#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9k s SER 2 N 0.00 5.68 0.63 1.61 0.01 -1.26 -5.08 113.70 115.30 2e9k s SER 2 Ca 0.00 -0.82 -0.13 0.00 1.31 0.00 0.00 55.95 56.31 2e9k s SER 2 Cb 0.00 -2.02 -0.02 0.00 0.21 0.00 0.00 66.02 64.19 2e9k s SER 2 CO 0.00 -0.32 1.05 -0.94 0.41 0.00 0.00 173.24 173.44 2e9k s SER 3 N 1.58 5.77 0.00 2.44 1.04 -1.26 -4.45 113.70 118.82 2e9k s SER 3 Ca 0.03 1.63 0.00 0.00 0.48 0.00 0.00 55.95 58.09 2e9k s SER 3 Cb -0.18 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.43 2e9k s SER 3 CO 0.07 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.72 2e9k n GLY 4 N -1.80 3.64 3.04 7.32 0.00 -1.26 -5.07 105.19 111.05 2e9k n GLY 4 Ca 0.07 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 2e9k n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e9k s SER 5 N 0.00 1.58 0.37 1.61 0.01 -1.26 -5.15 113.70 110.86 2e9k s SER 5 Ca 0.00 -0.25 0.04 0.00 1.31 0.00 0.00 55.95 57.05 2e9k s SER 5 Cb 0.00 -0.51 0.04 0.00 0.21 0.00 0.00 66.02 65.76 2e9k s SER 5 CO 0.00 0.08 0.36 -1.20 0.41 0.00 0.00 173.24 172.89 2e9k n SER 6 N 3.40 1.89 0.00 2.44 7.64 -1.26 -4.83 113.62 122.90 2e9k n SER 6 Ca -0.20 -2.16 0.00 0.00 1.01 0.00 0.00 58.87 57.52 2e9k n SER 6 Cb 0.53 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 2e9k n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e9k n GLY 7 N 0.54 3.52 0.80 0.23 0.00 -1.26 -4.82 105.19 104.21 2e9k n GLY 7 Ca 0.03 -0.95 0.05 0.00 0.00 0.00 0.00 46.02 45.16 2e9k n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2e9k n ASP 8 N 0.00 1.45 -4.84 1.61 2.03 -1.26 -5.07 116.55 110.48 2e9k n ASP 8 Ca 0.00 -3.11 -0.21 0.00 0.52 0.00 0.00 54.79 51.99 2e9k n ASP 8 Cb 0.00 -0.43 -0.04 0.00 -0.72 0.00 0.00 41.12 39.93 2e9k n ASP 8 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2e9k s ILE 9 N -2.00 3.11 0.00 5.18 -1.09 -1.26 -5.09 121.20 120.05 2e9k s ILE 9 Ca 0.33 -1.43 0.00 0.00 -2.23 0.00 0.00 60.65 57.33 2e9k s ILE 9 Cb 0.34 -3.08 0.00 0.00 -1.58 0.00 0.00 42.46 38.14 2e9k s ILE 9 CO -0.08 -0.11 0.00 0.54 -1.23 0.00 0.00 174.94 174.06 2e9k n ARG 10 N -1.39 0.00 0.09 2.79 5.12 -1.26 -4.44 116.66 117.57 2e9k n ARG 10 Ca -0.00 0.12 -0.12 0.00 -1.93 0.00 0.00 57.85 55.92 2e9k n ARG 10 Cb 0.61 -0.60 -0.08 0.00 -1.16 0.00 0.00 32.46 31.22 2e9k n ARG 10 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2e9k h PRO 11 N 0.00 -0.26 -0.95 5.56 0.13 -2.00 -3.20 132.00 131.29 2e9k h PRO 11 Ca 0.00 0.02 0.24 0.00 -0.87 0.00 0.00 66.00 65.39 2e9k h PRO 11 Cb 0.00 0.06 -0.18 0.00 0.13 0.00 0.00 31.00 31.01 2e9k h PRO 11 CO 0.00 0.13 -0.06 0.43 -0.23 0.00 0.00 178.00 178.27 2e9k n SER 12 N -5.00 -0.18 0.31 1.44 7.64 -1.26 -0.13 113.62 116.43 2e9k n SER 12 Ca -0.09 1.61 -0.17 0.00 1.01 0.00 0.00 58.87 61.24 2e9k n SER 12 Cb 0.26 -0.56 -0.08 0.00 -1.01 0.00 0.00 64.21 62.82 2e9k n SER 12 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2e9k h LYS 13 N 0.00 -0.81 -0.75 1.43 1.79 -1.77 -2.77 116.57 113.69 2e9k h LYS 13 Ca 0.54 0.05 0.17 0.00 -2.18 0.00 0.00 60.65 59.23 2e9k h LYS 13 Cb 1.04 0.18 -0.12 0.00 -1.58 0.00 0.00 32.23 31.75 2e9k h LYS 13 CO -0.91 -0.54 0.13 1.25 -1.08 0.00 0.00 179.45 178.30 2e9k h LEU 14 N -0.84 -0.09 -0.72 2.94 5.85 -0.53 0.57 115.31 122.49 2e9k h LEU 14 Ca -0.07 0.16 0.15 0.00 0.84 0.00 0.00 57.88 58.97 2e9k h LEU 14 Cb 0.68 0.25 -0.11 0.00 0.37 0.00 0.00 40.66 41.85 2e9k h LEU 14 CO 0.07 -0.09 0.17 0.25 -0.34 0.00 0.00 178.44 178.49 2e9k h LEU 15 N 0.21 0.00 0.00 2.25 5.85 -0.92 -1.60 115.31 121.11 2e9k h LEU 15 Ca 0.43 0.14 0.03 0.00 0.84 0.00 0.00 57.88 59.32 2e9k h LEU 15 Cb 0.75 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 2e9k h LEU 15 CO -0.57 -0.03 -0.31 0.74 -0.34 0.00 0.00 178.44 177.93 2e9k h THR 16 N 0.27 0.31 -0.38 1.05 2.02 -0.71 0.13 112.91 115.60 2e9k h THR 16 Ca 0.40 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.67 2e9k h THR 16 Cb 0.68 0.31 -0.09 0.00 -1.74 0.00 0.00 68.15 67.32 2e9k h THR 16 CO -0.50 0.00 -0.23 -0.25 0.37 0.00 0.00 175.52 174.91 2e9k h TRP 17 N -0.47 -0.59 -0.08 3.16 