#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9k s PRO 5 N 0.00 2.55 0.25 1.43 0.02 -1.26 -4.92 135.00 133.07 1n9k s PRO 5 Ca 0.00 1.99 -0.04 0.00 0.02 0.00 0.00 61.00 62.97 1n9k s PRO 5 Cb 0.00 -1.85 0.29 0.00 0.02 0.00 0.00 34.50 32.96 1n9k s PRO 5 CO 0.00 -1.58 1.83 1.25 -0.33 0.00 0.00 177.00 178.16 1n9k h LEU 6 N 0.47 0.97 -6.74 -5.54 5.85 -2.13 -3.34 115.31 104.84 1n9k h LEU 6 Ca -0.50 -0.14 -0.61 0.00 0.84 0.00 0.00 57.88 57.47 1n9k h LEU 6 Cb 1.33 -0.25 -0.41 0.00 0.37 0.00 0.00 40.66 41.69 1n9k h LEU 6 CO 0.53 0.85 -0.66 0.59 -0.34 0.00 0.00 178.44 179.42 1n9k n ASN 7 N -4.30 2.58 0.24 1.25 3.02 -1.26 -4.96 115.26 111.84 1n9k n ASN 7 Ca 0.06 -3.13 0.10 0.00 -0.03 0.00 0.00 54.58 51.58 1n9k n ASN 7 Cb 0.17 -0.71 0.61 0.00 -0.61 0.00 0.00 39.78 39.24 1n9k n ASN 7 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1n9k h PRO 8 N 5.09 0.00 0.00 3.52 0.13 -1.97 -3.48 132.00 135.29 1n9k h PRO 8 Ca 0.17 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.40 1n9k h PRO 8 Cb 0.76 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.86 1n9k h PRO 8 CO 0.69 0.18 -0.13 0.41 -0.23 0.00 0.00 178.00 178.92 1n9k n GLY 9 N -0.59 -1.95 1.85 1.56 0.00 -1.26 -5.05 105.19 99.76 1n9k n GLY 9 Ca -0.02 -1.34 -0.05 0.00 0.00 0.00 0.00 46.02 44.62 1n9k n GLY 9 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1n9k n THR 10 N -1.74 0.00 -3.75 2.61 5.66 -1.26 -5.19 114.28 110.62 1n9k n THR 10 Ca 0.00 -0.56 -0.09 0.00 -3.05 0.00 0.00 64.05 60.34 1n9k n THR 10 Cb 0.17 0.51 -0.03 0.00 -1.55 0.00 0.00 70.33 69.42 1n9k n THR 10 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1n9k s ASN 11 N -2.05 -0.27 0.44 1.09 2.20 -1.26 -5.07 114.94 110.02 1n9k s ASN 11 Ca 0.09 -0.49 0.28 0.00 -0.94 0.00 0.00 52.86 51.80 1n9k s ASN 11 Cb -0.02 0.60 0.89 0.00 -2.00 0.00 0.00 41.25 40.72 1n9k s ASN 11 CO 0.07 -1.09 1.79 1.62 -2.94 0.00 0.00 177.10 176.55 1n9k h VAL 12 N 2.16 0.00 -0.50 3.54 3.04 -2.03 -0.61 116.25 121.86 1n9k h VAL 12 Ca -0.28 -0.65 -0.08 0.00 -1.01 0.00 0.00 66.70 64.69 1n9k h VAL 12 Cb 1.26 1.61 -0.02 0.00 -2.01 0.00 0.00 31.29 32.14 1n9k h VAL 12 CO 0.35 0.00 -0.01 0.00 -1.01 0.00 0.00 177.57 176.91 1n9k h ALA 13 N 2.09 0.67 -0.32 3.17 0.00 -1.98 -2.59 119.26 120.32 1n9k h ALA 13 Ca 0.00 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.46 1n9k h ALA 13 Cb 0.69 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1n9k h ALA 13 CO 0.00 0.49 -0.45 -0.09 0.00 0.00 0.00 179.25 179.20 1n9k h ARG 14 N 0.75 0.86 -0.74 0.00 2.43 -1.82 -2.12 114.38 113.74 1n9k h ARG 14 Ca 0.14 -0.51 -0.01 0.00 -0.81 0.00 0.00 59.98 58.79 1n9k h ARG 14 Cb 0.53 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.08 1n9k h ARG 14 CO 0.03 1.14 0.41 -0.07 -1.51 0.00 0.00 179.97 179.97 1n9k h LEU 15 N 0.65 0.92 -0.50 3.80 3.38 -1.12 -2.78 115.31 119.67 1n9k h LEU 15 Ca 0.03 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1n9k h LEU 15 Cb 1.05 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1n9k h LEU 15 CO 0.10 0.74 -0.34 0.00 0.09 0.00 0.00 178.44 179.03 1n9k n ALA 16 N -2.43 3.26 -1.81 1.53 0.00 -0.98 -4.99 120.51 115.10 1n9k n ALA 16 Ca 0.08 -0.44 -0.41 0.00 0.00 0.00 0.00 53.44 52.66 1n9k n ALA 16 Cb 0.10 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 1n9k n ALA 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1n9k s GLU 17 N -2.57 4.19 -0.01 0.00 2.12 -0.80 -5.00 118.70 116.63 1n9k s GLU 17 Ca 0.21 2.45 0.07 0.00 0.36 0.00 0.00 54.97 58.06 1n9k s GLU 17 Cb 0.19 -3.05 -0.02 0.00 0.26 0.00 0.00 34.13 31.51 1n9k s GLU 17 CO 0.56 -0.51 -0.21 -0.65 -0.54 0.00 0.00 175.26 173.91 1n9k s GLN 18 N -0.77 1.69 0.47 4.30 -1.52 -1.26 -5.06 119.66 117.51 1n9k s GLN 18 Ca 0.59 -0.79 -0.19 0.00 -1.95 0.00 0.00 55.36 53.02 1n9k s GLN 18 Cb -0.45 -1.66 -0.09 0.00 -0.22 0.00 0.00 33.01 30.59 1n9k s GLN 18 CO 0.49 0.45 0.99 0.00 -0.25 0.00 0.00 175.29 176.96 1n9k s ALA 19 N -0.54 2.99 -1.00 6.09 0.00 -1.26 -4.97 121.76 123.07 1n9k s ALA 19 Ca 0.08 0.39 -0.23 0.00 0.00 0.00 0.00 51.96 52.20 1n9k s ALA 19 Cb -0.08 -3.17 0.05 0.00 0.00 0.00 0.00 23.12 19.92 1n9k s ALA 19 CO -0.00 -0.12 1.43 -1.25 0.00 0.00 0.00 175.76 175.82 1n9k s PRO 20 N -3.47 3.56 -0.04 0.00 0.04 -1.26 -4.94 135.00 128.88 1n9k s PRO 20 Ca 0.63 -1.05 0.07 0.00 0.04 0.00 0.00 61.00 60.68 1n9k s PRO 20 Cb -0.11 -5.26 -0.01 0.00 0.04 0.00 0.00 34.50 29.16 1n9k s PRO 20 CO 0.21 -2.20 -0.25 0.42 0.04 0.00 0.00 177.00 175.21 1n9k s ILE 21 N 5.03 2.02 -1.10 0.56 -1.09 -1.26 -5.02 121.20 120.34 1n9k s ILE 21 Ca 0.45 -1.07 -0.22 0.00 -2.23 0.00 0.00 60.65 57.59 1n9k s ILE 21 Cb -0.01 -1.70 0.05 0.00 -1.58 0.00 0.00 42.46 39.23 1n9k s ILE 21 CO -0.08 0.57 1.54 -2.28 -1.23 0.00 0.00 174.94 173.46 1n9k s HIS 22 N -0.31 2.59 0.31 3.97 5.65 -1.26 -5.02 115.29 121.21 1n9k s HIS 22 Ca 0.01 -1.04 -0.28 0.00 0.25 0.00 0.00 55.06 54.00 1n9k s HIS 22 Cb -0.12 -4.71 -0.09 0.00 -1.18 0.00 0.00 32.58 26.48 1n9k s HIS 22 CO 0.02 -1.90 1.02 -1.58 -0.65 0.00 0.00 174.74 171.65 1n9k s TRP 23 N 4.84 3.62 0.09 3.88 0.52 -1.26 -0.50 118.94 130.13 1n9k s TRP 23 Ca 0.49 1.75 0.01 0.00 0.02 0.00 0.00 56.10 58.37 1n9k s TRP 23 Cb 0.01 -3.11 -0.04 0.00 -1.15 0.00 0.00 33.47 29.18 1n9k s TRP 23 CO -0.05 -0.20 -0.06 0.14 0.02 0.00 0.00 176.95 176.80 1n9k s VAL 24 N -1.37 0.62 0.29 4.03 -7.23 -0.35 -4.85 120.40 111.54 1n9k s VAL 24 Ca 0.48 -1.92 0.06 0.00 -1.81 0.00 0.00 61.98 58.80 1n9k s VAL 24 Cb -0.26 -1.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 1n9k s VAL 24 CO 0.33 -0.89 0.33 -0.94 -0.31 0.00 0.00 175.10 173.62 1n9k s SER 25 N -3.02 5.80 0.16 4.85 1.04 -1.26 -1.56 113.70 119.71 1n9k s SER 25 Ca 0.11 -0.20 -0.19 0.00 0.48 0.00 0.00 55.95 56.15 1n9k s SER 25 Cb 0.06 -1.39 0.06 0.00 0.10 0.00 0.00 66.02 64.85 1n9k s SER 25 CO -0.06 -0.22 1.66 0.58 0.98 0.00 0.00 173.24 176.18 1n9k h VAL 26 N 1.20 0.53 -0.71 5.02 2.07 -1.99 -1.81 116.25 120.56 1n9k h VAL 26 Ca -0.48 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.18 1n9k h VAL 26 Cb 1.24 0.53 -0.10 0.00 -1.52 0.00 0.00 31.29 31.45 1n9k h VAL 26 CO 0.58 0.00 0.21 0.00 0.02 0.00 0.00 177.57 178.39 1n9k h ALA 27 N 1.16 0.93 -0.50 1.67 0.00 -1.99 0.23 119.26 120.77 1n9k h ALA 27 Ca 0.17 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1n9k h ALA 27 Cb 0.35 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1n9k h ALA 27 CO -0.39 -0.28 0.10 1.96 0.00 0.00 0.00 179.25 180.64 1n9k h GLN 28 N 0.34 0.77 -0.24 0.00 4.20 -1.88 0.13 115.11 118.43 1n9k h GLN 28 Ca 0.39 -0.16 -0.20 0.00 0.06 0.00 0.00 58.65 58.74 1n9k h GLN 28 Cb 0.62 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1n9k h GLN 28 CO -0.44 0.72 -0.64 0.82 -0.67 0.00 0.00 178.83 178.62 1n9k h ILE 29 N 0.74 1.27 -0.82 2.54 2.04 0.18 -1.02 117.51 122.43 1n9k h ILE 29 Ca 0.16 -1.82 -0.02 0.00 1.00 0.00 0.00 64.86 64.18 1n9k h ILE 29 Cb 0.31 1.75 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 1n9k h ILE 29 CO 0.00 0.59 0.44 -0.08 0.00 0.00 0.00 178.15 179.10 1n9k h GLU 30 N 0.63 1.16 -0.40 2.37 4.81 -0.49 -1.74 114.58 120.91 1n9k h GLU 30 Ca -0.01 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.00 1n9k h GLU 30 Cb 1.26 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 1n9k h GLU 