA 151 Cb 0.26 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ni6 h ALA 151 CO -0.24 0.38 -0.31 1.96 0.00 0.00 0.00 179.25 181.04 1ni6 h GLN 152 N 0.33 0.64 0.00 0.00 4.20 -0.37 -1.51 115.11 118.40 1ni6 h GLN 152 Ca 0.07 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.42 1ni6 h GLN 152 Cb 0.36 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1ni6 h GLN 152 CO 0.02 0.97 -0.03 0.36 -0.67 0.00 0.00 178.83 179.48 1ni6 n LYS 153 N -4.29 0.06 0.00 1.46 2.85 -0.51 -3.48 118.16 114.25 1ni6 n LYS 153 Ca -0.05 0.05 0.02 0.00 -1.05 0.00 0.00 58.31 57.28 1ni6 n LYS 153 Cb 0.48 -1.57 0.01 0.00 -0.65 0.00 0.00 35.03 33.31 1ni6 n LYS 153 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ni6 n ALA 154 N -1.57 2.49 -0.02 0.58 0.00 -0.60 -4.68 120.51 116.71 1ni6 n ALA 154 Ca 0.07 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1ni6 n ALA 154 Cb 0.36 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.69 1ni6 n ALA 154 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ni6 n LEU 155 N 0.18 0.48 -3.43 0.00 4.77 -0.57 -4.84 117.00 113.60 1ni6 n LEU 155 Ca 0.02 -0.72 -0.31 0.00 -0.03 0.00 0.00 56.01 54.97 1ni6 n LEU 155 Cb 0.09 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1ni6 n LEU 155 CO 0.02 0.12 -0.31 0.47 -1.33 0.00 0.00 177.39 176.37 1ni6 n ASP 156 N -0.47 -5.78 -4.92 -1.43 9.92 -1.23 -4.95 116.55 107.69 1ni6 n ASP 156 Ca 0.00 -0.03 -0.27 0.00 -0.53 0.00 0.00 54.79 53.96 1ni6 n ASP 156 Cb 0.01 -1.79 -0.03 0.00 -0.64 0.00 0.00 41.12 38.67 1ni6 n ASP 156 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1ni6 s LEU 157 N -2.20 4.07 0.00 0.64 1.02 -1.26 -5.10 118.68 115.84 1ni6 s LEU 157 Ca 0.31 0.61 -0.16 0.00 0.02 0.00 0.00 54.13 54.91 1ni6 s LEU 157 Cb -0.03 -3.43 0.22 0.00 0.02 0.00 0.00 46.19 42.97 1ni6 s LEU 157 CO 0.72 -0.20 1.07 -2.65 0.02 0.00 0.00 176.35 175.32 1ni6 n PRO 158 N -1.10 -1.74 -1.05 1.29 -0.02 -1.26 -4.94 135.00 126.18 1ni6 n PRO 158 Ca -0.03 -1.68 -0.23 0.00 -2.02 0.00 0.00 63.50 59.55 1ni6 n PRO 158 Cb 0.54 -1.26 0.10 0.00 -0.02 0.00 0.00 33.50 32.86 1ni6 n PRO 158 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1ni6 n SER 159 N -4.05 5.40 0.00 2.55 3.41 -1.26 -4.40 113.62 115.27 1ni6 n SER 159 Ca 0.14 -3.36 0.14 0.00 -0.26 0.00 0.00 58.87 55.53 1ni6 n SER 159 Cb 0.50 -0.89 0.78 0.00 -0.26 0.00 0.00 64.21 64.34 1ni6 n SER 159 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ni6 n SER 160 N -0.57 0.00 -3.80 4.04 3.41 -1.26 -4.93 113.62 110.50 1ni6 n SER 160 Ca 0.48 -0.44 -0.28 0.00 -0.26 0.00 0.00 58.87 58.37 1ni6 n SER 160 Cb 1.01 -0.17 0.05 0.00 -0.26 0.00 0.00 64.21 64.84 1ni6 n SER 160 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ni6 n GLY 161 N 1.03 -0.51 3.45 5.00 0.00 -1.26 -4.98 105.19 107.92 1ni6 n GLY 161 Ca 0.17 0.21 -0.12 0.00 0.00 0.00 0.00 46.02 46.28 1ni6 n GLY 161 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ni6 s GLU 162 N -6.49 1.16 0.00 1.61 -1.05 -1.26 -4.99 118.70 107.67 1ni6 s GLU 162 Ca 0.62 -0.35 0.00 0.00 -0.15 0.00 0.00 54.97 55.08 1ni6 s GLU 162 Cb -0.30 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 33.93 1ni6 s GLU 162 CO 0.80 -0.49 0.00 0.41 0.95 0.00 0.00 175.26 176.92 1ni6 n GLY 163 N -0.20 1.68 0.56 -3.83 0.00 -1.26 -4.96 105.19 97.18 1ni6 n GLY 163 Ca -0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.92 1ni6 n GLY 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ni6 n LEU 164 N 0.00 1.43 -0.25 0.99 4.77 -1.26 -4.81 117.00 117.87 1ni6 n LEU 164 Ca 0.00 -2.38 0.11 0.00 -0.03 0.00 0.00 56.01 53.71 1ni6 n LEU 164 Cb 0.00 -0.23 0.38 0.00 -2.33 0.00 0.00 43.42 41.23 1ni6 n LEU 164 CO 0.00 0.65 1.22 0.00 -1.33 0.00 0.00 177.39 177.93 1ni6 h ALA 165 N 0.36 1.82 -0.92 -1.18 0.00 -1.93 -1.75 119.26 115.67 1ni6 h ALA 165 Ca -0.04 0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.09 1ni6 h ALA 165 Cb 1.29 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 1ni6 h ALA 165 CO 0.02 -0.04 0.61 0.35 0.00 0.00 0.00 179.25 180.19 1ni6 h PHE 166 N 0.69 0.53 -0.00 0.00 3.57 -1.88 -1.18 116.94 118.67 1ni6 h PHE 166 Ca 0.42 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.94 1ni6 h PHE 166 Cb 0.64 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1ni6 h PHE 166 CO -0.00 0.13 0.00 1.19 -2.23 0.00 0.00 178.31 177.40 1ni6 n PHE 167 N -4.51 0.00 -3.85 0.41 3.72 -0.66 -4.69 117.46 107.89 1ni6 n PHE 167 Ca 0.20 -0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.38 1ni6 n PHE 167 Cb 0.73 -0.01 -0.17 0.00 -0.94 0.00 0.00 39.48 39.09 1ni6 n PHE 167 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1ni6 s THR 168 N -1.90 0.36 -0.72 4.37 2.01 -0.45 -4.58 115.64 114.72 1ni6 s THR 168 Ca 0.00 0.09 -0.14 0.00 0.31 0.00 0.00 61.69 61.95 1ni6 s THR 168 Cb 0.00 -0.49 0.19 0.00 0.01 0.00 0.00 72.50 72.21 1ni6 s THR 168 CO 0.00 0.24 0.67 -0.36 -0.69 0.00 0.00 174.62 174.47 1ni6 s PHE 169 N 1.70 3.58 0.53 4.92 0.40 -1.26 -4.93 117.98 122.93 1ni6 s PHE 169 Ca 0.01 -1.77 0.35 0.00 -0.60 0.00 0.00 56.93 54.92 1ni6 s PHE 169 Cb -0.13 -3.80 1.93 0.00 0.51 0.00 0.00 43.02 41.54 1ni6 s PHE 169 CO -0.04 -1.00 2.23 -1.00 0.70 0.00 0.00 175.22 176.12 1ni6 h PRO 170 N 8.15 0.00 -0.48 0.24 0.13 -1.93 -2.56 132.00 135.55 1ni6 h PRO 170 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1ni6 h PRO 170 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1ni6 h PRO 170 CO 0.85 0.03 0.00 0.09 -0.23 0.00 0.00 178.00 178.74 1ni6 n ASN 171 N -3.43 2.74 -3.95 1.44 5.03 -1.26 -4.69 115.26 111.14 1ni6 n ASN 171 Ca -0.02 -1.97 -0.31 0.00 0.87 0.00 0.00 54.58 53.15 1ni6 n ASN 171 Cb 0.14 -0.32 -0.15 0.00 -1.02 0.00 0.00 39.78 38.42 1ni6 n ASN 171 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ni6 s ILE 172 N -1.36 1.75 0.17 2.41 1.01 -0.96 -4.68 121.20 119.54 1ni6 s ILE 172 Ca 0.35 -1.64 -0.03 0.00 0.00 0.00 0.00 60.65 59.33 1ni6 s ILE 172 Cb 0.18 -2.11 -0.10 0.00 0.01 0.00 0.00 42.46 40.45 1ni6 