7.01 -1.20 0.15 115.95 123.94 2e9k h TRP 17 Ca 0.06 0.05 0.02 0.00 2.11 0.00 0.00 58.89 61.12 2e9k h TRP 17 Cb 0.55 0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 27.92 2e9k h TRP 17 CO -0.34 -0.31 -0.02 0.00 -2.79 0.00 0.00 178.44 174.98 2e9k h GLN 19 N -0.01 0.45 0.09 0.00 4.20 0.07 -1.29 115.11 118.63 2e9k h GLN 19 Ca 0.04 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 2e9k h GLN 19 Cb 0.07 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2e9k h GLN 19 CO -0.08 0.30 -0.04 1.96 -0.67 0.00 0.00 178.83 180.29 2e9k h GLN 20 N 0.47 -0.12 -0.02 1.46 1.08 0.05 0.13 115.11 118.16 2e9k h GLN 20 Ca 0.26 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.49 2e9k h GLN 20 Cb 0.43 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 2e9k h GLN 20 CO -0.07 0.23 -0.09 1.96 -0.95 0.00 0.00 178.83 179.91 2e9k h GLN 21 N -0.49 -0.13 -0.36 1.46 1.08 -0.80 -2.42 115.11 113.44 2e9k h GLN 21 Ca -0.01 0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 2e9k h GLN 21 Cb 0.41 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.85 2e9k h GLN 21 CO 0.02 -0.09 -0.06 1.79 -0.95 0.00 0.00 178.83 179.54 2e9k h THR 22 N -0.14 1.23 -0.92 -0.54 1.35 -1.30 -3.45 112.91 109.14 2e9k h THR 22 Ca 0.04 -0.97 -0.76 0.00 -0.55 0.00 0.00 66.41 64.18 2e9k h THR 22 Cb 0.20 1.02 0.03 0.00 -1.73 0.00 0.00 68.15 67.66 2e9k h THR 22 CO -0.11 0.33 0.28 1.21 -0.25 0.00 0.00 175.52 176.98 2e9k n GLU 23 N -4.22 0.00 0.00 4.72 2.13 0.47 -0.78 120.64 122.95 2e9k n GLU 23 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 2e9k n GLU 23 Cb 0.30 -1.38 0.00 0.00 0.27 0.00 0.00 31.44 30.63 2e9k n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2e9k n GLY 24 N 2.27 3.04 3.33 8.31 0.00 -1.26 -5.00 105.19 115.88 2e9k n GLY 24 Ca 0.22 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 2e9k n GLY 24 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2e9k n TYR 25 N 0.00 -1.39 -3.97 1.61 4.02 0.04 -5.00 117.16 112.47 2e9k n TYR 25 Ca 0.00 0.07 -0.31 0.00 -0.01 0.00 0.00 57.90 57.65 2e9k n TYR 25 Cb 0.00 -1.60 -0.05 0.00 -0.02 0.00 0.00 39.34 37.66 2e9k n TYR 25 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 2e9k s GLN 26 N -3.67 3.23 -1.03 -0.72 -0.21 -1.26 -4.41 119.66 111.59 2e9k s GLN 26 Ca 0.59 -0.51 -0.09 0.00 0.02 0.00 0.00 55.36 55.37 2e9k s GLN 26 Cb -0.15 -2.93 0.08 0.00 1.00 0.00 0.00 33.01 31.00 2e9k s GLN 26 CO 0.66 0.61 0.33 0.72 -2.12 0.00 0.00 175.29 175.49 2e9k n HIS 27 N 0.50 -1.68 -3.87 0.91 8.25 -1.26 -4.89 115.22 113.18 2e9k n HIS 27 Ca -0.08 0.34 -0.30 0.00 -0.26 0.00 0.00 57.72 57.42 2e9k n HIS 27 Cb 0.52 -2.18 -0.15 0.00 1.12 0.00 0.00 29.99 29.29 2e9k n HIS 27 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2e9k s VAL 28 N -2.71 1.66 -0.31 1.59 1.01 -1.26 -5.08 120.40 115.30 2e9k s VAL 28 Ca 0.34 -2.09 -0.00 0.00 0.00 0.00 0.00 61.98 60.23 2e9k s VAL 28 Cb -0.19 -2.22 0.06 0.00 0.00 0.00 0.00 36.38 34.04 2e9k s VAL 28 CO 0.42 -0.68 0.00 0.21 0.00 0.00 0.00 175.10 175.05 2e9k s ASN 29 N 1.01 4.81 -0.40 3.32 2.47 -1.26 -4.87 114.94 120.02 2e9k s ASN 29 Ca 0.12 -1.48 -0.15 0.00 0.42 0.00 0.00 52.86 51.77 2e9k s ASN 29 Cb -0.20 -1.68 0.01 0.00 -1.45 0.00 0.00 41.25 37.94 2e9k s ASN 29 CO -0.13 -0.29 0.34 -0.69 -3.72 0.00 0.00 177.10 172.61 2e9k s VAL 30 N 1.17 5.21 0.00 -5.21 1.01 -1.26 -4.85 120.40 116.46 2e9k s VAL 30 Ca -0.03 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2e9k s VAL 30 Cb -0.20 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.25 2e9k s VAL 30 CO -0.03 -0.29 0.00 0.35 0.00 0.00 0.00 175.10 175.13 2e9k n THR 31 N 5.24 0.00 -4.77 3.92 -2.24 -1.26 -4.90 114.28 110.26 2e9k n THR 31 Ca -0.10 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.44 2e9k n THR 31 Cb 0.48 -0.55 -0.15 0.00 -2.10 0.00 0.00 70.33 68.01 2e9k n THR 31 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2e9k s ASP 32 N -3.62 1.94 -0.12 3.42 1.47 -1.26 -5.02 116.67 113.47 2e9k s ASP 32 Ca 0.00 -0.31 -0.00 0.00 1.18 0.00 0.00 52.55 53.42 2e9k s ASP 32 Cb 0.00 -0.21 0.09 0.00 -0.34 0.00 0.00 42.92 