30 CO 0.14 0.86 -0.07 -0.97 -0.73 0.00 0.00 179.01 178.25 1n9k h ASN 31 N 1.15 0.66 0.70 1.04 -1.24 -0.83 -2.48 115.58 114.57 1n9k h ASN 31 Ca 0.29 -0.17 0.00 0.00 0.71 0.00 0.00 56.30 57.13 1n9k h ASN 31 Cb 0.05 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 38.93 1n9k h ASN 31 CO -0.04 0.77 0.00 0.77 -1.29 0.00 0.00 177.43 177.64 1n9k h SER 32 N 0.63 0.00 -0.45 1.15 4.64 -0.28 -2.09 113.55 117.16 1n9k h SER 32 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1n9k h SER 32 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1n9k h SER 32 CO 0.03 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.17 1n9k n LEU 33 N -2.46 3.24 -4.71 5.97 4.77 -0.96 -4.99 117.00 117.86 1n9k n LEU 33 Ca 0.01 -1.87 -0.42 0.00 -0.03 0.00 0.00 56.01 53.70 1n9k n LEU 33 Cb 0.22 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1n9k n LEU 33 CO 0.20 0.79 1.38 0.00 -1.33 0.00 0.00 177.39 178.43 1n9k n ALA 34 N 0.99 2.73 -1.12 -1.18 0.00 -0.79 -1.18 120.51 119.96 1n9k n ALA 34 Ca 0.16 0.40 -0.04 0.00 0.00 0.00 0.00 53.44 53.96 1n9k n ALA 34 Cb 0.50 -2.52 -0.02 0.00 0.00 0.00 0.00 19.45 17.41 1n9k n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n9k n GLY 35 N 3.97 0.55 3.70 0.00 0.00 -1.26 -5.00 105.19 107.15 1n9k n GLY 35 Ca 0.16 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1n9k n GLY 35 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1n9k s ARG 36 N -1.88 4.45 1.01 1.61 6.06 -0.32 -5.07 118.95 124.80 1n9k s ARG 36 Ca 0.00 1.19 -0.12 0.00 -2.50 0.00 0.00 55.73 54.30 1n9k s ARG 36 Cb 0.00 -3.50 0.20 0.00 0.06 0.00 0.00 34.95 31.71 1n9k s ARG 36 CO 0.00 -0.13 1.08 -1.25 -2.50 0.00 0.00 175.30 172.51 1n9k s PRO 37 N 1.37 0.30 0.20 5.12 0.04 -1.26 -4.92 135.00 135.86 1n9k s PRO 37 Ca 0.45 1.02 -0.29 0.00 0.04 0.00 0.00 61.00 62.22 1n9k s PRO 37 Cb -0.19 -1.68 -0.17 0.00 0.04 0.00 0.00 34.50 32.50 1n9k s PRO 37 CO 0.20 -2.95 0.62 -2.30 0.04 0.00 0.00 177.00 172.61 1n9k n PRO 38 N -4.40 0.18 -4.13 0.56 -0.02 -1.26 -5.00 135.00 120.93 1n9k n PRO 38 Ca 0.07 0.06 -0.13 0.00 -2.02 0.00 0.00 63.50 61.48 1n9k n PRO 38 Cb 0.54 -1.14 -0.07 0.00 -0.02 0.00 0.00 33.50 32.81 1n9k n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n9k s MET 39 N -1.01 1.57 -0.09 -0.52 0.23 -1.26 -4.99 119.30 113.23 1n9k s MET 39 Ca 0.65 -1.62 -0.12 0.00 -1.03 0.00 0.00 55.69 53.57 1n9k s MET 39 Cb -0.92 0.38 -0.05 0.00 -1.53 0.00 0.00 34.83 32.71 1n9k s MET 39 CO 0.56 -0.61 0.28 0.00 -2.03 0.00 0.00 175.02 173.23 1n9k s ALA 40 N -3.71 3.73 0.17 3.16 0.00 -1.26 -0.23 121.76 123.62 1n9k s ALA 40 Ca 0.33 -0.43 0.04 0.00 0.00 0.00 0.00 51.96 51.89 1n9k s ALA 40 Cb 0.02 -2.24 -0.05 0.00 0.00 0.00 0.00 23.12 20.85 1n9k s ALA 40 CO 0.16 0.42 -0.05 0.14 0.00 0.00 0.00 175.76 176.42 1n9k s VAL 41 N -0.62 1.01 0.10 0.00 -7.23 -0.10 -0.98 120.40 112.58 1n9k s VAL 41 Ca 0.19 -2.03 -0.02 0.00 -1.81 0.00 0.00 61.98 58.30 1n9k s VAL 41 Cb -0.14 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 1n9k s VAL 41 CO 0.07 -0.60 0.04 -0.83 -0.31 0.00 0.00 175.10 173.48 1n9k s GLY 42 N -3.20 0.67 -0.02 2.32 0.00 0.64 -0.88 107.32 106.85 1n9k s GLY 42 Ca 0.21 -1.26 0.01 0.00 0.00 0.00 0.00 44.72 43.67 1n9k s GLY 42 CO 0.03 -1.27 -0.01 -1.36 0.00 0.00 0.00 173.10 170.49 1n9k s PHE 43 N -3.98 0.34 0.91 1.90 0.08 0.97 -1.55 117.98 116.66 1n9k s PHE 43 Ca 0.15 -0.03 -0.10 0.00 0.12 0.00 0.00 56.93 57.07 1n9k s PHE 43 Cb 0.07 -0.37 0.14 0.00 -0.57 0.00 0.00 43.02 42.29 1n9k s PHE 43 CO -0.04 -0.10 1.12 0.34 -0.10 0.00 0.00 175.22 176.44 1n9k s ASP 44 N 0.73 3.04 -0.19 1.36 2.15 -0.27 -0.99 116.67 122.51 1n9k s ASP 44 Ca -0.08 2.04 -0.16 0.00 0.43 0.00 0.00 52.55 54.78 1n9k s ASP 44 Cb -0.11 -2.52 -0.07 0.00 -0.30 0.00 0.00 42.92 39.92 1n9k s ASP 44 CO -0.01 -3.00 -0.28 -0.38 -0.17 0.00 0.00 175.17 171.33 1n9k n ILE 45 N -4.16 1.49 -2.98 4.11 5.41 -1.26 -4.04 119.36 117.93 1n9k n ILE 45 Ca 0.10 0.06 -0.41 0.00 1.00 0.00 0.00 62.75 63.51 1n9k n ILE 45 Cb 0.53 -2.26 -0.05 0.00 -0.71 0.00 0.00 39.64 37.15 1n9k n ILE 45 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1n9k s ASP 46 N -6.19 6.92 0.00 4.38 1.01 -1.26 -0.80 116.67 120.73 1n9k s ASP 46 Ca -0.28 1.12 0.00 0.00 0.71 0.00 0.00 52.55 54.11 1n9k s ASP 46 Cb 0.06 -2.42 0.00 0.00 1.01 0.00 0.00 42.92 41.56 1n9k s ASP 46 CO 0.41 -0.29 0.00 0.47 0.21 0.00 0.00 175.17 175.97 1n9k n ASP 47 N 4.73 -5.05 -0.07 0.27 8.00 0.10 -4.77 116.55 119.77 1n9k n ASP 47 Ca 0.02 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.38 1n9k n ASP 47 Cb 0.50 -3.03 -0.05 0.00 -0.02 0.00 0.00 41.12 38.52 1n9k n ASP 47 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1n9k n THR 48 N -2.11 1.08 -0.00 -3.53 -1.04 -0.67 -4.50 114.28 103.51 1n9k n THR 48 Ca 0.00 -0.08 0.01 0.00 -2.04 0.00 0.00 64.05 61.95 1n9k n THR 48 Cb 0.39 -1.84 -0.03 0.00 -1.82 0.00 0.00 70.33 67.04 1n9k n THR 48 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1n9k n VAL 49 N -3.86 0.05 -4.89 12.58 0.24 0.02 -4.57 118.33 117.89 1n9k n VAL 49 Ca -0.25 -0.10 -0.27 0.00 -2.04 0.00 0.00 64.34 61.67 1n9k n VAL 49 Cb 0.60 0.17 -0.16 0.00 -1.47 0.00 0.00 33.84 32.98 1n9k n VAL 49 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1n9k s LEU 50 N -3.46 1.93 -0.95 1.34 1.43 -0.58 -0.54 118.68 117.85 1n9k s LEU 50 Ca -0.02 -0.38 -0.21 0.00 -1.03 0.00 0.00 54.13 52.49 1n9k s LEU 50 Cb 0.02 -1.03 0.09 0.00 0.03 0.00 0.00 46.19 45.29 1n9k s LEU 50 CO 0.17 0.16 1.28 0.12 0.23 0.00 0.00 176.35 178.30 1n9k s PHE 51 N 0.06 2.79 -2.55 0.29 5.36 0.34 0.02 117.98 124.28 1n9k s PHE 51 Ca -0.05 -1.04 0.23 0.00 -0.96 0.00 0.00 56.93 55.12 1n9k s PHE 51 Cb -0.12 -4.49 0.51 0.00 -0.34 0.00 0.00 43.02 38.57 1n9k s PHE 51 CO 0.03 -1.73 1.44 -1.13 -1.46 0.00 0.00 175.22 172.36 1n9k n SER 52 N 7.82 2.75 -0.38 6.13 3.41 -1.26 -1.05 113.62 131.04 1n9k n SER 52 Ca 0.26 -1.88 0.33 0.00 -0.26 0.00 0.00 58.87 57.32 1n9k n SER 52 Cb 0.50 -0.14 0.67 0.00 -0.26 0.00 0.00 64.21 64.98 1n9k n SER 52 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1n9k h SER 53 N 3.79 0.18 -0.15 4.04 0.02 -1.95 -2.75 113.55 116.73 1n9k h SER 53 Ca 0.00 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.04 1n9k h SER 53 Cb 0.83 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.34 1n9k h SER 53 CO 0.00 -0.00 -0.18 -0.65 -1.14 0.00 0.00 176.83 174.86 1n9k h PRO 54 N 0.13 -0.21 -0.39 3.45 0.11 -1.86 0.27 132.00 133.51 1n9k h PRO 54 Ca 0.65 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.76 1n9k h PRO 54 Cb 2.22 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 33.36 1n9k h PRO 54 CO -0.16 -0.14 0.17 0.78 -0.21 0.00 0.00 178.00 178.44 1n9k h GLY 55 N -0.21 0.62 0.85 -0.55 0.00 -1.74 -0.19 103.07 101.84 1n9k h GLY 55 Ca 0.10 -0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.15 1n9k h GLY 55 CO -0.27 0.30 0.46 0.74 0.00 0.00 0.00 176.54 177.78 1n9k h PHE 56 N 0.49 0.87 -0.09 5.60 0.04 -1.33 0.29 116.94 122.81 1n9k h PHE 56 Ca 0.13 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 1n9k h PHE 56 Cb 0.16 -0.28 -0.00 0.00 2.20 0.00 0.00 35.95 38.02 1n9k h PHE 56 CO -0.01 0.49 0.02 2.35 -0.60 0.00 0.00 178.31 180.56 1n9k h TRP 57 N 0.90 0.14 -0.70 -0.55 2.91 -0.41 0.17 115.95 118.42 1n9k h TRP 57 Ca 0.30 -0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.32 1n9k h TRP 57 Cb 0.04 -0.04 -0.04 0.00 -0.51 0.00 0.00 29.16 28.61 1n9k h TRP 57 CO -0.04 0.31 0.46 -0.09 -1.03 0.00 0.00 178.44 178.05 1n9k h ARG 58 N -0.07 0.90 0.33 2.65 1.12 -0.75 -1.06 114.38 117.51 1n9k h ARG 58 Ca 0.03 -0.05 -0.00 0.00 -1.11 0.00 0.00 59.98 58.84 1n9k h ARG 58 Cb 0.24 -0.20 -0.03 0.00 -0.01 0.00 0.00 29.97 29.96 1n9k h ARG 58 CO 0.00 0.60 -0.50 0.78 -3.11 0.00 0.00 179.97 177.74 1n9k h GLY 59 N 0.93 -1.16 0.06 2.80 0.00 -0.17 -1.72 103.07 103.80 1n9k h GLY 59 Ca 0.26 0.59 0.08 0.00 0.00 0.00 0.00 47.33 48.26 1n9k h GLY 59 CO -0.06 -0.33 -0.19 1.70 0.00 0.00 0.00 176.54 177.66 1n9k h LYS 60 N -0.88 -0.13 -0.99 4.80 3.64 -0.78 0.08 116.57 122.31 1n9k h LYS 60 Ca -0.03 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1n9k h LYS 60 Cb 0.81 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.61 1n9k h LYS 60 CO -0.16 -0.08 0.65 0.87 -2.27 0.00 0.00 179.45 178.46 1n9k h LYS 61 N -0.13 1.28 -0.01 1.90 1.57 -1.11 -0.43 116.57 119.64 1n9k h LYS 61 Ca 0.19 -0.08 -0.15 0.00 -1.87 0.00 0.00 60.65 58.74 1n9k h LYS 61 Cb 0.42 -0.29 0.01 0.00 0.08 0.00 0.00 32.23 32.45 1n9k h LYS 61 CO -0.46 0.85 -0.57 1.15 -0.57 0.00 0.00 179.45 179.84 1n9k h THR 62 N 1.32 1.43 0.00 -0.16 2.02 -0.85 -3.36 112.91 113.30 1n9k h THR 62 Ca 0.37 -2.05 -0.36 0.00 0.77 0.00 0.00 66.41 65.15 1n9k h THR 62 Cb -0.11 2.57 -0.07 0.00 -1.74 0.00 0.00 68.15 68.80 1n9k h THR 62 CO -0.09 0.60 -2.34 0.49 0.37 0.00 0.00 175.52 174.54 1n9k n PHE 63 N -4.24 0.00 -2.97 3.16 3.72 -0.02 -4.84 117.46 112.26 1n9k n PHE 63 Ca -0.10 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.14 1n9k n PHE 63 Cb 0.66 -0.94 -0.01 0.00 -0.94 0.00 0.00 39.48 38.24 1n9k n PHE 63 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1n9k n SER 64 N -2.87 -1.27 -0.12 4.37 3.41 -0.23 -4.77 113.62 112.14 1n9k n SER 64 Ca -0.35 -3.03 0.27 0.00 -0.26 0.00 0.00 58.87 55.50 1n9k n SER 64 Cb 1.07 0.58 0.69 0.00 -0.26 0.00 0.00 64.21 66.29 1n9k n SER 64 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1n9k h PRO 65 N 3.90 0.00 -0.00 4.33 0.11 -1.54 -2.03 132.00 136.77 1n9k h PRO 65 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1n9k h PRO 65 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1n9k h PRO 65 CO 0.39 0.00 -0.52 0.39 -0.21 0.00 0.00 178.00 178.05 1n9k n GLU 66 N -3.81 3.22 -3.95 1.05 -0.58 -1.26 -4.92 120.64 110.38 1n9k n GLU 66 Ca 0.17 -0.03 -0.19 0.00 -0.42 0.00 0.00 57.16 56.69 1n9k n GLU 66 Cb 1.02 -1.04 -0.06 0.00 -0.57 0.00 0.00 31.44 30.79 1n9k n GLU 66 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1n9k n SER 67 N -1.22 0.42 -0.52 1.62 3.41 -0.76 -5.02 113.62 111.54 1n9k n SER 67 Ca 0.02 -2.83 0.03 0.00 -0.26 0.00 0.00 58.87 55.83 1n9k n SER 67 Cb 0.18 1.10 0.09 0.00 -0.26 0.00 0.00 64.21 65.32 1n9k n SER 67 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1n9k n GLU 68 N -0.67 1.63 0.13 4.33 4.71 -1.26 -4.63 120.64 124.87 1n9k n GLU 68 Ca -0.00 -0.72 0.03 0.00 -0.01 0.00 0.00 57.16 56.46 1n9k n GLU 68 Cb 0.51 -1.34 0.42 0.00 -1.01 0.00 0.00 31.44 30.03 1n9k n GLU 68 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1n9k h ASP 69 N 1.07 0.21 -1.10 1.62 3.32 -1.95 -2.70 116.42 116.89 1n9k h ASP 69 Ca 0.00 -0.04 0.30 0.00 0.02 0.00 0.00 57.03 57.32 1n9k h ASP 69 Cb 0.47 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 39.89 1n9k h ASP 69 CO 0.04 0.33 0.75 0.10 -1.72 0.00 0.00 179.24 178.74 1n9k h TYR 70 N 0.22 0.34 0.00 4.55 -0.00 -1.86 0.68 116.97 120.90 1n9k h TYR 70 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.79 1n9k h TYR 70 Cb 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 36.73 36.92 1n9k h TYR 70 CO 0.00 0.02 0.00 1.28 -0.00 0.00 0.00 178.16 179.47 1n9k n LEU 71 N -4.42 0.00 -0.50 0.10 4.77 -1.02 -1.06 117.00 114.87 1n9k n LEU 71 Ca 0.25 0.40 0.05 0.00 -0.03 0.00 0.00 56.01 56.68 1n9k n LEU 71 Cb 1.05 -0.40 0.13 0.00 -2.33 0.00 0.00 43.42 41.86 1n9k n LEU 71 CO 0.32 -0.18 0.60 0.29 -1.33 0.00 0.00 177.39 177.10 1n9k n LYS 72 N -1.40 2.87 -3.37 3.23 5.02 0.22 -4.92 118.16 119.81 1n9k n LYS 72 Ca 0.06 -2.00 -0.42 0.00 -2.02 0.00 0.00 58.31 53.92 1n9k n LYS 72 Cb 0.17 -1.26 -0.09 0.00 -0.02 0.00 0.00 35.03 33.82 1n9k n LYS 72 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1n9k s ASN 73 N -1.13 6.18 0.55 4.39 3.84 -0.22 -4.96 114.94 123.58 1n9k s ASN 73 Ca 0.20 -0.54 0.23 0.00 0.21 0.00 0.00 52.86 52.96 1n9k s ASN 73 Cb 0.12 -2.21 1.47 0.00 -0.55 0.00 0.00 41.25 40.08 1n9k s ASN 73 CO 0.11 -0.48 2.12 1.55 -2.79 0.00 0.00 177.10 177.62 1n9k h PRO 74 N 8.62 0.00 -0.34 0.43 0.13 -1.93 -0.66 132.00 138.25 1n9k h PRO 74 Ca -0.28 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.74 1n9k h PRO 74 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1n9k h PRO 74 CO 0.75 0.00 -0.24 0.28 -0.23 0.00 0.00 178.00 178.56 1n9k h VAL 75 N 0.00 1.27 0.16 1.56 2.07 -1.93 -1.52 116.25 117.87 1n9k h VAL 75 Ca 0.07 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 1n9k h VAL 75 Cb 0.33 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1n9k h VAL 75 CO -0.00 0.44 -0.08 0.15 0.02 0.00 0.00 177.57 178.10 1n9k h PHE 76 N 0.59 -0.20 -0.64 1.57 3.57 -1.40 -2.94 116.94 117.49 1n9k h PHE 76 Ca 0.08 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 1n9k h PHE 76 Cb 0.72 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 1n9k h PHE 76 CO 0.03 -0.10 0.26 -1.49 -2.23 0.00 0.00 178.31 174.78 1n9k h TRP 77 N -0.24 0.94 -0.78 0.41 4.06 -1.25 0.16 115.95 119.25 1n9k h TRP 77 Ca -0.02 -0.06 -0.01 0.00 2.06 0.00 0.00 58.89 60.87 1n9k h TRP 77 Cb 0.19 -0.29 -0.04 0.00 -1.00 0.00 0.00 29.16 28.02 1n9k h TRP 77 CO -0.06 0.72 0.46 1.49 -3.56 0.00 0.00 178.44 177.49 1n9k h GLU 78 N 0.92 1.06 -0.38 0.49 4.22 -1.25 -0.58 114.58 119.06 1n9k h GLU 78 Ca 0.22 -0.10 -0.11 0.00 0.08 0.00 0.00 59.36 59.44 1n9k h GLU 78 Cb 0.18 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1n9k h GLU 78 CO -0.02 0.76 -0.20 0.87 -2.18 0.00 0.00 179.01 178.24 1n9k h LYS 79 N 1.07 0.80 -0.58 1.92 1.79 -1.09 -2.86 116.57 117.62 1n9k h LYS 79 Ca 0.28 -0.36 -0.06 0.00 -2.18 0.00 0.00 60.65 58.34 1n9k h LYS 79 Cb -0.02 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.59 1n9k h LYS 79 CO -0.05 0.98 0.14 1.98 -1.08 0.00 0.00 179.45 181.42 1n9k h MET 80 N 0.60 0.90 -0.02 3.15 4.05 -0.26 -2.71 114.93 120.65 1n9k h MET 80 Ca 0.08 -0.19 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 1n9k h MET 80 Cb 0.75 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.42 1n9k h MET 80 CO 0.06 0.81 -0.41 0.09 0.23 0.00 0.00 176.91 177.69 1n9k n ASN 81 N -4.26 2.15 -1.42 1.39 3.02 -0.27 -3.86 115.26 112.01 1n9k n ASN 81 Ca 0.04 -1.58 -0.09 0.00 -0.03 0.00 0.00 54.58 52.93 1n9k n ASN 81 Cb 0.23 0.40 0.10 0.00 -0.61 0.00 0.00 39.78 39.91 1n9k n ASN 81 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1n9k n ASN 82 N 0.16 3.20 0.00 6.41 3.02 -1.08 -0.26 115.26 126.72 1n9k n ASN 82 Ca 0.10 -3.66 0.00 0.00 -0.03 0.00 0.00 54.58 50.99 1n9k n ASN 82 Cb 0.49 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 1n9k n ASN 82 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n9k n GLY 83 N -0.83 1.12 0.08 7.41 0.00 -1.21 -4.89 105.19 106.87 1n9k n GLY 83 Ca 0.30 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.37 1n9k n GLY 83 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1n9k n TRP 84 N 0.00 0.47 1.08 1.61 7.02 -1.03 -0.58 117.44 126.01 1n9k n TRP 84 Ca 0.00 0.19 0.12 0.00 -1.02 0.00 0.00 57.50 56.79 1n9k n TRP 84 Cb 0.00 -0.81 0.59 0.00 -2.42 0.00 0.00 31.31 28.67 1n9k n TRP 84 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1n9k n ASP 85 N -1.94 0.00 0.28 -0.99 8.00 -1.25 -1.44 116.55 119.21 1n9k n ASP 85 Ca 0.02 0.07 0.19 0.00 0.71 0.00 0.00 54.79 55.78 1n9k n ASP 85 Cb 0.17 -0.34 0.99 0.00 -0.02 0.00 0.00 41.12 41.93 1n9k n ASP 85 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1n9k h GLU 86 N 0.00 0.00 -0.03 -1.24 4.39 -1.23 -0.95 114.58 115.52 1n9k h GLU 86 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1n9k h GLU 86 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1n9k h GLU 86 CO 0.00 0.00 -0.04 1.19 -1.16 0.00 0.00 179.01 179.00 1n9k n PHE 87 N -2.83 0.00 -2.68 4.33 3.72 -0.52 -4.95 117.46 114.53 1n9k n PHE 87 Ca -0.02 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.99 1n9k n PHE 87 Cb 0.08 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.56 1n9k n PHE 87 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1n9k s SER 88 N -1.95 7.41 -0.26 4.37 0.01 -0.36 -4.77 113.70 118.14 1n9k s SER 88 Ca 0.26 1.99 -0.07 0.00 1.31 0.00 0.00 55.95 59.44 1n9k s SER 88 Cb 0.19 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.80 1n9k s SER 88 CO 0.31 -0.02 0.08 -0.63 0.41 0.00 0.00 173.24 173.39 1n9k s ILE 89 N -1.34 4.24 0.36 1.44 1.01 -0.21 -4.84 121.20 121.86 1n9k s ILE 89 Ca 0.46 -0.31 -0.28 0.00 0.00 0.00 0.00 60.65 60.52 1n9k s ILE 89 Cb -0.25 -3.04 -0.11 0.00 0.01 0.00 0.00 42.46 39.07 1n9k s ILE 89 CO 0.31 0.26 1.46 -2.65 0.00 0.00 0.00 174.94 174.33 1n9k n PRO 90 N 4.92 2.56 -3.01 2.79 -0.02 -1.26 -0.50 135.00 140.47 1n9k n PRO 90 Ca -0.16 0.90 -0.40 0.00 -2.02 0.00 0.00 63.50 61.83 1n9k n PRO 90 Cb 0.50 -2.61 -0.05 0.00 -0.02 0.00 0.00 33.50 31.33 1n9k n PRO 90 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1n9k s LYS 91 N -1.86 4.48 0.28 -0.52 1.02 0.30 -4.85 119.74 118.59 1n9k s LYS 91 Ca 0.55 1.03 -0.02 0.00 0.02 0.00 0.00 55.97 57.55 1n9k s LYS 91 Cb -0.50 -3.35 0.43 0.00 -0.52 0.00 0.00 37.83 33.89 1n9k s LYS 91 CO 0.62 0.33 1.92 0.93 -0.92 0.00 0.00 175.35 178.22 1n9k h GLU 92 N 5.51 1.12 -0.18 1.68 5.08 -1.85 -0.52 114.58 125.43 1n9k h GLU 92 Ca -0.44 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1n9k h GLU 92 Cb 1.20 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1n9k h GLU 92 CO 0.70 0.74 0.09 -0.24 -1.00 0.00 0.00 179.01 179.30 1n9k h VAL 93 N 1.15 1.06 -0.02 3.13 3.04 -1.82 -1.07 116.25 121.73 1n9k h VAL 93 Ca 0.38 -0.18 -0.25 0.00 -1.01 0.00 0.00 66.70 65.65 1n9k h VAL 93 Cb 0.06 0.84 0.02 0.00 -2.01 0.00 0.00 31.29 30.20 1n9k h VAL 93 CO -0.12 0.07 -0.96 0.00 -1.01 0.00 0.00 177.57 175.55 1n9k h ALA 94 N 1.86 0.14 -0.58 3.17 0.00 -1.37 -1.08 119.26 121.39 1n9k h ALA 94 Ca 0.06 -0.67 0.08 0.00 0.00 0.00 0.00 54.91 54.39 1n9k h ALA 94 Cb 0.02 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1n9k h ALA 94 CO -0.01 0.64 0.22 0.00 0.00 0.00 0.00 179.25 180.10 1n9k h ARG 95 N 0.35 0.40 -0.61 0.00 3.08 -0.76 0.14 114.38 116.98 1n9k h ARG 95 Ca -0.12 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 1n9k h ARG 95 Cb 1.62 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.55 1n9k h ARG 95 CO 0.19 0.27 0.13 1.96 -1.07 0.00 0.00 179.97 181.44 1n9k h GLN 96 N 0.41 0.99 -0.17 0.04 4.20 -1.12 -1.55 115.11 117.92 1n9k h GLN 96 Ca 0.29 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 1n9k h GLN 96 Cb 0.33 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1n9k h GLN 96 CO -0.28 0.92 -0.33 -0.07 -0.67 0.00 0.00 178.83 178.40 1n9k h LEU 97 N 0.90 0.59 -0.27 1.46 3.38 -0.70 -1.70 115.31 118.97 1n9k h LEU 97 Ca 0.19 -0.54 -0.07 0.00 0.09 0.00 0.00 57.88 57.54 1n9k h LEU 97 Cb 0.38 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1n9k h LEU 97 CO 0.01 1.02 -0.11 0.40 0.09 0.00 0.00 178.44 179.85 1n9k h ILE 98 N 0.18 1.29 -0.72 1.22 2.04 -0.70 0.93 117.51 121.74 1n9k h ILE 98 Ca 0.01 -1.18 0.09 0.00 1.00 0.00 0.00 64.86 64.78 1n9k h ILE 98 Cb 0.92 1.49 -0.07 0.00 -0.74 0.00 0.00 36.82 38.42 1n9k h ILE 98 CO 0.07 0.37 0.37 0.44 0.00 0.00 0.00 178.15 179.41 1n9k h ASP 99 N 0.30 0.50 -0.32 1.72 3.32 -1.26 0.29 116.42 120.97 1n9k h ASP 99 Ca 0.06 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.18 1n9k h ASP 99 Cb 0.61 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 1n9k h ASP 99 CO 0.04 0.29 0.19 -0.03 -1.72 0.00 0.00 179.24 178.00 1n9k h MET 100 N 0.64 0.37 -0.15 3.56 4.05 -0.90 -0.90 114.93 121.61 1n9k h MET 100 Ca 0.35 -0.02 -0.14 0.00 -0.28 0.00 0.00 59.70 59.61 1n9k h MET 100 Cb 0.35 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1n9k h MET 100 CO -0.25 0.25 -0.51 0.45 0.23 0.00 0.00 176.91 177.07 1n9k h HIS 101 N 0.38 0.50 -0.45 1.39 3.86 0.18 -2.20 115.15 118.81 1n9k h HIS 101 Ca 0.13 -0.17 0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1n9k h HIS 101 Cb 0.01 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.35 1n9k h HIS 101 CO -0.08 0.84 0.27 0.28 0.86 0.00 0.00 177.93 180.10 1n9k h VAL 102 N 0.32 1.06 -0.59 2.45 2.07 -0.38 -0.64 116.25 120.54 1n9k h VAL 102 Ca 0.01 -0.19 0.09 0.00 0.82 0.00 0.00 66.70 67.43 1n9k h VAL 102 Cb 1.01 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.18 1n9k h VAL 102 CO 0.09 0.10 0.21 0.03 0.02 0.00 0.00 177.57 178.02 1n9k h ARG 103 N 0.55 0.38 0.00 1.57 3.08 -0.75 0.12 114.38 119.32 1n9k h ARG 103 Ca 0.17 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1n9k h ARG 103 Cb -0.01 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1n9k h ARG 103 CO -0.07 0.25 0.00 0.54 -1.07 0.00 0.00 179.97 179.62 1n9k n ARG 104 N -5.01 0.14 -0.87 0.04 1.74 -0.87 -4.90 116.66 106.94 1n9k n ARG 104 Ca 0.08 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 1n9k n ARG 104 Cb 0.26 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 1n9k n ARG 104 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n9k n GLY 105 N 0.22 0.50 3.76 -0.13 0.00 0.41 -4.33 105.19 105.63 1n9k n GLY 105 Ca 0.03 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 1n9k n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n9k s ASP 106 N -2.52 5.11 0.02 1.61 1.01 -0.29 -4.62 116.67 116.98 1n9k s ASP 106 Ca 0.00 2.21 -0.25 0.00 0.71 0.00 0.00 52.55 55.21 1n9k s ASP 106 Cb 0.00 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 1n9k s ASP 106 CO 0.00 -1.64 0.79 0.00 0.21 0.00 0.00 175.17 174.53 1n9k s ALA 107 N -1.94 3.33 -0.19 5.23 0.00 0.67 -4.72 121.76 124.14 1n9k s ALA 107 Ca 0.72 0.29 -0.04 0.00 0.00 0.00 0.00 51.96 52.94 1n9k s ALA 107 Cb -0.25 -3.04 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 1n9k s ALA 107 CO 0.36 -0.02 -0.04 0.42 0.00 0.00 0.00 175.76 176.49 1n9k s ILE 108 N 0.28 3.56 0.02 0.00 1.01 0.40 -0.93 121.20 125.55 1n9k s ILE 108 Ca 0.40 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.67 1n9k s ILE 108 Cb -0.20 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 1n9k s ILE 108 CO 0.23 0.45 -0.17 -0.36 0.00 0.00 0.00 174.94 175.08 1n9k s PHE 109 N 1.06 2.59 -0.17 3.97 0.08 -0.06 -3.17 117.98 122.27 1n9k s PHE 109 Ca 0.01 -0.24 -0.01 0.00 0.12 0.00 0.00 56.93 56.81 1n9k s PHE 109 Cb -0.15 -1.50 -0.00 0.00 -0.57 0.00 0.00 43.02 40.80 1n9k s PHE 109 CO 0.00 0.23 -0.13 -0.06 -0.10 0.00 0.00 175.22 175.16 1n9k s PHE 110 N -0.87 2.83 -0.22 0.36 0.08 -1.26 -0.02 117.98 118.88 1n9k s PHE 110 Ca 0.14 -1.09 0.01 0.00 0.12 0.00 0.00 56.93 56.11 1n9k s PHE 110 Cb -0.11 -1.95 0.03 0.00 -0.57 0.00 0.00 43.02 40.43 1n9k s PHE 110 CO 0.04 -0.53 -0.14 0.08 -0.10 0.00 0.00 175.22 174.57 1n9k s VAL 111 N 1.03 2.28 0.24 -0.44 1.01 -0.16 -0.53 120.40 123.83 1n9k s VAL 111 Ca -0.01 -1.19 0.11 0.00 0.00 0.00 0.00 61.98 60.88 1n9k s VAL 111 Cb -0.15 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 1n9k s VAL 111 CO -0.03 0.27 -0.15 0.28 0.00 0.00 0.00 175.10 175.47 1n9k s THR 112 N 1.23 2.76 -2.81 3.92 -1.32 0.10 -4.09 115.64 115.43 1n9k s THR 112 Ca -0.01 -2.09 0.25 0.00 -1.21 0.00 0.00 61.69 58.63 1n9k s THR 112 Cb -0.16 -2.41 0.32 0.00 -1.51 0.00 0.00 72.50 68.74 1n9k s THR 112 CO -0.08 -0.27 1.43 0.61 -2.21 0.00 0.00 174.62 174.09 1n9k n GLY 113 N -0.34 0.68 3.67 6.08 0.00 -1.26 -0.45 105.19 113.57 1n9k n GLY 113 Ca -0.08 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 1n9k n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n9k n ARG 114 N 0.95 1.26 -2.10 1.61 1.74 -1.26 -4.90 116.66 113.96 1n9k n ARG 114 Ca 0.16 0.47 -0.41 0.00 -0.77 0.00 0.00 57.85 57.30 1n9k n ARG 114 Cb 0.52 -2.31 -0.02 0.00 -1.02 0.00 0.00 32.46 29.62 1n9k n ARG 114 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1n9k s SER 115 N -1.05 6.75 0.64 0.55 0.01 -1.26 -4.68 113.70 114.67 1n9k s SER 115 Ca 0.73 2.67 -0.15 0.00 1.31 0.00 0.00 55.95 60.51 1n9k s SER 115 Cb -0.44 -2.64 -0.01 0.00 0.21 0.00 0.00 66.02 63.14 1n9k s SER 115 CO 0.49 -0.57 1.09 -2.16 0.41 0.00 0.00 173.24 172.50 1n9k s PRO 116 N -1.46 2.94 0.16 12.44 0.04 -1.26 -5.00 135.00 142.87 1n9k s PRO 116 Ca 0.51 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1n9k s PRO 116 Cb -0.40 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 1n9k s PRO 116 CO 0.51 -1.13 0.03 0.95 0.04 0.00 0.00 177.00 177.40 1n9k s THR 117 N -2.42 0.41 0.15 1.26 -4.23 -1.26 -4.99 115.64 104.56 1n9k s THR 117 Ca 0.65 -1.95 -0.28 0.00 -1.18 0.00 0.00 61.69 58.93 1n9k s THR 117 Cb -0.19 -2.10 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 1n9k s THR 117 CO 0.41 -0.46 1.57 0.11 -0.54 0.00 0.00 174.62 175.71 1n9k h LYS 118 N 2.76 -0.32 -5.53 3.99 6.56 -1.99 -3.43 116.57 118.62 1n9k h LYS 118 Ca -0.36 0.02 -0.53 0.00 -1.06 0.00 0.00 60.65 58.73 1n9k h LYS 118 Cb 1.20 0.07 -0.14 0.00 -0.57 0.00 0.00 32.23 32.80 1n9k h LYS 118 CO 0.61 -0.22 -0.65 0.95 -2.06 0.00 0.00 179.45 178.09 1n9k s THR 119 N -5.79 1.68 -0.23 -0.16 -4.23 -1.26 -5.15 115.64 100.50 1n9k s THR 119 Ca -0.15 -2.09 -0.15 0.00 -1.18 0.00 0.00 61.69 58.12 1n9k s THR 119 Cb 0.11 -2.63 0.07 0.00 1.34 0.00 0.00 72.50 71.38 1n9k s THR 119 CO 0.64 -0.18 0.57 -1.83 -0.54 0.00 0.00 174.62 173.28 1n9k s GLU 120 N -3.74 0.60 -0.10 3.99 4.04 -1.26 -4.73 118.70 117.50 1n9k s GLU 120 Ca 0.32 0.96 0.14 0.00 0.04 0.00 0.00 54.97 56.44 1n9k s GLU 120 Cb 0.06 0.15 0.47 0.00 0.02 0.00 0.00 34.13 34.83 1n9k s GLU 120 CO 0.14 -0.13 1.39 0.25 -1.84 0.00 0.00 175.26 175.07 1n9k n THR 121 N 3.82 1.69 -0.08 1.83 -2.24 0.65 -4.57 114.28 115.38 1n9k n THR 121 Ca -0.19 -1.40 -0.13 0.00 -2.27 0.00 0.00 64.05 60.06 1n9k n THR 121 Cb 0.57 0.12 -0.05 0.00 -2.10 0.00 0.00 70.33 68.86 1n9k n THR 121 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1n9k h VAL 122 N 2.29 1.32 -0.68 2.28 2.07 -1.94 -1.00 116.25 120.59 1n9k h VAL 122 Ca 0.00 -1.30 0.12 0.00 0.82 0.00 0.00 66.70 66.35 1n9k h VAL 122 Cb 1.16 1.67 -0.09 0.00 -1.52 0.00 0.00 31.29 32.51 1n9k h VAL 122 CO 0.14 0.40 0.24 0.28 0.02 0.00 0.00 177.57 178.64 1n9k h SER 123 N 0.20 0.19 -0.29 0.57 0.02 -1.93 -0.98 113.55 111.34 1n9k h SER 123 Ca 0.04 0.10 -0.13 0.00 -0.84 0.00 0.00 61.79 60.97 1n9k h SER 123 Cb 0.70 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 1n9k h SER 123 CO 0.04 0.08 -0.29 0.50 -1.14 0.00 0.00 176.83 176.03 1n9k h LYS 124 N 0.38 0.80 -0.86 3.45 3.64 -1.86 -0.76 116.57 121.36 1n9k h LYS 124 Ca 0.37 -0.36 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1n9k h LYS 124 Cb 0.53 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 1n9k h LYS 124 CO -0.39 0.99 0.57 1.15 -2.27 0.00 0.00 179.45 179.50 1n9k h THR 125 N 0.68 1.22 -0.10 1.00 2.02 0.07 -0.18 112.91 117.61 1n9k h THR 125 Ca 0.08 -0.40 -0.11 0.00 0.77 0.00 0.00 66.41 66.75 1n9k h THR 125 Cb 0.83 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1n9k h THR 125 CO 0.07 0.21 -0.36 -0.07 0.37 0.00 0.00 175.52 175.74 1n9k h LEU 126 N 1.16 0.49 -0.98 2.58 3.38 -1.03 0.52 115.31 121.43 1n9k h LEU 126 Ca 0.32 -0.62 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1n9k h LEU 126 Cb -0.12 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1n9k h LEU 126 CO -0.07 1.03 0.30 0.00 0.09 0.00 0.00 178.44 179.79 1n9k h ALA 127 N 0.47 1.19 0.21 1.53 0.00 -1.03 -0.69 119.26 120.94 1n9k h ALA 127 Ca -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1n9k h ALA 127 Cb 1.00 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1n9k h ALA 127 CO 0.08 0.59 -0.10 -0.44 0.00 0.00 0.00 179.25 179.38 1n9k h ASP 128 N 1.02 -0.23 -0.31 0.00 3.32 -0.97 -1.92 116.42 117.32 1n9k h ASP 128 Ca 0.24 -0.26 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 1n9k h ASP 128 Cb 0.17 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1n9k h ASP 128 CO -0.02 0.17 -0.09 0.78 -1.72 0.00 0.00 179.24 178.36 1n9k h ASN 129 N -0.69 0.70 -0.50 6.45 2.35 -0.79 -2.64 115.58 120.47 1n9k h ASN 129 Ca -0.03 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1n9k h ASN 129 Cb 0.48 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1n9k h ASN 129 CO 0.05 0.83 0.00 0.49 -1.65 0.00 0.00 177.43 177.14 1n9k n PHE 130 N -4.18 0.65 -3.82 1.19 3.72 -0.27 -4.96 117.46 109.79 1n9k n PHE 130 Ca 0.01 -0.33 -0.26 0.00 -0.05 0.00 0.00 57.45 56.83 1n9k n PHE 130 Cb 0.34 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.89 1n9k n PHE 130 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1n9k n HIS 131 N 1.17 -1.78 -3.30 1.38 8.25 -0.85 -4.83 115.22 115.26 1n9k n HIS 131 Ca 0.19 0.70 -0.40 0.00 -0.26 0.00 0.00 57.72 57.96 1n9k n HIS 131 Cb 0.50 -3.84 -0.08 0.00 1.12 0.00 0.00 29.99 27.69 1n9k n HIS 131 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1n9k s ILE 132 N -3.77 5.12 0.24 1.59 1.01 -0.78 -5.03 121.20 119.58 1n9k s ILE 132 Ca 0.12 0.76 -0.31 0.00 0.00 0.00 0.00 60.65 61.21 1n9k s ILE 132 Cb -0.04 -3.77 -0.12 0.00 0.01 0.00 0.00 42.46 38.53 1n9k s ILE 132 CO 0.86 0.12 1.60 -2.65 0.00 0.00 0.00 174.94 174.87 1n9k n PRO 133 N 5.41 2.54 -0.43 2.79 -0.02 -1.26 -4.77 135.00 139.25 1n9k n PRO 133 Ca -0.06 0.91 0.36 0.00 -2.02 0.00 0.00 63.50 62.69 1n9k n PRO 133 Cb 0.50 -2.69 0.64 0.00 -0.02 0.00 0.00 33.50 31.93 1n9k n PRO 133 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n9k h ALA 134 N 5.41 2.70 -0.29 3.55 0.00 -1.96 0.36 119.26 129.03 1n9k h ALA 134 Ca -0.45 