s ILE 172 CO 0.24 -0.32 1.44 0.00 0.00 0.00 0.00 174.94 176.31 1ni6 h ALA 173 N 7.85 0.60 -3.39 9.38 0.00 -1.83 -3.43 119.26 128.44 1ni6 h ALA 173 Ca -0.13 -0.58 -0.55 0.00 0.00 0.00 0.00 54.91 53.64 1ni6 h ALA 173 Cb 1.04 -0.06 -0.39 0.00 0.00 0.00 0.00 17.79 18.38 1ni6 h ALA 173 CO 0.46 0.74 -0.78 0.45 0.00 0.00 0.00 179.25 180.12 1ni6 s SER 174 N -6.97 3.10 0.21 0.00 0.15 -1.26 -5.00 113.70 103.93 1ni6 s SER 174 Ca -0.06 -0.85 -0.10 0.00 0.70 0.00 0.00 55.95 55.63 1ni6 s SER 174 Cb 0.10 -0.84 0.18 0.00 -1.71 0.00 0.00 66.02 63.76 1ni6 s SER 174 CO 0.84 -0.25 1.87 0.00 1.20 0.00 0.00 173.24 176.90 1ni6 h ALA 175 N 8.13 0.96 -0.21 5.45 0.00 -1.97 -1.05 119.26 130.58 1ni6 h ALA 175 Ca -0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1ni6 h ALA 175 Cb 1.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1ni6 h ALA 175 CO 0.37 0.32 0.10 1.15 0.00 0.00 0.00 179.25 181.19 1ni6 h THR 176 N 0.97 1.13 -0.15 0.00 2.02 -1.99 -1.04 112.91 113.86 1ni6 h THR 176 Ca 0.29 -0.36 -0.09 0.00 0.77 0.00 0.00 66.41 67.01 1ni6 h THR 176 Cb -0.06 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1ni6 h THR 176 CO -0.08 0.12 -0.31 0.11 0.37 0.00 0.00 175.52 175.73 1ni6 h LYS 177 N 0.21 0.29 -0.34 6.66 1.57 -1.94 -2.37 116.57 120.65 1ni6 h LYS 177 Ca 0.07 -0.11 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 1ni6 h LYS 177 Cb 0.11 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1ni6 h LYS 177 CO -0.01 0.58 -0.44 0.35 -0.57 0.00 0.00 179.45 179.36 1ni6 h PHE 178 N 0.25 1.06 -0.62 -1.35 3.57 -0.98 -2.42 116.94 116.46 1ni6 h PHE 178 Ca 0.03 -0.33 0.01 0.00 3.53 0.00 0.00 57.97 61.21 1ni6 h PHE 178 Cb 0.68 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 1ni6 h PHE 178 CO 0.01 1.15 0.40 0.87 -2.23 0.00 0.00 178.31 178.52 1ni6 h LYS 179 N 0.70 0.79 -0.48 1.11 1.57 -1.00 0.44 116.57 119.70 1ni6 h LYS 179 Ca 0.05 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1ni6 h LYS 179 Cb 1.03 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.12 1ni6 h LYS 179 CO 0.10 0.52 0.27 1.96 -0.57 0.00 0.00 179.45 181.74 1ni6 h GLN 180 N 0.82 0.52 0.16 3.15 4.20 -1.28 -0.37 115.11 122.31 1ni6 h GLN 180 Ca 0.23 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 1ni6 h GLN 180 Cb -0.07 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.60 1ni6 h GLN 180 CO -0.06 0.35 -0.08 1.25 -0.67 0.00 0.00 178.83 179.62 1ni6 h LEU 181 N 0.54 -0.18 -1.07 1.46 5.85 -0.90 -2.46 115.31 118.55 1ni6 h LEU 181 Ca 0.20 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1ni6 h LEU 181 Cb 0.05 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 1ni6 h LEU 181 CO -0.11 -0.05 0.62 0.22 -0.34 0.00 0.00 178.44 178.79 1ni6 h TYR 182 N -0.30 1.15 -0.48 1.25 5.03 -0.70 -1.44 116.97 121.47 1ni6 h TYR 182 Ca -0.02 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.29 1ni6 h TYR 182 Cb 0.24 -0.38 -0.02 0.00 1.55 0.00 0.00 36.73 38.12 1ni6 h TYR 182 CO -0.04 0.63 0.18 0.00 -1.32 0.00 0.00 178.16 177.60 1ni6 h ARG 183 N 1.15 0.73 -0.54 1.82 3.08 -0.92 -0.23 114.38 119.47 1ni6 h ARG 183 Ca 0.40 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.31 1ni6 h ARG 183 Cb 0.11 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1ni6 h ARG 183 CO -0.14 0.67 0.33 1.03 -1.07 0.00 0.00 179.97 180.79 1ni6 h SER 184 N 0.64 0.64 -0.16 7.04 0.87 -0.90 0.20 113.55 121.88 1ni6 h SER 184 Ca 0.16 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1ni6 h SER 184 Cb 0.22 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1ni6 h SER 184 CO -0.01 0.51 0.08 0.03 -0.53 0.00 0.00 176.83 176.91 1ni6 h ARG 185 N 0.73 0.22 -0.41 2.24 2.47 -1.08 -1.88 114.38 116.67 1ni6 h ARG 185 Ca 0.19 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.84 1ni6 h ARG 185 Cb -0.02 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.23 1ni6 h ARG 185 CO -0.04 0.23 0.07 1.98 0.56 0.00 0.00 179.97 182.78 1ni6 h MET 186 N 0.15 0.62 0.00 0.04 4.05 -0.76 -1.61 114.93 117.41 1ni6 h MET 186 Ca 0.05 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1ni6 h MET 186 Cb 0.08 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 30.78 1ni6 h MET 186 CO -0.01 0.58 0.00 0.09 0.23 0.00 0.00 176.91 177.81 1ni6 n ASN 187 N -4.30 0.00 -0.00 1.39 3.02 0.68 -2.64 115.26 113.41 1ni6 n ASN 187 Ca 0.02 -0.56 0.09 0.00 -0.03 0.00 0.00 54.58 54.10 1ni6 n ASN 187 Cb 0.21 -0.13 -0.12 0.00 -0.61 0.00 0.00 39.78 39.14 1ni6 n ASN 187 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ni6 n SER 188 N -1.13 0.83 -4.72 6.41 7.64 -0.62 -4.81 113.62 117.21 1ni6 n SER 188 Ca 0.18 -0.79 -0.42 0.00 1.01 0.00 0.00 58.87 58.85 1ni6 n SER 188 Cb 0.16 1.16 -0.02 0.00 -1.01 0.00 0.00 64.21 64.49 1ni6 n SER 188 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ni6 n LEU 189 N -1.58 4.03 -4.73 -3.43 4.77 -1.08 -4.96 117.00 110.02 1ni6 n LEU 189 Ca 0.02 1.11 -0.40 0.00 -0.03 0.00 0.00 56.01 56.71 1ni6 n LEU 189 Cb 0.34 -1.56 -0.04 0.00 -2.33 0.00 0.00 43.42 39.83 1ni6 n LEU 189 CO 0.40 0.07 0.51 -0.70 -1.33 0.00 0.00 177.39 176.34 1ni6 s GLU 190 N 0.18 4.51 -0.28 3.23 2.12 -1.26 -5.04 118.70 122.16 1ni6 s GLU 190 Ca 0.69 1.12 -0.24 0.00 0.36 0.00 0.00 54.97 56.90 1ni6 s GLU 190 Cb -0.53 -3.41 0.11 0.00 0.26 0.00 0.00 34.13 30.57 1ni6 s GLU 190 CO 0.42 0.15 0.97 0.00 -0.54 0.00 0.00 175.26 176.26 1ni6 s MET 191 N 0.41 0.56 0.88 4.30 0.23 -1.26 -4.96 119.30 119.46 1ni6 s MET 191 Ca 0.42 0.68 -0.12 0.00 -1.03 0.00 0.00 55.69 55.64 1ni6 s MET 191 Cb -0.20 0.26 0.12 0.00 -1.53 0.00 0.00 34.83 33.48 1ni6 s MET 191 CO 0.23 -0.07 1.10 0.95 -2.03 0.00 0.00 175.02 175.20 1ni6 s THR 192 N 0.33 2.65 0.36 3.16 -4.23 -1.26 -4.71 115.64 111.94 1ni6 s THR 192 Ca 0.02 0.21 0.07 0.00 -1.18 0.00 0.00 61.69 60.81 1ni6 s THR 192 Cb -0.05 -2.80 0.30 0.00 1.34 0.00 0.00 72.50 71.29 1ni6 s THR 192 CO -0.06 -0.28 1.93 -0.65 -0.54 0.00 0.00 174.62 175.02 1ni6 h PRO 193 N -1.44 0.73 0.04 3.99 0.11 -1.98 0.19 