42.46 2e9k s ASP 32 CO 0.00 0.20 1.82 0.18 0.68 0.00 0.00 175.17 178.05 2e9k n LEU 33 N 2.64 5.34 0.00 2.11 4.77 -1.26 -2.15 117.00 128.45 2e9k n LEU 33 Ca -0.15 -2.58 0.00 0.00 -0.03 0.00 0.00 56.01 53.26 2e9k n LEU 33 Cb 0.54 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 2e9k n LEU 33 CO 0.24 0.99 -0.13 0.35 -1.33 0.00 0.00 177.39 177.51 2e9k n THR 34 N 0.86 0.00 -0.02 -5.08 -2.24 -1.26 -4.73 114.28 101.80 2e9k n THR 34 Ca 0.12 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.96 2e9k n THR 34 Cb 0.57 -0.57 -0.15 0.00 -2.10 0.00 0.00 70.33 68.08 2e9k n THR 34 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2e9k n THR 35 N -2.36 0.24 0.33 4.28 -2.24 -1.24 -4.04 114.28 109.25 2e9k n THR 35 Ca 0.00 -0.52 0.12 0.00 -2.27 0.00 0.00 64.05 61.38 2e9k n THR 35 Cb 0.13 -0.06 0.53 0.00 -2.10 0.00 0.00 70.33 68.83 2e9k n THR 35 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2e9k n SER 36 N -2.29 0.67 -0.28 3.42 3.41 -0.91 -1.77 113.62 115.87 2e9k n SER 36 Ca -0.09 0.70 0.03 0.00 -0.26 0.00 0.00 58.87 59.25 2e9k n SER 36 Cb 0.63 -0.83 0.05 0.00 -0.26 0.00 0.00 64.21 63.81 2e9k n SER 36 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2e9k n TRP 37 N -2.28 0.13 -0.22 7.33 7.02 -1.26 -4.14 117.44 124.03 2e9k n TRP 37 Ca 0.01 -0.29 -0.09 0.00 -1.02 0.00 0.00 57.50 56.12 2e9k n TRP 37 Cb 0.18 -0.02 0.03 0.00 -2.42 0.00 0.00 31.31 29.08 2e9k n TRP 37 CO 0.00 0.00 0.00 0.07 -2.02 0.00 0.00 177.69 175.74 2e9k h ARG 38 N 1.05 1.03 0.07 -0.99 0.11 -1.49 -3.12 114.38 111.05 2e9k h ARG 38 Ca 0.00 -0.28 -0.29 0.00 0.10 0.00 0.00 59.98 59.51 2e9k h ARG 38 Cb 0.45 -0.12 0.03 0.00 1.11 0.00 0.00 29.97 31.44 2e9k h ARG 38 CO 0.00 0.97 -1.16 1.03 0.10 0.00 0.00 179.97 180.90 2e9k h SER 39 N 0.93 0.90 0.00 0.08 0.87 -1.82 -3.40 113.55 111.11 2e9k h SER 39 Ca 0.18 -0.78 0.00 0.00 -1.23 0.00 0.00 61.79 59.96 2e9k h SER 39 Cb 0.45 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2e9k h SER 39 CO 0.01 1.59 0.00 0.61 -0.53 0.00 0.00 176.83 178.51 2e9k n GLY 40 N 1.25 3.02 0.30 5.77 0.00 -1.18 -3.79 105.19 110.56 2e9k n GLY 40 Ca -0.13 -1.04 0.28 0.00 0.00 0.00 0.00 46.02 45.13 2e9k n GLY 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2e9k n LEU 41 N 0.00 0.27 0.02 0.99 4.77 -1.26 -0.39 117.00 121.39 2e9k n LEU 41 Ca 0.00 1.55 -0.13 0.00 -0.03 0.00 0.00 56.01 57.40 2e9k n LEU 41 Cb 0.00 -0.73 -0.08 0.00 -2.33 0.00 0.00 43.42 40.28 2e9k n LEU 41 CO 0.00 -1.71 0.51 0.00 -1.33 0.00 0.00 177.39 174.85 2e9k h ALA 42 N 1.86 -0.85 -0.11 -1.18 0.00 -1.92 0.32 119.26 117.39 2e9k h ALA 42 Ca 0.76 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.60 2e9k h ALA 42 Cb 1.97 0.91 -0.00 0.00 0.00 0.00 0.00 17.79 20.66 2e9k h ALA 42 CO -0.74 -1.00 0.05 1.25 0.00 0.00 0.00 179.25 178.81 2e9k h LEU 43 N -0.52 0.14 -0.97 0.00 5.85 -1.02 -2.74 115.31 116.04 2e9k h LEU 43 Ca 0.02 -0.13 0.21 0.00 0.84 0.00 0.00 57.88 58.81 2e9k h LEU 43 Cb 0.58 -0.04 -0.11 0.00 0.37 0.00 0.00 40.66 41.46 2e9k h LEU 43 CO -0.33 0.24 0.56 0.00 -0.34 0.00 0.00 178.44 178.57 2e9k h ALA 45 N 1.67 0.38 -0.18 0.00 0.00 -0.06 0.25 119.26 121.33 2e9k h ALA 45 Ca 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.48 2e9k h ALA 45 Cb 1.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2e9k h ALA 45 CO -0.43 -0.16 0.11 0.82 0.00 0.00 0.00 179.25 179.60 2e9k h ILE 46 N 0.40 1.04 0.58 0.00 2.04 -0.90 0.36 117.51 121.04 2e9k h ILE 46 Ca 0.11 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 2e9k h ILE 46 Cb -0.04 0.78 0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2e9k h ILE 46 CO -0.03 0.04 -0.28 0.40 0.00 0.00 0.00 178.15 178.29 2e9k h ILE 47 N 0.23 0.00 -0.84 -0.67 2.04 -1.12 -3.20 117.51 113.96 2e9k h ILE 47 Ca 0.07 -0.21 0.21 0.00 1.00 0.00 0.00 64.86 65.93 2e9k h ILE 47 Cb -0.02 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 35.93 2e9k h ILE 47 CO -0.02 0.00 0.24 -0.74 0.00 0.00 0.00 178.15 177.63 2e9k h HIS 48 N -0.99 0.38 -0.56 1.37 -0.00 -0.53 0.63 115.15 115.45 2e9k h HIS 48 Ca -0.08 0.05 0.05 0.00 -0.00 0.00 0.00 60.37 