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 1n9k h ALA 134 Cb 1.23 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1n9k h ALA 134 CO 0.85 -1.31 -0.13 0.00 0.00 0.00 0.00 179.25 178.66 1n9k h THR 135 N 0.11 1.23 0.00 0.00 1.03 -2.01 -2.95 112.91 110.32 1n9k h THR 135 Ca 0.80 -1.02 -0.19 0.00 -0.01 0.00 0.00 66.41 65.99 1n9k h THR 135 Cb 2.49 1.16 -0.03 0.00 -1.07 0.00 0.00 68.15 70.69 1n9k h THR 135 CO -0.40 0.33 -1.25 0.78 -0.01 0.00 0.00 175.52 174.97 1n9k h ASN 136 N 0.45 0.00 -4.12 0.00 2.35 -0.69 -3.48 115.58 110.08 1n9k h ASN 136 Ca 0.08 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.36 1n9k h ASN 136 Cb 0.50 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.89 1n9k h ASN 136 CO 0.03 0.72 0.37 -0.32 -1.65 0.00 0.00 177.43 176.58 1n9k s MET 137 N -2.83 3.83 -0.02 0.81 1.75 0.06 -0.45 119.30 122.45 1n9k s MET 137 Ca -0.01 1.19 -0.03 0.00 -1.25 0.00 0.00 55.69 55.59 1n9k s MET 137 Cb 0.08 -2.11 0.00 0.00 2.84 0.00 0.00 34.83 35.65 1n9k s MET 137 CO 0.80 -0.39 0.07 -0.80 -0.65 0.00 0.00 175.02 174.06 1n9k s ASN 138 N -2.42 -0.04 0.60 1.11 0.01 -1.19 -4.87 114.94 108.14 1n9k s ASN 138 Ca 0.64 0.07 -0.19 0.00 -0.71 0.00 0.00 52.86 52.67 1n9k s ASN 138 Cb -0.13 0.16 -0.03 0.00 0.41 0.00 0.00 41.25 41.65 1n9k s ASN 138 CO 0.24 -0.08 1.22 -2.16 -1.51 0.00 0.00 177.10 174.81 1n9k s PRO 139 N -0.19 2.91 0.35 -0.60 0.04 -1.26 -4.64 135.00 131.62 1n9k s PRO 139 Ca -0.02 1.85 -0.29 0.00 0.04 0.00 0.00 61.00 62.58 1n9k s PRO 139 Cb -0.02 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.49 1n9k s PRO 139 CO 0.00 -1.26 1.53 0.08 0.04 0.00 0.00 177.00 177.40 1n9k s VAL 140 N -1.58 2.01 -0.26 -0.36 1.01 -1.26 -4.70 120.40 115.25 1n9k s VAL 140 Ca 0.78 0.01 -0.10 0.00 0.00 0.00 0.00 61.98 62.66 1n9k s VAL 140 Cb -0.31 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1n9k s VAL 140 CO 0.34 0.00 0.16 -0.63 0.00 0.00 0.00 175.10 174.97 1n9k s ILE 141 N -0.77 5.23 -0.42 2.22 1.01 0.31 -5.01 121.20 123.77 1n9k s ILE 141 Ca 0.56 0.14 -0.18 0.00 0.00 0.00 0.00 60.65 61.17 1n9k s ILE 141 Cb -0.47 -3.46 0.02 0.00 0.01 0.00 0.00 42.46 38.56 1n9k s ILE 141 CO 0.59 0.31 0.51 -0.36 0.00 0.00 0.00 174.94 175.99 1n9k s PHE 142 N 1.38 3.14 0.19 3.97 0.08 -1.26 0.02 117.98 125.49 1n9k s PHE 142 Ca 0.07 -0.23 0.08 0.00 0.12 0.00 0.00 56.93 56.97 1n9k s PHE 142 Cb -0.15 -3.04 -0.04 0.00 -0.57 0.00 0.00 43.02 39.22 1n9k s PHE 142 CO 0.07 -0.74 0.00 0.00 -0.10 0.00 0.00 175.22 174.45 1n9k s ALA 143 N 2.38 3.20 0.00 5.36 0.00 0.40 -4.80 121.76 128.31 1n9k s ALA 143 Ca 0.16 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1n9k s ALA 143 Cb -0.16 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 21.99 1n9k s ALA 143 CO 0.15 0.45 0.00 0.41 0.00 0.00 0.00 175.76 176.77 1n9k n GLY 144 N -0.24 -0.73 0.73 0.00 0.00 -0.47 -4.36 105.19 100.12 1n9k n GLY 144 Ca -0.09 -0.86 0.08 0.00 0.00 0.00 0.00 46.02 45.15 1n9k n GLY 144 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n9k n ASP 145 N 0.32 3.46 -4.83 1.61 5.68 -1.26 -3.08 116.55 118.46 1n9k n ASP 145 Ca 0.00 -2.75 -0.32 0.00 -0.50 0.00 0.00 54.79 51.22 1n9k n ASP 145 Cb 0.00 -0.44 -0.03 0.00 -1.14 0.00 0.00 41.12 39.51 1n9k n ASP 145 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1n9k s LYS 146 N -2.33 3.82 0.22 0.11 1.02 -1.26 -4.96 119.74 116.36 1n9k s LYS 146 Ca 0.35 1.03 -0.30 0.00 0.02 0.00 0.00 55.97 57.07 1n9k s LYS 146 Cb 0.27 -2.11 -0.09 0.00 -0.52 0.00 0.00 37.83 35.37 1n9k s LYS 146 CO 0.10 -0.38 1.38 -1.25 -0.92 0.00 0.00 175.35 174.28 1n9k s PRO 147 N -4.01 4.32 0.00 -1.68 0.04 -1.26 0.18 135.00 132.60 1n9k s PRO 147 Ca 0.60 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.83 1n9k s PRO 147 Cb -0.11 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1n9k s PRO 147 CO 0.31 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.41 1n9k n GLY 148 N 2.36 0.75 3.57 0.56 0.00 -1.26 -5.06 105.19 106.12 1n9k n GLY 148 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 1n9k n GLY 148 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n9k s GLN 149 N -0.39 2.06 0.22 1.61 -0.21 0.13 -5.12 119.66 117.96 1n9k s GLN 149 Ca 0.00 -1.40 0.07 0.00 0.02 0.00 0.00 55.36 54.04 1n9k s GLN 149 Cb 0.00 -2.09 -0.04 0.00 1.00 0.00 0.00 33.01 31.88 1n9k s GLN 149 CO 0.00 0.39 0.14 -0.80 -2.12 0.00 0.00 175.29 172.90 1n9k s ASN 150 N -3.21 5.33 0.78 5.90 0.02 -1.26 -4.79 114.94 117.71 1n9k s ASN 150 Ca 0.28 -0.28 -0.11 0.00 -1.02 0.00 0.00 52.86 51.73 1n9k s ASN 150 Cb -0.07 -1.31 0.06 0.00 0.02 0.00 0.00 41.25 39.94 1n9k s ASN 150 CO 0.17 0.01 1.09 0.42 0.02 0.00 0.00 177.10 178.81 1n9k s THR 151 N -2.00 3.20 0.20 1.60 -4.23 -1.18 -1.37 115.64 111.86 1n9k s THR 151 Ca 0.32 0.39 -0.11 0.00 -1.18 0.00 0.00 61.69 61.11 1n9k s THR 151 Cb -0.08 -3.15 0.13 0.00 1.34 0.00 0.00 72.50 70.73 1n9k s THR 151 CO 0.23 -0.51 1.74 0.50 -0.54 0.00 0.00 174.62 176.04 1n9k h LYS 152 N -1.02 0.34 -0.86 3.99 3.64 -1.88 -0.39 116.57 120.40 1n9k h LYS 152 Ca -0.46 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 58.93 1n9k h LYS 152 Cb 1.26 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.95 1n9k h LYS 152 CO 0.59 0.23 0.55 0.77 -2.27 0.00 0.00 179.45 179.32 1n9k h SER 153 N 0.35 0.92 -0.57 4.20 0.02 -1.93 0.15 113.55 116.69 1n9k h SER 153 Ca 0.28 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.11 1n9k h SER 153 Cb 0.35 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1n9k h SER 153 CO -0.30 0.64 -0.07 1.56 -1.14 0.00 0.00 176.83 177.52 1n9k h GLN 154 N 1.08 1.05 -0.81 3.45 4.20 -1.73 -0.99 115.11 121.37 1n9k h GLN 154 Ca 0.34 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1n9k h GLN 154 Cb -0.01 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.66 1n9k h GLN 154 CO -0.11 1.07 0.41 -1.49 -0.67 0.00 0.00 178.83 178.04 1n9k h TRP 155 N 0.94 1.13 -0.34 2.96 4.06 -0.25 0.60 115.95 125.05 1n9k h TRP 155 Ca 0.15 -0.04 -0.04 0.00 2.06 0.00 0.00 58.89 61.03 1n9k h TRP 155 Cb 0.64 -0.36 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 1n9k h TRP 155 CO 0.04 0.80 0.07 -0.07 -3.56 0.00 0.00 178.44 175.73 1n9k h LEU 156 N 1.14 0.53 0.07 -4.49 3.38 -0.13 -0.39 115.31 115.43 1n9k h LEU 156 Ca 0.28 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1n9k h LEU 156 Cb 0.07 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1n9k h LEU 156 CO -0.04 0.64 -0.16 -0.61 0.09 0.00 0.00 178.44 178.36 1n9k h GLN 157 N 0.40 -0.29 -0.71 1.13 5.75 -1.01 -1.55 115.11 118.84 1n9k h GLN 157 Ca 0.11 0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.69 1n9k h GLN 157 Cb 0.32 0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.88 1n9k h GLN 157 CO 0.00 -0.19 0.40 0.22 -2.65 0.00 0.00 178.83 176.61 1n9k h ASP 158 N -0.30 0.60 -0.15 -0.69 1.82 0.40 -1.42 116.42 116.69 1n9k h ASP 158 Ca 0.03 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1n9k h ASP 158 Cb 0.33 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.25 1n9k h ASP 158 CO -0.11 0.39 0.00 0.29 -1.61 0.00 0.00 179.24 178.20 1n9k n LYS 159 N -4.76 1.54 -4.15 0.28 4.76 -0.17 -4.93 118.16 110.72 1n9k n LYS 159 Ca 0.09 -0.81 -0.34 0.00 -2.87 0.00 0.00 58.31 54.39 1n9k n LYS 159 Cb 0.18 -1.33 -0.02 0.00 -1.84 0.00 0.00 35.03 32.01 1n9k n