132.00 133.64 1ni6 h PRO 193 Ca -0.49 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 1ni6 h PRO 193 Cb 1.29 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ni6 h PRO 193 CO 0.57 0.48 -0.02 0.00 -0.21 0.00 0.00 178.00 178.82 1ni6 h ALA 194 N 1.60 -0.05 -0.50 -0.75 0.00 -1.99 -0.24 119.26 117.33 1ni6 h ALA 194 Ca 0.36 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ni6 h ALA 194 Cb 0.42 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1ni6 h ALA 194 CO -0.14 -0.34 0.32 0.28 0.00 0.00 0.00 179.25 179.37 1ni6 h VAL 195 N -0.44 1.14 -0.96 0.00 2.07 -1.81 -0.29 116.25 115.96 1ni6 h VAL 195 Ca -0.01 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.28 1ni6 h VAL 195 Cb 0.40 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 1ni6 h VAL 195 CO 0.01 0.14 0.62 -0.09 0.02 0.00 0.00 177.57 178.27 1ni6 h ARG 196 N 0.67 1.15 -0.39 1.57 2.43 -0.59 0.39 114.38 119.60 1ni6 h ARG 196 Ca 0.18 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.18 1ni6 h ARG 196 Cb -0.05 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.22 1ni6 h ARG 196 CO -0.04 0.76 -0.17 0.37 -1.51 0.00 0.00 179.97 179.39 1ni6 h GLN 197 N 1.18 0.72 -0.20 0.20 5.75 -0.42 0.24 115.11 122.59 1ni6 h GLN 197 Ca 0.39 -0.26 -0.14 0.00 -0.15 0.00 0.00 58.65 58.50 1ni6 h GLN 197 Cb 0.06 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 1ni6 h GLN 197 CO -0.14 0.85 -0.47 0.00 -2.65 0.00 0.00 178.83 176.42 1ni6 h ARG 198 N 0.64 0.51 -0.09 1.69 3.08 0.40 -1.69 114.38 118.93 1ni6 h ARG 198 Ca 0.10 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 1ni6 h ARG 198 Cb 0.64 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 1ni6 h ARG 198 CO 0.05 0.87 0.03 0.28 -1.07 0.00 0.00 179.97 180.13 1ni6 h VAL 199 N 0.41 1.16 -0.49 2.04 2.07 0.26 0.17 116.25 121.86 1ni6 h VAL 199 Ca 0.02 -0.48 0.08 0.00 0.82 0.00 0.00 66.70 67.15 1ni6 h VAL 199 Cb 0.97 1.32 -0.07 0.00 -1.52 0.00 0.00 31.29 32.00 1ni6 h VAL 199 CO 0.09 0.14 0.09 0.40 0.02 0.00 0.00 177.57 178.30 1ni6 h ILE 200 N -0.04 0.71 -0.70 4.57 1.08 -0.83 -0.64 117.51 121.66 1ni6 h ILE 200 Ca 0.03 -0.08 -0.06 0.00 -0.39 0.00 0.00 64.86 64.36 1ni6 h ILE 200 Cb 0.19 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.39 1ni6 h ILE 200 CO -0.00 0.04 0.20 -0.08 -0.69 0.00 0.00 178.15 177.61 1ni6 h GLU 201 N 0.22 1.10 -0.13 2.37 4.57 -1.04 -1.68 114.58 120.00 1ni6 h GLU 201 Ca 0.25 -0.25 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1ni6 h GLU 201 Cb 0.34 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 1ni6 h GLU 201 CO -0.33 0.96 -0.05 1.49 -1.18 0.00 0.00 179.01 179.90 1ni6 h GLU 202 N 1.04 0.19 -0.67 1.92 4.57 0.18 0.25 114.58 122.06 1ni6 h GLU 202 Ca 0.22 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.33 1ni6 h GLU 202 Cb 0.34 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 1ni6 h GLU 202 CO -0.00 0.26 0.26 0.00 -1.18 0.00 0.00 179.01 178.35 1ni6 h ALA 203 N 1.77 0.87 -0.21 2.92 0.00 -0.23 