60.39 2e9k h HIS 48 Cb 0.60 -0.04 -0.07 0.00 -0.00 0.00 0.00 27.41 27.90 2e9k h HIS 48 CO 0.04 -0.14 -0.36 -0.09 -0.00 0.00 0.00 177.93 177.38 2e9k h ARG 49 N 0.27 -0.04 -0.17 5.26 9.65 -0.91 0.61 114.38 129.05 2e9k h ARG 49 Ca 0.51 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 59.33 2e9k h ARG 49 Cb 0.96 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.55 2e9k h ARG 49 CO -0.58 -0.03 -0.15 0.74 2.80 0.00 0.00 179.97 182.75 2e9k h PHE 50 N -0.04 0.48 -3.03 2.20 -1.00 -1.41 -3.39 116.94 110.74 2e9k h PHE 50 Ca 0.09 -0.14 -0.61 0.00 2.81 0.00 0.00 57.97 60.12 2e9k h PHE 50 Cb 0.28 -0.10 -0.40 0.00 3.61 0.00 0.00 35.95 39.33 2e9k h PHE 50 CO -0.94 0.76 -0.72 1.03 -1.61 0.00 0.00 178.31 176.83 2e9k s ARG 51 N -4.37 1.40 0.00 1.51 1.81 0.15 -4.95 118.95 114.50 2e9k s ARG 51 Ca -0.14 -2.12 0.14 0.00 -1.72 0.00 0.00 55.73 51.90 2e9k s ARG 51 Cb 0.06 -2.47 0.67 0.00 -0.45 0.00 0.00 34.95 32.75 2e9k s ARG 51 CO 0.76 -1.16 1.43 -0.35 -0.68 0.00 0.00 175.30 175.30 2e9k n PRO 52 N 3.44 0.09 0.05 3.54 -0.04 0.21 -2.77 135.00 139.52 2e9k n PRO 52 Ca 0.09 0.21 -0.21 0.00 -0.04 0.00 0.00 63.50 63.55 2e9k n PRO 52 Cb 0.34 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.19 2e9k n PRO 52 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2e9k h GLU 53 N 0.00 0.67 -0.28 0.54 4.57 -1.92 -3.31 114.58 114.84 2e9k h GLU 53 Ca 0.00 -0.77 -0.02 0.00 -1.18 0.00 0.00 59.36 57.40 2e9k h GLU 53 Cb 0.20 0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 2e9k h GLU 53 CO 0.00 1.34 0.11 -0.07 -1.18 0.00 0.00 179.01 179.21 2e9k h LEU 54 N 0.33 0.38 -8.39 1.64 3.38 -1.90 -3.43 115.31 107.32 2e9k h LEU 54 Ca -0.15 -0.16 -0.52 0.00 0.09 0.00 0.00 57.88 57.14 2e9k h LEU 54 Cb 1.74 -0.10 -0.27 0.00 0.09 0.00 0.00 40.66 42.13 2e9k h LEU 54 CO 0.21 0.44 -0.82 -0.63 0.09 0.00 0.00 178.44 177.73 2e9k s ILE 55 N -5.56 1.38 -0.48 1.22 1.01 -1.25 -5.05 121.20 112.47 2e9k s ILE 55 Ca -0.13 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.57 2e9k s ILE 55 Cb 0.08 -1.19 0.12 0.00 0.01 0.00 0.00 42.46 41.49 2e9k s ILE 55 CO 0.73 0.20 0.22 0.21 0.00 0.00 0.00 174.94 176.30 2e9k s ASN 56 N -0.90 4.61 0.14 3.58 2.47 -1.26 -4.55 114.94 119.03 2e9k s ASN 56 Ca 0.05 -2.71 -0.29 0.00 0.42 0.00 0.00 52.86 50.33 2e9k s ASN 56 Cb -0.08 -1.68 -0.05 0.00 -1.45 0.00 0.00 41.25 38.00 2e9k s ASN 56 CO 0.01 -0.31 1.57 0.15 -3.72 0.00 0.00 177.10 174.80 2e9k h PHE 57 N 6.95 -1.39 -1.80 0.43 3.57 -1.92 0.29 116.94 123.07 2e9k h PHE 57 Ca -0.06 0.07 0.55 0.00 3.53 0.00 0.00 57.97 62.05 2e9k h PHE 57 Cb 0.94 0.65 -0.10 0.00 2.79 0.00 0.00 35.95 40.24 2e9k h PHE 57 CO 0.53 -0.47 1.26 -0.44 -2.23 0.00 0.00 178.31 176.96 2e9k h ASP 58 N -0.40 0.06 0.17 0.41 5.19 -2.00 1.04 116.42 120.89 2e9k h ASP 58 Ca 0.10 0.05 -0.34 0.00 -0.62 0.00 0.00 57.03 56.22 2e9k h ASP 58 Cb 0.61 0.05 0.01 0.00 0.18 0.00 0.00 39.33 40.17 2e9k h ASP 58 CO -0.54 -0.09 -1.73 0.28 -3.12 0.00 0.00 179.24 174.05 2e9k h SER 59 N 0.00 0.57 -1.57 6.45 0.02 -0.93 -3.45 113.55 114.64 2e9k h SER 59 Ca 0.93 -0.93 -0.65 0.00 -0.84 0.00 0.00 61.79 60.30 2e9k h SER 59 Cb 3.50 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 65.86 2e9k h SER 59 CO -0.16 1.77 1.28 0.18 -1.14 0.00 0.00 176.83 178.76 2e9k n LEU 60 N -3.64 2.75 -4.62 5.07 4.77 0.36 -4.92 117.00 116.77 2e9k n LEU 60 Ca -0.26 0.62 -0.39 0.00 -0.03 0.00 0.00 56.01 55.96 2e9k n LEU 60 Cb 1.05 -1.33 -0.09 0.00 -2.33 0.00 0.00 43.42 40.72 2e9k n LEU 60 CO 0.49 -0.48 0.05 0.21 -1.33 0.00 0.00 177.39 176.33 2e9k s ASN 61 N 6.08 6.27 0.25 -1.43 2.47 -1.26 -4.94 114.94 122.38 2e9k s ASN 61 Ca 1.02 0.32 -0.06 0.00 0.42 0.00 0.00 52.86 54.56 2e9k s ASN 61 Cb -0.75 -2.21 0.47 0.00 -1.45 0.00 0.00 41.25 37.32 2e9k s ASN 61 CO 0.50 -0.15 1.64 1.05 -3.72 0.00 0.00 177.10 176.41 2e9k h GLU 62 N 7.99 0.11 -0.10 0.43 9.09 -1.96 0.90 114.58 131.05 2e9k h GLU 62 Ca -0.33 -0.01 0.03 0.00 0.05 0.00 0.00 59.36 59.10 2e9k h GLU 62 Cb 1.16 -0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 28.23 2e9k h GLU 62 CO 0.66 0.07 0.08 -0.44 0.05 0.00 