LYS 159 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1n9k n ASN 160 N 0.06 -2.68 -4.68 4.39 5.15 -0.53 -4.79 115.26 112.17 1n9k n ASN 160 Ca 0.14 -1.00 -0.42 0.00 -0.60 0.00 0.00 54.58 52.69 1n9k n ASN 160 Cb 0.25 -2.87 -0.03 0.00 -0.53 0.00 0.00 39.78 36.61 1n9k n ASN 160 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1n9k s ILE 161 N -3.46 4.20 -0.13 -1.44 1.01 -0.63 -4.19 121.20 116.56 1n9k s ILE 161 Ca 0.56 1.52 0.19 0.00 0.00 0.00 0.00 60.65 62.92 1n9k s ILE 161 Cb -0.31 -3.97 -0.19 0.00 0.01 0.00 0.00 42.46 37.99 1n9k s ILE 161 CO 0.92 -0.03 0.61 0.54 0.00 0.00 0.00 174.94 176.98 1n9k n ARG 162 N 5.52 0.64 -4.13 2.79 5.12 -0.15 -4.74 116.66 121.72 1n9k n ARG 162 Ca 0.12 0.05 -0.19 0.00 -1.93 0.00 0.00 57.85 55.90 1n9k n ARG 162 Cb 0.46 -1.68 -0.16 0.00 -1.16 0.00 0.00 32.46 29.92 1n9k n ARG 162 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1n9k s ILE 163 N -3.06 0.45 -0.14 0.55 1.01 -1.26 0.11 121.20 118.86 1n9k s ILE 163 Ca -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.50 1n9k s ILE 163 Cb 0.10 -0.48 0.02 0.00 0.01 0.00 0.00 42.46 42.11 1n9k s ILE 163 CO 0.84 0.19 -0.13 0.12 0.00 0.00 0.00 174.94 175.97 1n9k s PHE 164 N 0.78 2.02 -0.15 3.97 5.36 -0.47 -0.26 117.98 129.22 1n9k s PHE 164 Ca -0.10 -1.11 -0.11 0.00 -0.96 0.00 0.00 56.93 54.65 1n9k s PHE 164 Cb -0.13 -1.51 -0.05 0.00 -0.34 0.00 0.00 43.02 40.99 1n9k s PHE 164 CO -0.00 -0.63 0.22 0.71 -1.46 0.00 0.00 175.22 174.06 1n9k s TYR 165 N 1.52 3.50 0.06 10.12 2.02 -0.59 -0.53 117.35 133.45 1n9k s TYR 165 Ca 0.05 0.53 -0.27 0.00 -0.37 0.00 0.00 57.07 57.01 1n9k s TYR 165 Cb -0.13 -2.19 0.09 0.00 -0.40 0.00 0.00 41.96 39.32 1n9k s TYR 165 CO -0.10 0.40 0.92 0.20 -1.57 0.00 0.00 175.55 175.40 1n9k s GLY 166 N -0.03 -0.37 0.05 0.71 0.00 -0.80 -1.12 107.32 105.77 1n9k s GLY 166 Ca 0.14 0.62 0.20 0.00 0.00 0.00 0.00 44.72 45.69 1n9k s GLY 166 CO 0.03 0.19 0.71 2.09 0.00 0.00 0.00 173.10 176.12 1n9k n ASP 167 N -0.35 0.52 -4.93 1.64 5.75 -1.25 -1.60 116.55 116.33 1n9k n ASP 167 Ca -0.08 0.22 -0.27 0.00 -0.01 0.00 0.00 54.79 54.65 1n9k n ASP 167 Cb 0.61 0.85 -0.03 0.00 -1.03 0.00 0.00 41.12 41.53 1n9k n ASP 167 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1n9k s SER 168 N -5.27 6.39 0.24 -1.12 0.01 -1.26 -4.75 113.70 107.93 1n9k s SER 168 Ca -0.04 0.42 -0.06 0.00 1.31 0.00 0.00 55.95 57.57 1n9k s SER 168 Cb 0.10 -2.02 0.42 0.00 0.21 0.00 0.00 66.02 64.73 1n9k s SER 168 CO 0.83 -0.06 1.69 0.44 0.41 0.00 0.00 173.24 176.56 1n9k h ASP 169 N 1.96 0.04 0.10 2.44 5.19 -1.94 -1.03 116.42 123.17 1n9k h ASP 169 Ca -0.48 0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.05 1n9k h ASP 169 Cb 1.19 0.17 -0.00 0.00 0.18 0.00 0.00 39.33 40.87 1n9k h ASP 169 CO 0.68 -0.01 -0.06 -0.55 -3.12 0.00 0.00 179.24 176.18 1n9k h ASN 170 N 0.28 0.00 -0.46 6.45 7.08 -1.98 0.34 115.58 127.30 1n9k h ASN 170 Ca 0.39 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.59 1n9k h ASN 170 Cb 0.63 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.85 1n9k h ASN 170 CO -0.47 0.06 0.22 0.44 -2.08 0.00 0.00 177.43 175.60 1n9k h ASP 171 N 0.00 0.60 -0.02 6.14 3.32 -1.56 0.11 116.42 125.01 1n9k h ASP 171 Ca -0.00 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 56.81 1n9k h ASP 171 Cb 0.13 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.53 1n9k h ASP 171 CO 0.01 0.57 -0.40 0.40 -1.72 0.00 0.00 179.24 178.09 1n9k h ILE 172 N 0.60 1.47 -0.44 0.35 1.08 -1.13 -2.42 117.51 117.02 1n9k h ILE 172 Ca 0.16 -1.93 -0.11 0.00 -0.39 0.00 0.00 64.86 62.58 1n9k h ILE 172 Cb 0.13 2.58 -0.02 0.00 -3.07 0.00 0.00 36.82 36.44 1n9k h ILE 172 CO -0.02 0.55 -0.17 0.71 -0.69 0.00 0.00 178.15 178.53 1n9k h THR 173 N -0.26 1.27 -0.50 -0.27 1.35 -1.02 -0.15 112.91 113.33 1n9k h THR 173 Ca -0.04 -1.28 0.04 0.00 -0.55 0.00 0.00 66.41 64.58 1n9k h THR 173 Cb 1.11 1.11 -0.04 0.00 -1.73 0.00 0.00 68.15 68.60 1n9k h THR 173 CO 0.08 0.43 0.25 0.00 -0.25 0.00 0.00 175.52 176.04 1n9k h ALA 174 N 1.07 0.64 -0.15 6.62 0.00 -0.78 0.19 119.26 126.84 1n9k h ALA 174 Ca 0.11 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1n9k h ALA 174 Cb 0.68 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1n9k h ALA 174 CO 0.05 -0.10 -0.12 0.00 0.00 0.00 0.00 179.25 179.09 1n9k h ALA 175 N 1.27 -0.00 -0.91 0.00 0.00 -0.99 -2.94 119.26 115.68 1n9k h ALA 175 Ca 0.22 0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.32 1n9k h ALA 175 Cb 0.13 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.09 1n9k h ALA 175 CO -0.16 -0.56 0.53 -0.09 0.00 0.00 0.00 179.25 178.98 1n9k h ARG 176 N -0.13 0.78 -1.00 0.00 9.65 -0.22 -1.82 114.38 121.65 1n9k h ARG 176 Ca 0.10 -0.05 0.20 0.00 -1.10 0.00 0.00 59.98 59.13 1n9k h ARG 176 Cb 0.27 -0.17 -0.10 0.00 -1.39 0.00 0.00 29.97 28.57 1n9k h ARG 176 CO -0.23 0.51 0.61 -0.44 2.80 0.00 0.00 179.97 183.23 1n9k h ASP 177 N 0.80 0.73 -0.35 -3.80 3.32 -0.80 -2.20 116.42 114.12 1n9k h ASP 177 Ca 0.48 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.62 1n9k h ASP 177 Cb 0.57 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1n9k h ASP 177 CO -0.31 0.25 0.00 1.33 -1.72 0.00 0.00 179.24 178.79 1n9k n VAL 178 N -4.73 1.29 -1.17 -1.35 0.24 -0.95 -4.97 118.33 106.68 1n9k n VAL 178 Ca 0.23 -1.18 -0.06 0.00 -2.04 0.00 0.00 64.34 61.29 1n9k n VAL 178 Cb 0.61 0.34 -0.03 0.00 -1.47 0.00 0.00 33.84 33.29 1n9k n VAL 178 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n9k n GLY 179 N 0.37 0.83 3.92 7.63 0.00 -0.83 -4.96 105.19 112.14 1n9k n GLY 179 Ca 0.14 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.34 1n9k n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n9k s ALA 180 N -2.15 3.46 -0.57 4.61 0.00 -0.72 -5.01 121.76 121.38 1n9k s ALA 180 Ca 0.00 -0.61 -0.28 0.00 0.00 0.00 0.00 51.96 51.07 1n9k s ALA 180 Cb 0.00 -2.49 0.03 0.00 0.00 0.00 0.00 23.12 20.66 1n9k s ALA 180 CO 0.00 -0.32 1.20 0.50 0.00 0.00 0.00 175.76 177.13 1n9k s ARG 181 N -4.68 3.53 -0.11 0.00 3.52 0.12 -4.18 118.95 117.15 1n9k s ARG 181 Ca 0.47 0.29 -0.30 0.00 -0.13 0.00 0.00 55.73 56.06 1n9k s ARG 181 Cb -0.10 -4.01 -0.01 0.00 -1.56 0.00 0.00 34.95 29.27 1n9k s ARG 181 CO 0.43 -1.66 1.01 0.20 -0.81 0.00 0.00 175.30 174.46 1n9k s GLY 182 N 2.97 2.35 -0.10 8.12 0.00 -1.26 -1.37 107.32 118.02 1n9k s GLY 182 Ca 0.44 0.37 0.02 0.00 0.00 0.00 0.00 44.72 45.55 1n9k s GLY 182 CO 0.26 1.92 -0.16 -0.42 0.00 0.00 0.00 173.10 174.70 1n9k s ILE 183 N 2.03 1.54 0.06 0.90 1.01 0.31 -4.38 121.20 122.68 1n9k s ILE 183 Ca 0.48 -0.68 -0.20 0.00 0.00 0.00 0.00 60.65 60.25 1n9k s ILE 183 Cb -0.18 -1.40 -0.07 0.00 0.01 0.00 0.00 42.46 40.83 1n9k s ILE 183 CO 0.18 0.45 0.58 -0.60 0.00 0.00 0.00 174.94 175.55 1n9k s ARG 184 N 0.86 4.24 -0.06 2.79 6.06 0.02 -1.90 118.95 130.96 1n9k s ARG 184 Ca -0.09 0.76 0.03 0.00 -2.50 0.00 0.00 55.73 53.93 1n9k s ARG 184 Cb -0.15 -3.26 -0.02 0.00 0.06 0.00 0.00 34.95 31.57 1n9k s ARG 184 CO 0.00 0.59 -0.15 0.42 -2.50 0.00 0.00 175.30 173.66 1n9k s ILE 185 N -0.95 2.99 0.06 4.11 1.01 -0.63 -0.73 121.20 127.07 1n9k s ILE 185 Ca 0.30 -0.74 -0.31 0.00 0.00 0.00 0.00 60.65 59.90 1n9k s ILE 185 Cb -0.19 -2.18 -0.06 0.00 0.01 0.00 0.00 42.46 40.03 1n9k s ILE 185 CO 0.19 0.58 1.28 -0.76 0.00 0.00 