0.93 119.26 125.30 1ni6 h ALA 203 Ca 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1ni6 h ALA 203 Cb 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1ni6 h ALA 203 CO 0.01 0.49 0.09 0.87 0.00 0.00 0.00 179.25 180.71 1ni6 h LYS 204 N 0.95 0.32 -0.63 0.00 1.57 -0.56 -2.48 116.57 115.73 1ni6 h LYS 204 Ca 0.22 -0.06 0.13 0.00 -1.87 0.00 0.00 60.65 59.08 1ni6 h LYS 204 Cb 0.21 -0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.37 1ni6 h LYS 204 CO -0.02 0.37 0.09 1.15 -0.57 0.00 0.00 179.45 180.47 1ni6 h THR 205 N 0.20 0.56 -0.12 -0.16 2.02 -0.00 -0.67 112.91 114.73 1ni6 h THR 205 Ca 0.07 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.23 1ni6 h THR 205 Cb 0.16 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 66.86 1ni6 h THR 205 CO -0.01 0.04 -0.21 0.00 0.37 0.00 0.00 175.52 175.71 1ni6 h ALA 206 N 1.54 -0.17 -0.81 6.16 0.00 -0.39 -0.88 119.26 124.70 1ni6 h ALA 206 Ca 0.34 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1ni6 h ALA 206 Cb 0.54 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1ni6 h ALA 206 CO -0.47 -0.67 0.53 0.74 0.00 0.00 0.00 179.25 179.37 1ni6 h PHE 207 N -0.27 1.04 -0.19 0.00 -1.00 -1.00 -2.33 116.94 113.18 1ni6 h PHE 207 Ca 0.10 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.90 1ni6 h PHE 207 Cb 0.42 -0.35 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 1ni6 h PHE 207 CO -0.31 0.67 0.12 -0.07 -1.61 0.00 0.00 178.31 177.10 1ni6 h LEU 208 N 1.11 0.23 -1.45 1.54 3.38 -0.72 0.90 115.31 120.29 1ni6 h LEU 208 Ca 0.30 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.33 1ni6 h LEU 208 Cb -0.10 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 1ni6 h LEU 208 CO -0.06 0.18 0.47 -0.07 0.09 0.00 0.00 178.44 179.06 1ni6 h LEU 209 N 0.25 0.56 -0.27 1.67 3.38 -0.89 0.80 115.31 120.82 1ni6 h LEU 209 Ca 0.07 0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.84 1ni6 h LEU 209 Cb -0.01 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1ni6 h LEU 209 CO -0.01 0.34 -0.76 0.78 0.09 0.00 0.00 178.44 178.88 1ni6 h ASN 210 N 0.63 0.74 -0.19 -0.43 2.35 -0.84 -2.10 115.58 115.73 1ni6 h ASN 210 Ca 0.33 -0.49 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 1ni6 h ASN 210 Cb 0.45 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1ni6 h ASN 210 CO -0.11 1.26 0.09 0.40 -1.65 0.00 0.00 177.43 177.42 1ni6 h ILE 211 N 0.42 1.14 0.00 2.81 2.04 0.69 -0.92 117.51 123.69 1ni6 h ILE 211 Ca -0.04 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 1ni6 h ILE 211 Cb 1.37 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1ni6 h ILE 211 CO 0.15 0.14 -0.09 1.56 0.00 0.00 0.00 178.15 179.90 1ni6 h GLN 212 N 0.18 0.00 0.10 2.37 4.20 -0.90 -2.10 115.11 118.95 1ni6 h GLN 212 Ca 0.07 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.53 1ni6 h GLN 212 Cb 0.13 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.94 1ni6 h GLN 212 CO -0.01 0.09 -1.01 1.25 -0.67 0.00 0.00 178.83 178.48 1ni6 h