0.00 179.01 179.43 2e9k h ASP 63 N 0.11 0.00 -0.73 3.06 5.19 -1.99 -2.17 116.42 119.89 2e9k h ASP 63 Ca 0.43 0.00 -0.41 0.00 -0.62 0.00 0.00 57.03 56.43 2e9k h ASP 63 Cb 0.77 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 40.12 2e9k h ASP 63 CO -0.67 0.00 0.44 0.47 -3.12 0.00 0.00 179.24 176.36 2e9k n ASP 64 N -4.20 6.56 -0.19 6.45 8.00 0.31 -4.67 116.55 128.81 2e9k n ASP 64 Ca -0.01 -3.17 -0.03 0.00 0.71 0.00 0.00 54.79 52.30 2e9k n ASP 64 Cb 0.19 -1.12 0.04 0.00 -0.02 0.00 0.00 41.12 40.21 2e9k n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e9k h ALA 65 N 2.09 0.23 -0.63 2.24 0.00 -1.45 0.11 119.26 121.85 2e9k h ALA 65 Ca 0.35 0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.57 2e9k h ALA 65 Cb 0.83 0.56 -0.12 0.00 0.00 0.00 0.00 17.79 19.06 2e9k h ALA 65 CO 0.86 -0.52 -0.36 0.28 0.00 0.00 0.00 179.25 179.52 2e9k h VAL 66 N -0.07 0.14 -0.02 0.00 2.07 -1.83 0.12 116.25 116.65 2e9k h VAL 66 Ca 0.26 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.78 2e9k h VAL 66 Cb 0.48 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2e9k h VAL 66 CO -0.62 0.00 0.00 -0.33 0.02 0.00 0.00 177.57 176.64 2e9k h GLU 67 N -0.16 0.04 -0.57 1.57 4.39 -1.63 -2.11 114.58 116.11 2e9k h GLU 67 Ca 0.23 -0.01 0.11 0.00 0.34 0.00 0.00 59.36 60.03 2e9k h GLU 67 Cb 0.56 -0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.09 2e9k h GLU 67 CO -0.71 0.27 -0.25 -0.91 -1.16 0.00 0.00 179.01 176.26 2e9k h ASN 68 N -0.20 -0.86 0.77 1.42 2.35 0.23 0.23 115.58 119.51 2e9k h ASN 68 Ca 0.01 0.20 -0.04 0.00 -0.55 0.00 0.00 56.30 55.92 2e9k h ASN 68 Cb 0.25 0.47 0.01 0.00 0.05 0.00 0.00 38.32 39.10 2e9k h ASN 68 CO 0.00 -0.26 -0.37 0.78 -1.65 0.00 0.00 177.43 175.93 2e9k h ASN 69 N -0.10 -0.88 -0.96 5.81 2.35 -0.77 -2.72 115.58 118.31 2e9k h ASN 69 Ca 0.26 0.03 0.23 0.00 -0.55 0.00 0.00 56.30 56.26 2e9k h ASN 69 Cb 0.51 0.23 -0.18 0.00 0.05 0.00 0.00 38.32 38.93 2e9k h ASN 69 CO -0.64 -0.61 -0.09 -0.61 -1.65 0.00 0.00 177.43 173.83 2e9k h GLN 70 N -1.07 0.01 0.20 0.81 -0.00 -0.97 -0.44 115.11 113.65 2e9k h GLN 70 Ca -0.11 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.54 2e9k h GLN 70 Cb 0.79 -0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.25 2e9k h GLN 70 CO 0.17 0.01 -0.34 1.25 0.00 0.00 0.00 178.83 179.93 2e9k h LEU 71 N 0.01 -0.97 -0.67 -2.39 5.85 -0.85 0.16 115.31 116.45 2e9k h LEU 71 Ca 0.52 0.09 0.13 0.00 0.84 0.00 0.00 57.88 59.47 2e9k h LEU 71 Cb 0.96 0.34 -0.13 0.00 0.37 0.00 0.00 40.66 42.20 2e9k h LEU 71 CO -0.93 -0.40 -0.19 0.00 -0.34 0.00 0.00 178.44 176.58 2e9k h ALA 72 N -1.05 0.39 -0.13 1.25 0.00 -0.81 0.62 119.26 119.53 2e9k h ALA 72 Ca -0.02 0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.18 2e9k h ALA 72 Cb 0.53 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 2e9k h ALA 72 CO -0.11 -0.45 -0.16 0.74 0.00 0.00 0.00 179.25 179.26 2e9k h PHE 73 N -0.02 -0.42 0.16 0.00 0.04 -0.89 -1.27 116.94 114.54 2e9k h PHE 73 Ca 0.32 0.02 0.01 0.00 2.80 0.00 0.00 57.97 61.12 2e9k h PHE 73 Cb 0.51 0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.83 2e9k h PHE 73 CO -0.56 -0.23 -0.24 0.22 -0.60 0.00 0.00 178.31 176.90 2e9k h ASP 74 N -0.20 -0.66 -0.99 2.17 1.82 0.59 -1.85 116.42 117.30 2e9k h ASP 74 Ca 0.10 0.07 0.22 0.00 -0.39 0.00 0.00 57.03 57.03 2e9k h ASP 74 Cb 0.34 0.24 -0.09 0.00 0.68 0.00 0.00 39.33 40.50 2e9k h ASP 74 CO -0.25 -0.34 0.63 0.58 -1.61 0.00 0.00 179.24 178.25 2e9k h VAL 75 N -0.46 0.63 -0.37 2.25 2.07 -0.65 1.01 116.25 120.72 2e9k h VAL 75 Ca 0.02 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 2e9k h VAL 75 Cb 0.47 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2e9k h VAL 75 CO -0.11 0.10 -0.09 0.00 0.02 0.00 0.00 177.57 177.49 2e9k h ALA 76 N 1.63 1.14 0.00 1.67 0.00 -0.43 0.35 119.26 123.62 2e9k h ALA 76 Ca 0.56 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2e9k h ALA 76 Cb 1.20 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2e9k h ALA 76 CO -0.30 0.54 -0.74 -1.91 0.00 0.00 0.00 179.25 176.85 2e9k n GLU 77 N -4.19 0.13 -0.04 0.00 0.00 0.89 