0.00 174.94 176.23 1n9k s LEU 186 N -0.52 4.36 0.15 2.97 1.43 -1.26 -3.96 118.68 121.85 1n9k s LEU 186 Ca 0.07 2.10 -0.30 0.00 -1.03 0.00 0.00 54.13 54.97 1n9k s LEU 186 Cb -0.12 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.45 1n9k s LEU 186 CO 0.01 -0.56 1.17 -0.60 0.23 0.00 0.00 176.35 176.61 1n9k s ARG 187 N 1.32 4.50 0.54 1.70 3.52 -1.26 -3.77 118.95 125.50 1n9k s ARG 187 Ca 0.61 1.80 -0.21 0.00 -0.13 0.00 0.00 55.73 57.80 1n9k s ARG 187 Cb -0.31 -3.28 -0.05 0.00 -1.56 0.00 0.00 34.95 29.74 1n9k s ARG 187 CO 0.29 -0.10 1.28 0.00 -0.81 0.00 0.00 175.30 175.96 1n9k s ALA 188 N 0.24 2.77 -0.63 6.12 0.00 -1.26 -4.91 121.76 124.09 1n9k s ALA 188 Ca 0.54 1.17 0.24 0.00 0.00 0.00 0.00 51.96 53.91 1n9k s ALA 188 Cb -0.31 -3.50 0.91 0.00 0.00 0.00 0.00 23.12 20.22 1n9k s ALA 188 CO 0.34 -1.18 1.73 -1.13 0.00 0.00 0.00 175.76 175.52 1n9k n SER 189 N -1.06 0.64 -0.90 0.00 3.41 -1.26 -1.78 113.62 112.66 1n9k n SER 189 Ca 0.11 0.61 0.10 0.00 -0.26 0.00 0.00 58.87 59.43 1n9k n SER 189 Cb 0.47 -0.76 0.27 0.00 -0.26 0.00 0.00 64.21 63.92 1n9k n SER 189 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1n9k n ASN 190 N -2.16 2.65 -4.71 4.04 0.23 -1.26 -4.93 115.26 109.12 1n9k n ASN 190 Ca 0.04 -1.91 -0.35 0.00 -0.53 0.00 0.00 54.58 51.82 1n9k n ASN 190 Cb 0.30 -0.25 0.10 0.00 -2.08 0.00 0.00 39.78 37.85 1n9k n ASN 190 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1n9k s SER 191 N -1.31 4.07 0.00 0.53 0.15 -0.73 -4.89 113.70 111.51 1n9k s SER 191 Ca 0.35 2.50 0.26 0.00 0.70 0.00 0.00 55.95 59.76 1n9k s SER 191 Cb 0.19 -2.60 0.63 0.00 -1.71 0.00 0.00 66.02 62.53 1n9k s SER 191 CO 0.27 -2.36 1.50 0.35 1.20 0.00 0.00 173.24 174.20 1n9k n THR 192 N -2.63 0.00 -3.05 6.45 -2.24 -1.26 -4.74 114.28 106.81 1n9k n THR 192 Ca 0.15 -0.29 -0.43 0.00 -2.27 0.00 0.00 64.05 61.21 1n9k n THR 192 Cb 0.49 0.83 -0.06 0.00 -2.10 0.00 0.00 70.33 69.49 1n9k n THR 192 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1n9k s TYR 193 N -2.18 2.99 0.08 4.78 5.04 -1.26 -5.02 117.35 121.78 1n9k s TYR 193 Ca 0.30 -0.22 0.03 0.00 -2.44 0.00 0.00 57.07 54.74 1n9k s TYR 193 Cb 0.20 -3.63 -0.03 0.00 0.35 0.00 0.00 41.96 38.85 1n9k s TYR 193 CO 0.40 -1.06 -0.10 0.15 -1.34 0.00 0.00 175.55 173.60 1n9k s LYS 194 N 3.06 0.76 0.66 4.97 -0.14 -1.26 -4.35 119.74 123.44 1n9k s LYS 194 Ca 0.22 -1.03 -0.14 0.00 -1.36 0.00 0.00 55.97 53.66 1n9k s LYS 194 Cb -0.16 -0.51 -0.00 0.00 -1.68 0.00 0.00 37.83 35.49 1n9k s LYS 194 CO 0.16 0.09 1.09 -1.25 -0.76 0.00 0.00 175.35 174.68 1n9k s PRO 195 N -2.35 2.86 0.33 -1.68 0.04 -1.26 -5.11 135.00 127.83 1n9k s PRO 195 Ca 0.00 1.28 -0.29 0.00 0.04 0.00 0.00 61.00 62.04 1n9k s PRO 195 Cb -0.06 -1.97 -0.12 0.00 0.04 0.00 0.00 34.50 32.40 1n9k s PRO 195 CO 0.00 -1.19 1.34 1.28 0.04 0.00 0.00 177.00 178.48 1n9k n LEU 196 N -2.52 3.67 -4.74 -3.56 4.77 -1.26 -4.97 117.00 108.39 1n9k n LEU 196 Ca 0.10 1.20 -0.32 0.00 -0.03 0.00 0.00 56.01 56.95 1n9k n LEU 196 Cb 0.52 -1.50 0.10 0.00 -2.33 0.00 0.00 43.42 40.22 1n9k n LEU 196 CO 0.49 -0.38 0.72 -2.84 -1.33 0.00 0.00 177.39 174.05 1n9k s PRO 197 N -1.64 2.04 -0.98 3.23 0.02 -1.26 -4.94 135.00 131.47 1n9k s PRO 197 Ca 0.57 1.42 -0.19 0.00 0.02 0.00 0.00 61.00 62.83 1n9k s PRO 197 Cb -0.56 -1.85 0.12 0.00 0.02 0.00 0.00 34.50 32.22 1n9k s PRO 197 CO 0.60 -1.85 1.21 -0.65 -0.33 0.00 0.00 177.00 175.99 1n9k s GLN 198 N -4.49 3.66 0.18 5.54 -1.52 -1.26 -4.97 119.66 116.80 1n9k s GLN 198 Ca 0.66 -1.77 -0.33 0.00 -1.95 0.00 0.00 55.36 51.98 1n9k s GLN 198 Cb -0.21 -5.00 -0.13 0.00 -0.22 0.00 0.00 33.01 27.44 1n9k s GLN 198 CO 0.51 -1.84 1.65 0.00 -0.25 0.00 0.00 175.29 175.36 1n9k n ALA 199 N 6.80 1.97 -0.38 6.09 0.00 -1.26 -1.67 120.51 132.05 1n9k n ALA 199 Ca 0.27 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.13 1n9k n ALA 199 Cb 0.49 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.51 1n9k n ALA 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n9k n GLY 200 N 3.67 0.72 0.34 0.00 0.00 -1.26 -4.97 105.19 103.68 1n9k n GLY 200 Ca 0.17 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.35 1n9k n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n9k h ALA 201 N 0.00 1.37 -0.27 4.61 0.00 -1.67 -2.20 119.26 121.10 1n9k h ALA 201 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n9k h ALA 201 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1n9k h ALA 201 CO 0.00 -0.33 0.00 1.19 0.00 0.00 0.00 179.25 180.11 1n9k n PHE 202 N -2.97 0.56 -1.06 0.00 3.72 -1.26 -4.94 117.46 111.50 1n9k n PHE 202 Ca -0.01 -0.65 -0.02 0.00 -0.05 0.00 0.00 57.45 56.72 1n9k n PHE 202 Cb 0.37 -0.13 -0.01 0.00 -0.94 0.00 0.00 39.48 38.77 1n9k n PHE 202 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1n9k n GLY 203 N -0.01 0.54 3.87 1.37 0.00 -0.83 -5.01 105.19 105.12 1n9k n GLY 203 Ca 0.14 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1n9k n GLY 203 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1n9k s GLU 204 N -1.30 3.27 0.40 1.61 1.03 -1.26 -4.85 118.70 117.61 1n9k s GLU 204 Ca 0.00 0.66 -0.27 0.00 0.03 0.00 0.00 54.97 55.39 1n9k s GLU 204 Cb 0.00 -2.05 -0.10 0.00 -0.80 0.00 0.00 34.13 31.18 1n9k s GLU 204 CO 0.00 -0.78 1.41 -1.21 -1.33 0.00 0.00 175.26 173.35 1n9k s GLU 205 N -5.23 3.97 -0.06 -4.83 2.02 -1.26 -4.35 118.70 108.96 1n9k s GLU 205 Ca 0.56 2.40 0.03 0.00 0.02 0.00 0.00 54.97 57.99 1n9k s GLU 205 Cb -0.11 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.29 1n9k s GLU 205 CO 0.53 -0.58 -0.15 0.08 0.02 0.00 0.00 175.26 175.16 1n9k s VAL 206 N -1.18 1.34 -0.08 2.63 1.01 0.34 -0.80 120.40 123.67 1n9k s VAL 206 Ca 0.56 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 1n9k s VAL 206 Cb -0.43 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 1n9k s VAL 206 CO 0.57 0.40 1.08 -0.63 0.00 0.00 0.00 175.10 176.51 1n9k s ILE 207 N 0.36 4.59 0.46 2.22 1.01 0.09 -1.21 121.20 128.72 1n9k s ILE 207 Ca -0.10 1.87 -0.24 0.00 0.00 0.00 0.00 60.65 62.18 1n9k s ILE 207 Cb -0.14 -4.20 -0.09 0.00 0.01 0.00 0.00 42.46 38.04 1n9k s ILE 207 CO 0.04 0.02 1.28 1.33 0.00 0.00 0.00 174.94 177.61 1n9k n VAL 208 N 4.51 2.85 -2.16 2.92 0.24 -0.60 -3.08 118.33 123.01 1n9k n VAL 208 Ca 0.09 -0.50 -0.19 0.00 -2.04 0.00 0.00 64.34 61.70 1n9k n VAL 208 Cb 0.48 -1.59 -0.03 0.00 -1.47 0.00 0.00 33.84 31.23 1n9k n VAL 208 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1n9k n ASN 209 N -0.09 -5.47 -0.98 -1.34 3.02 -1.26 -4.84 115.26 104.31 1n9k n ASN 209 Ca 0.07 0.15 0.05 0.00 -0.03 0.00 0.00 54.58 54.83 1n9k n ASN 209 Cb 0.41 -4.64 0.20 0.00 -0.61 0.00 0.00 39.78 35.13 1n9k n ASN 209 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1n9k n SER 210 N -1.76 2.80 0.00 6.41 3.41 -1.18 -3.94 113.62 119.37 1n9k n SER 210 Ca -0.22 -2.23 0.11 0.00 -0.26 0.00 0.00 58.87 56.27 1n9k n SER 210 Cb 0.67 -0.42 0.55 0.00 -0.26 0.00 0.00 64.21 64.75 1n9k n SER 210 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1n9k n GLU 211 N 0.52 0.25 0.00 4.33 0.00 -1.25 -4.05 120.64 120.44 1n9k n GLU 211 Ca 0.14 0.08 0.00 0.00 0.00 0.00 0.00 57.16 57.38 1n9k n GLU 211 Cb 0.54 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.48 1n9k n GLU 211 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.13 179.61