LEU 213 N 0.00 0.71 -0.22 1.46 5.85 -0.80 -2.86 115.31 119.45 1ni6 h LEU 213 Ca -0.00 -0.84 -0.01 0.00 0.84 0.00 0.00 57.88 57.87 1ni6 h LEU 213 Cb 0.23 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1ni6 h LEU 213 CO 0.01 1.48 0.11 -0.26 -0.34 0.00 0.00 178.44 179.44 1ni6 h PHE 214 N 0.05 0.30 -0.93 1.25 0.04 -0.73 -0.93 116.94 115.98 1ni6 h PHE 214 Ca -0.16 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.65 1ni6 h PHE 214 Cb 1.73 -0.10 -0.06 0.00 2.20 0.00 0.00 35.95 39.72 1ni6 h PHE 214 CO 0.14 0.29 0.60 0.93 -0.60 0.00 0.00 178.31 179.67 1ni6 h GLU 215 N 0.23 1.09 -0.47 1.51 5.08 -1.50 -0.99 114.58 119.54 1ni6 h GLU 215 Ca 0.08 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1ni6 h GLU 215 Cb 0.09 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1ni6 h GLU 215 CO -0.01 0.72 0.10 1.49 -1.00 0.00 0.00 179.01 180.32 1ni6 h GLU 216 N 1.12 0.76 -0.74 2.33 4.81 -1.24 -2.50 114.58 119.13 1ni6 h GLU 216 Ca 0.39 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1ni6 h GLU 216 Cb 0.09 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1ni6 h GLU 216 CO -0.15 0.76 0.47 -0.07 -0.73 0.00 0.00 179.01 179.29 1ni6 h LEU 217 N 0.64 0.87 -0.42 1.64 3.38 -0.41 -2.21 115.31 118.79 1ni6 h LEU 217 Ca 0.15 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1ni6 h LEU 217 Cb 0.34 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1ni6 h LEU 217 CO 0.00 0.65 0.24 1.56 0.09 0.00 0.00 178.44 180.99 1ni6 h GLN 218 N 1.00 0.58 0.24 1.13 1.08 -1.04 -1.60 115.11 116.51 1ni6 h GLN 218 Ca 0.27 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1ni6 h GLN 218 Cb -0.07 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.23 1ni6 h GLN 218 CO -0.05 0.45 -0.18 0.93 -0.95 0.00 0.00 178.83 179.03 1ni6 h GLU 219 N 0.55 -0.41 -0.93 1.46 5.08 -1.25 -1.24 114.58 117.85 1ni6 h GLU 219 Ca 0.15 0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.71 1ni6 h GLU 219 Cb 0.02 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.27 1ni6 h GLU 219 CO -0.03 -0.27 0.53 -0.07 -1.00 0.00 0.00 179.01 178.17 1ni6 h LEU 220 N -0.42 0.66 -0.67 1.33 3.38 -1.26 0.56 115.31 118.89 1ni6 h LEU 220 Ca -0.02 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ni6 h LEU 220 Cb 0.37 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1ni6 h LEU 220 CO -0.00 0.25 0.00 -0.07 0.09 0.00 0.00 178.44 178.70 1ni6 h LEU 221 N 0.70 0.00 -3.59 1.67 3.38 -0.76 -2.83 115.31 113.88 1ni6 h LEU 221 Ca 0.53 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 58.07 1ni6 h LEU 221 Cb 0.79 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.21 1ni6 h LEU 221 CO -0.38 0.00 -0.65 0.41 0.09 0.00 0.00 178.44 177.91 1ni6 n THR 222 N -2.43 2.51 -0.48 0.22 -1.04 0.18 -5.09 114.28 108.16 1ni6 n THR 222 Ca 0.03 -3.91 0.00 0.00 -2.04 0.00 0.00 64.05 58.13 1ni6 n THR 222 Cb 0.29 -0.92 0.00 0.00 -1.82 0.00 0.00 70.33 67.88 1ni6 n THR 222 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00