0.14 120.64 117.57 2e9k n GLU 77 Ca 0.01 0.01 -0.14 0.00 0.00 0.00 0.00 57.16 57.04 2e9k n GLU 77 Cb 0.33 -1.56 -0.14 0.00 0.00 0.00 0.00 31.44 30.07 2e9k n GLU 77 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2e9k n ARG 78 N -1.74 0.69 -0.10 5.31 0.63 0.31 -3.39 116.66 118.38 2e9k n ARG 78 Ca 0.04 0.21 -0.17 0.00 -0.92 0.00 0.00 57.85 57.01 2e9k n ARG 78 Cb 0.38 -1.68 -0.06 0.00 0.45 0.00 0.00 32.46 31.56 2e9k n ARG 78 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2e9k n GLU 79 N -3.17 0.50 0.10 -0.14 -0.58 0.12 -4.64 120.64 112.83 2e9k n GLU 79 Ca -0.29 0.21 0.04 0.00 -0.42 0.00 0.00 57.16 56.70 2e9k n GLU 79 Cb 1.06 -1.35 -0.00 0.00 -0.57 0.00 0.00 31.44 30.57 2e9k n GLU 79 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 2e9k h PHE 80 N -0.89 0.00 -0.38 -0.32 0.04 -1.44 -3.48 116.94 110.47 2e9k h PHE 80 Ca -0.30 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.37 2e9k h PHE 80 Cb 1.20 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.32 2e9k h PHE 80 CO -0.24 0.40 -0.10 0.41 -0.60 0.00 0.00 178.31 178.18 2e9k n GLY 81 N 1.27 0.57 3.68 -1.45 0.00 0.38 -4.91 105.19 104.73 2e9k n GLY 81 Ca -0.02 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 2e9k n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2e9k s ILE 82 N -2.20 4.99 0.07 -0.61 1.01 0.44 -4.79 121.20 120.11 2e9k s ILE 82 Ca 0.00 1.35 -0.31 0.00 0.00 0.00 0.00 60.65 61.70 2e9k s ILE 82 Cb 0.00 -4.01 -0.07 0.00 0.01 0.00 0.00 42.46 38.39 2e9k s ILE 82 CO 0.00 0.12 1.39 -2.16 0.00 0.00 0.00 174.94 174.29 2e9k s PRO 83 N 1.73 4.31 0.71 2.79 0.04 -1.26 -3.32 135.00 140.00 2e9k s PRO 83 Ca 0.33 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 63.27 2e9k s PRO 83 Cb -0.16 -3.37 0.02 0.00 0.04 0.00 0.00 34.50 31.03 2e9k s PRO 83 CO 0.12 -0.48 1.10 -1.25 0.04 0.00 0.00 177.00 176.54 2e9k s PRO 84 N 1.56 2.56 -0.21 0.56 0.04 -1.26 -5.00 135.00 133.25 2e9k s PRO 84 Ca 0.64 1.30 0.11 0.00 0.04 0.00 0.00 61.00 63.09 2e9k s PRO 84 Cb -0.35 -1.93 -0.22 0.00 0.04 0.00 0.00 34.50 32.05 2e9k s PRO 84 CO 0.29 -1.42 -0.01 1.33 0.04 0.00 0.00 177.00 177.22 2e9k n VAL 85 N -2.89 1.45 -4.24 -0.36 0.24 -1.26 -5.02 118.33 106.24 2e9k n VAL 85 Ca 0.10 -0.74 -0.13 0.00 -2.04 0.00 0.00 64.34 61.53 2e9k n VAL 85 Cb 0.52 -0.89 -0.10 0.00 -1.47 0.00 0.00 33.84 31.90 2e9k n VAL 85 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2e9k s THR 86 N -2.51 0.41 -0.11 3.34 -1.32 -1.26 -5.16 115.64 109.04 2e9k s THR 86 Ca -0.20 -1.98 -0.04 0.00 -1.21 0.00 0.00 61.69 58.26 2e9k s THR 86 Cb 0.07 -2.33 -0.04 0.00 -1.51 0.00 0.00 72.50 68.70 2e9k s THR 86 CO 0.74 -0.25 0.06 0.42 -2.21 0.00 0.00 174.62 173.39 2e9k s THR 87 N -3.85 4.85 0.24 5.08 -4.23 -1.26 -4.97 115.64 111.50 2e9k s THR 87 Ca 0.31 -0.04 -0.05 0.00 -1.18 0.00 0.00 61.69 60.73 2e9k s THR 87 Cb 0.07 -3.08 0.38 0.00 1.34 0.00 0.00 72.50 71.21 2e9k s THR 87 CO 0.08 0.60 1.33 0.61 -0.54 0.00 0.00 174.62 176.70 2e9k n GLY 88 N 2.19 -1.37 0.46 3.99 0.00 -1.26 -0.16 105.19 109.03 2e9k n GLY 88 Ca -0.19 0.89 -0.17 0.00 0.00 0.00 0.00 46.02 46.55 2e9k n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2e9k h LYS 89 N 0.00 -0.98 -0.68 1.61 1.57 -1.94 0.74 116.57 116.90 2e9k h LYS 89 Ca 0.43 0.07 0.16 0.00 -1.87 0.00 0.00 60.65 59.44 2e9k h LYS 89 Cb 0.71 0.22 -0.04 0.00 0.08 0.00 0.00 32.23 33.20 2e9k h LYS 89 CO -0.86 -0.65 0.47 1.49 -0.57 0.00 0.00 179.45 179.33 2e9k h GLU 90 N -1.01 0.22 0.07 3.15 4.81 -1.25 -1.61 114.58 118.95 2e9k h GLU 90 Ca -0.08 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2e9k h GLU 90 Cb 0.84 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.17 2e9k h GLU 90 CO 0.02 0.15 -0.03 1.98 -0.73 0.00 0.00 179.01 180.40 2e9k h MET 91 N 0.23 -0.08 0.00 1.92 4.05 0.08 -1.91 114.93 119.22 2e9k h MET 91 Ca 0.33 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.76 2e9k h MET 91 Cb 0.98 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.80 2e9k h MET 91 CO -0.07 0.30 0.00 0.00 0.23 0.00 0.00 176.91 177.38 2e9k n ALA 92 N -2.34 1.48 -0.11 0.39 0.00 0.20 -2.54 