#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 6.35 0.11 1.61 0.01 -1.26 -4.96 113.70 115.56 2e9k s SER 2 Ca 0.00 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.16 2e9k s SER 2 Cb 0.00 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 2e9k s SER 2 CO 0.00 -1.56 -0.00 -0.94 0.41 0.00 0.00 173.24 171.14 2e9k s SER 3 N 4.18 0.73 1.72 2.44 1.04 -1.26 -5.07 113.70 117.49 2e9k s SER 3 Ca 0.37 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.69 2e9k s SER 3 Cb -0.06 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.25 2e9k s SER 3 CO 0.02 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.24 2e9k n GLY 4 N -0.07 3.49 2.71 7.32 0.00 -1.26 -4.90 105.19 112.48 2e9k n GLY 4 Ca -0.09 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 2e9k n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2e9k n SER 5 N 8.03 -3.80 -0.09 1.61 2.88 -1.26 -4.96 113.62 116.04 2e9k n SER 5 Ca 0.00 -0.35 -0.17 0.00 -1.33 0.00 0.00 58.87 57.01 2e9k n SER 5 Cb 0.00 -3.35 -0.07 0.00 -0.75 0.00 0.00 64.21 60.04 2e9k n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2e9k n SER 6 N -1.67 1.72 -4.98 -3.46 7.64 -1.26 -5.04 113.62 106.57 2e9k n SER 6 Ca -0.06 0.13 -0.20 0.00 1.01 0.00 0.00 58.87 59.74 2e9k n SER 6 Cb 0.56 -0.46 0.03 0.00 -1.01 0.00 0.00 64.21 63.33 2e9k n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2e9k s GLY 7 N -5.44 1.82 0.17 0.23 0.00 -1.26 -5.04 107.32 97.79 2e9k s GLY 7 Ca -0.25 -1.36 -0.31 0.00 0.00 0.00 0.00 44.72 42.79 2e9k s GLY 7 CO 0.35 -1.11 1.51 0.99 0.00 0.00 0.00 173.10 174.83 2e9k s ASP 8 N -4.39 6.65 0.29 1.64 1.11 -1.26 -4.99 116.67 115.72 2e9k s ASP 8 Ca 0.56 2.56 -0.18 0.00 0.18 0.00 0.00 52.55 55.67 2e9k s ASP 8 Cb -0.10 -2.60 -0.09 0.00 1.07 0.00 0.00 42.92 41.20 2e9k s ASP 8 CO 0.37 -0.77 0.76 -0.63 1.18 0.00 0.00 175.17 176.09 2e9k s ILE 9 N 0.96 4.58 0.10 0.77 1.01 -1.26 -4.89 121.20 122.47 2e9k s ILE 9 Ca 0.67 1.18 -0.20 0.00 0.00 0.00 0.00 60.65 62.31 2e9k s ILE 9 Cb -0.42 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 2e9k s ILE 9 CO 0.33 -0.02 1.00 0.54 0.00 0.00 0.00 174.94 176.78 2e9k n ARG 10 N 0.09 -0.28 0.02 2.79 5.12 -1.26 -0.92 116.66 122.22 2e9k n ARG 10 Ca 0.01 0.98 -0.13 0.00 -1.93 0.00 0.00 57.85 56.79 2e9k n ARG 10 Cb 0.52 -1.44 -0.09 0.00 -1.16 0.00 0.00 32.46 30.29 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 -0.09 -1.25 5.56 0.13 -2.01 -3.19 132.00 131.16 2e9k h PRO 11 Ca 0.10 0.01 0.44 0.00 -0.87 0.00 0.00 66.00 65.68 2e9k h PRO 11 Cb 0.26 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 31.28 2e9k h PRO 11 CO -0.60 0.37 0.79 0.43 -0.23 0.00 0.00 178.00 178.75 2e9k n SER 12 N -4.90 0.21 -0.04 1.44 7.64 -0.10 0.15 113.62 118.02 2e9k n SER 12 Ca -0.08 1.32 -0.12 0.00 1.01 0.00 0.00 58.87 60.99 2e9k n SER 12 Cb 0.25 -0.65 -0.07 0.00 -1.01 0.00 0.00 64.21 62.73 2e9k n SER 12 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2e9k h LYS 13 N 0.00 0.21 -0.40 1.43 1.63 -1.18 -3.12 116.57 115.14 2e9k h LYS 13 Ca 0.82 -0.09 0.07 0.00 -0.85 0.00 0.00 60.65 60.60 2e9k h LYS 13 Cb 2.58 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 34.14 2e9k h LYS 13 CO -0.46 0.55 -0.01 1.25 -3.45 0.00 0.00 179.45 177.32 2e9k h LEU 14 