120.51 117.58 2e9k n ALA 92 Ca -0.08 -0.03 -0.25 0.00 0.00 0.00 0.00 53.44 53.07 2e9k n ALA 92 Cb 0.22 -1.12 -0.11 0.00 0.00 0.00 0.00 19.45 18.44 2e9k n ALA 92 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2e9k n SER 93 N -1.34 1.92 -4.64 0.00 7.64 -0.84 -4.87 113.62 111.49 2e9k n SER 93 Ca 0.03 0.35 -0.43 0.00 1.01 0.00 0.00 58.87 59.84 2e9k n SER 93 Cb 0.06 -0.88 -0.03 0.00 -1.01 0.00 0.00 64.21 62.36 2e9k n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2e9k s ALA 94 N -2.44 3.41 0.25 -0.43 0.00 -0.75 -4.89 121.76 116.92 2e9k s ALA 94 Ca -0.33 0.59 -0.04 0.00 0.00 0.00 0.00 51.96 52.19 2e9k s ALA 94 Cb 0.10 -3.80 0.30 0.00 0.00 0.00 0.00 23.12 19.72 2e9k s ALA 94 CO 0.56 -1.71 1.78 -0.56 0.00 0.00 0.00 175.76 175.83 2e9k h GLN 95 N 10.11 0.92 -3.23 0.00 -0.00 -1.89 -3.40 115.11 117.62 2e9k h GLN 95 Ca -0.34 -0.21 -0.52 0.00 -0.00 0.00 0.00 58.65 57.57 2e9k h GLN 95 Cb 1.15 -0.13 -0.40 0.00 -0.00 0.00 0.00 27.48 28.10 2e9k h GLN 95 CO 0.98 0.84 -0.76 -2.00 -0.00 0.00 0.00 178.83 177.89 2e9k s GLU 96 N -5.20 0.42 1.16 0.06 2.12 -1.26 -4.83 118.70 111.16 2e9k s GLU 96 Ca -0.10 -0.53 -0.18 0.00 0.36 0.00 0.00 54.97 54.52 2e9k s GLU 96 Cb 0.15 -1.76 0.27 0.00 0.26 0.00 0.00 34.13 33.05 2e9k s GLU 96 CO 0.82 -0.83 1.11 -1.25 -0.54 0.00 0.00 175.26 174.56 2e9k s PRO 97 N 1.93 -0.86 -0.61 4.30 0.04 -1.26 -4.94 135.00 133.61 2e9k s PRO 97 Ca 0.05 0.06 -0.28 0.00 0.04 0.00 0.00 61.00 60.87 2e9k s PRO 97 Cb -0.17 -1.63 0.02 0.00 0.04 0.00 0.00 34.50 32.77 2e9k s PRO 97 CO -0.20 -3.50 1.30 0.34 0.04 0.00 0.00 177.00 174.98 2e9k s ASP 98 N -3.79 6.26 0.26 6.66 -1.08 -1.26 -4.87 116.67 118.84 2e9k s ASP 98 Ca 0.70 0.05 0.12 0.00 -0.52 0.00 0.00 52.55 52.90 2e9k s ASP 98 Cb -0.12 -2.55 0.86 0.00 -1.46 0.00 0.00 42.92 39.65 2e9k s ASP 98 CO 0.56 -1.65 1.13 0.29 0.52 0.00 0.00 175.17 176.02 2e9k n LYS 99 N 8.73 -0.05 0.14 4.34 5.02 -1.26 -0.38 118.16 134.70 2e9k n LYS 99 Ca 0.09 1.01 -0.06 0.00 -2.02 0.00 0.00 58.31 57.34 2e9k n LYS 99 Cb 0.49 -1.76 -0.03 0.00 -0.02 0.00 0.00 35.03 33.71 2e9k n LYS 99 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2e9k h LEU 100 N 0.00 -0.31 -0.85 -0.35 5.85 -1.95 -2.40 115.31 115.30 2e9k h LEU 100 Ca 0.57 0.01 0.25 0.00 0.84 0.00 0.00 57.88 59.55 2e9k h LEU 100 Cb 1.44 0.08 -0.16 0.00 0.37 0.00 0.00 40.66 42.39 2e9k h LEU 100 CO -0.58 -0.15 0.09 -0.24 -0.34 0.00 0.00 178.44 177.22 2e9k n SER 101 N -3.42 -0.03 0.32 1.25 2.88 0.49 0.30 113.62 115.40 2e9k n SER 101 Ca -0.05 1.44 -0.16 0.00 -1.33 0.00 0.00 58.87 58.76 2e9k n SER 101 Cb 0.15 -0.55 -0.08 0.00 -0.75 0.00 0.00 64.21 62.97 2e9k n SER 101 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 2e9k h MET 102 N 0.00 -0.76 0.34 -1.46 2.86 -1.33 -2.78 114.93 111.80 2e9k h MET 102 Ca 0.55 0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 58.23 2e9k h MET 102 Cb 1.21 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 33.02 2e9k h MET 102 CO -0.77 -0.47 -0.37 0.28 1.06 0.00 0.00 176.91 176.64 2e9k h VAL 103 N -0.89 0.00 -1.50 -2.22 2.07 0.38 -0.09 116.25 114.00 2e9k h VAL 103 Ca -0.08 0.00 0.44 0.00 0.82 0.00 0.00 66.70 67.88 2e9k h VAL 103 Cb 0.64 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 2e9k h VAL 103 CO 0.13 0.00 1.26 0.00 0.02 0.00 0.00 177.57 178.98 2e9k h MET 104 N -0.72 0.00 0.00 1.57 -0.00 -0.94 0.22 114.93 115.07 2e9k h MET 104 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.64 2e9k h MET 104 Cb 0.63 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.22 2e9k h MET 104 CO -0.06 0.00 -0.15 -0.92 -0.00 0.00 0.00 176.91 175.78 2e9k h TYR 105 N 0.00 0.00 -0.72 -0.10 3.20 -0.93 -3.37 116.97 115.05 2e9k h TYR 105 Ca 0.71 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.70 2e9k h TYR 105 Cb 3.22 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 41.41 2e9k h TYR 105 CO 0.00 0.36 0.31 -0.07 -1.64 0.00 0.00 178.16 177.12 2e9k h LEU 106 N -1.00 0.34 -0.99 2.82 3.38 0.11 -2.02 115.31 117.95 2e9k h LEU 106 Ca -0.02 0.09 0.19 0.00 0.09 0.00 0.00 57.88 58.23 2e9k h LEU 106 Cb 0.41 0.04 -0.19 0.00 0.09 0.00 0.00 40.66 41.02 2e9k h LEU 106 CO -0.01 0.17 -0.26 -1.20 0.09 0.00 0.00 178.44 177.23 2e9k n SER 107 N -4.95 -0.38 -0.21 -0.43 7.64 0.35 0.74 113.62 116.38 2e9k n SER 107 Ca 0.12 1.71 0.01 0.00 1.01 0.00 0.00 58.87 61.73 2e9k n SER 107 Cb 0.35 -0.51 0.11 0.00 -1.01 0.00 0.00 64.21 63.15 2e9k n SER 107 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2e9k h LYS 108 N 0.00 0.19 0.37 1.43 1.57 -1.52 -0.90 116.57 117.71 2e9k h LYS 108 Ca 0.47 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.22 2e9k h LYS 108 Cb 0.71 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2e9k h LYS 108 CO -1.02 0.13 -0.18 0.74 -0.57 0.00 0.00 179.45 178.55 2e9k h PHE 109 N 0.20 -0.46 -0.86 -1.35 0.04 0.23 0.68 116.94 115.42 2e9k h PHE 109 Ca 0.33 -0.01 0.12 0.00 2.80 0.00 0.00 57.97 61.21 2e9k h PHE 109 Cb 0.52 0.15 -0.13 0.00 2.20 0.00 0.00 35.95 38.69 2e9k h PHE 109 CO -0.30 -0.12 -0.44 -0.92 -0.60 0.00 0.00 178.31 175.93 2e9k h TYR 110 N -0.92 -1.31 -0.19 -0.55 3.20 -0.48 0.13 116.97 116.85 2e9k h TYR 110 Ca -0.05 0.10 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 2e9k h TYR 110 Cb 0.54 0.69 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 2e9k h TYR 110 CO 0.03 -0.40 -0.07 0.93 -1.64 0.00 0.00 178.16 177.00 2e9k h GLU 111 N -0.07 0.39 -0.53 1.82 5.08 -1.24 0.70 114.58 120.73 2e9k h GLU 111 Ca 0.25 -0.16 0.09 0.00 -1.00 0.00 0.00 59.36 58.54 2e9k h GLU 111 Cb 0.55 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.68 2e9k h GLU 111 CO -0.88 0.67 -0.39 1.25 -1.00 0.00 0.00 179.01 178.66 2e9k h LEU 112 N 0.09 -1.34 0.00 1.33 5.85 0.97 -2.96 115.31 119.26 2e9k h LEU 112 Ca 0.05 0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 2e9k h LEU 112 Cb 0.54 0.62 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 2e9k h LEU 112 CO 0.02 -0.33 -0.05 -0.26 -0.34 0.00 0.00 178.44 177.48 2e9k h PHE 113 N -0.23 0.00 -3.37 1.25 0.04 -0.86 -3.44 116.94 110.33 2e9k h PHE 113 Ca 0.19 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 60.36 2e9k h PHE 113 Cb 0.56 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.62 2e9k h PHE 113 CO -0.65 0.99 0.45 0.50 -0.60 0.00 0.00 178.31 179.00 2e9k s ARG 114 N -2.21 4.05 -1.20 1.51 3.00 0.24 -4.97 118.95 119.38 2e9k s ARG 114 Ca -0.19 0.75 -0.07 0.00 -1.00 0.00 0.00 55.73 55.22 2e9k s ARG 114 Cb -0.03 -3.70 0.23 0.00 0.00 0.00 0.00 34.95 31.45 2e9k s ARG 114 CO 0.67 -0.63 1.77 0.41 0.00 0.00 0.00 175.30 177.51 2e9k n GLY 115 N 4.02 5.04 3.48 8.12 0.00 -1.25 -3.96 105.19 120.62 2e9k n GLY 115 Ca 0.05 -2.34 -0.49 0.00 0.00 0.00 0.00 46.02 43.25 2e9k n GLY 115 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2e9k n THR 116 N 2.26 1.60 -0.79 2.61 -1.04 -1.26 -4.95 114.28 112.71 2e9k n THR 116 Ca 0.37 -0.40 -0.16 0.00 -2.04 0.00 0.00 64.05 61.81 2e9k n THR 116 Cb 0.34 -0.34 0.14 0.00 -1.82 0.00 0.00 70.33 68.64 2e9k n THR 116 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2e9k n PRO 117 N 1.11 -2.18 -1.59 -2.82 -0.04 -1.26 -4.84 135.00 123.37 2e9k n PRO 117 Ca 0.16 -0.95 -0.62 0.00 -0.04 0.00 0.00 63.50 62.05 2e9k n PRO 117 Cb 0.24 -0.89 -0.09 0.00 -0.04 0.00 0.00 33.50 32.73 2e9k n PRO 117 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2e9k n LEU 118 N 0.00 0.65 -3.98 1.53 4.32 -1.26 -4.91 117.00 113.36 2e9k n LEU 118 Ca 0.08 1.14 -0.30 0.00 -0.02 0.00 0.00 56.01 56.91 2e9k n LEU 118 Cb 0.32 -0.87 -0.14 0.00 -1.62 0.00 0.00 43.42 41.10 2e9k n LEU 118 CO 0.22 -1.27 -0.24 -0.60 -1.22 0.00 0.00 177.39 174.28 2e9k s ARG 119 N 1.63 1.78 -0.97 3.23 3.52 -1.26 -5.05 118.95 121.83 2e9k s ARG 119 Ca 0.96 -2.32 -0.24 0.00 -0.13 0.00 0.00 55.73 54.00 2e9k s ARG 119 Cb -1.36 -3.28 -0.06 0.00 -1.56 0.00 0.00 34.95 28.69 2e9k s ARG 119 CO 0.69 -1.04 1.95 -1.25 -0.81 0.00 0.00 175.30 174.84 2e9k s PRO 120 N 0.20 2.53 0.00 5.12 0.04 -1.26 -5.28 135.00 136.35 2e9k s PRO 120 Ca 0.15 -0.51 0.13 0.00 0.04 0.00 0.00 61.00 60.81 2e9k s PRO 120 Cb -0.23 -5.11 0.79 0.00 0.04 0.00 0.00 34.50 30.00 2e9k s PRO 120 CO -0.03 -3.54 1.22 0.28 0.04 0.00 0.00 177.00 174.97