N -0.13 -0.19 -0.54 5.20 5.85 0.13 -2.03 115.31 123.60 2e9k h LEU 14 Ca 0.03 0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.95 2e9k h LEU 14 Cb 0.48 0.18 -0.10 0.00 0.37 0.00 0.00 40.66 41.58 2e9k h LEU 14 CO 0.01 -0.06 -0.15 0.25 -0.34 0.00 0.00 178.44 178.15 2e9k h LEU 15 N 0.09 -0.55 0.01 2.25 5.85 -1.41 -1.97 115.31 119.58 2e9k h LEU 15 Ca 0.20 0.17 0.02 0.00 0.84 0.00 0.00 57.88 59.10 2e9k h LEU 15 Cb 0.28 0.35 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 2e9k h LEU 15 CO -0.34 -0.19 -0.46 0.74 -0.34 0.00 0.00 178.44 177.84 2e9k h THR 16 N -0.02 0.00 -0.75 1.05 2.02 -1.31 0.40 112.91 114.31 2e9k h THR 16 Ca 0.26 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.60 2e9k h THR 16 Cb 0.41 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.69 2e9k h THR 16 CO -0.56 0.00 -0.09 -0.25 0.37 0.00 0.00 175.52 174.99 2e9k h TRP 17 N -0.59 -0.22 -0.66 3.16 7.01 -1.22 0.34 115.95 123.77 2e9k h TRP 17 Ca 0.01 0.06 -0.06 0.00 2.11 0.00 0.00 58.89 61.01 2e9k h TRP 17 Cb 0.63 0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 27.87 2e9k h TRP 17 CO -0.49 -0.28 0.17 0.00 -2.79 0.00 0.00 178.44 175.05 2e9k h GLN 19 N 0.98 0.85 0.70 0.00 4.20 0.35 -1.70 115.11 120.48 2e9k h GLN 19 Ca 0.21 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 2e9k h GLN 19 Cb 0.33 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 27.96 2e9k h GLN 19 CO -0.00 0.67 -0.33 1.96 -0.67 0.00 0.00 178.83 180.46 2e9k h GLN 20 N 0.81 -0.90 -0.50 1.46 1.08 -0.67 0.50 115.11 116.89 2e9k h GLN 20 Ca 0.21 0.06 0.10 0.00 -1.45 0.00 0.00 58.65 57.57 2e9k h GLN 20 Cb 0.09 0.20 -0.10 0.00 -0.05 0.00 0.00 27.48 27.63 2e9k h GLN 20 CO -0.03 -0.57 -0.15 1.96 -0.95 0.00 0.00 178.83 179.09 2e9k h GLN 21 N -1.06 -0.03 -0.42 1.46 1.08 -1.39 -0.73 115.11 114.03 2e9k h GLN 21 Ca -0.10 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 56.99 2e9k h GLN 21 Cb 0.74 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.17 2e9k h GLN 21 CO 0.16 -0.02 -0.20 1.79 -0.95 0.00 0.00 178.83 179.61 2e9k h THR 22 N -0.03 1.27 -0.86 -0.54 1.35 -1.27 -3.45 112.91 109.37 2e9k h THR 22 Ca 0.24 -1.31 -0.64 0.00 -0.55 0.00 0.00 66.41 64.15 2e9k h THR 22 Cb 0.40 1.16 0.06 0.00 -1.73 0.00 0.00 68.15 68.04 2e9k h THR 22 CO -0.53 0.44 -0.14 1.21 -0.25 0.00 0.00 175.52 176.25 2e9k n GLU 23 N -4.12 0.00 0.00 4.72 2.13 0.17 -1.53 120.64 122.01 2e9k n GLU 23 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2e9k n GLU 23 Cb 0.42 -1.14 0.00 0.00 0.27 0.00 0.00 31.44 31.00 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 1.46 3.10 3.39 8.31 0.00 -1.26 -4.99 105.19 115.19 2e9k n GLY 24 Ca 0.17 -0.94 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.19 -3.87 1.61 4.02 -0.58 -5.00 117.16 112.14 2e9k n TYR 25 Ca 0.00 0.10 -0.26 0.00 -0.01 0.00 0.00 57.90 57.72 2e9k n TYR 25 Cb 0.00 -1.68 -0.03 0.00 -0.02 0.00 0.00 39.34 37.61 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 -3.85 3.46 -0.29 -0.72 1.11 -1.26 -4.33 119.66 113.79 2e9k s GLN 26 Ca 0.61 -0.53 0.00 0.00 0.01 0.00 0.00 55.36 55.45 2e9k s GLN 26 Cb -0.18 -2.93 0.00 0.00 -1.01 0.00 0.00 33.01 28.89 2e9k s GLN 26 CO 0.65 0.48 0.00 0.72 0.01 0.00 0.00 175.29 177.16 2e9k n HIS 27 N -0.60 -1.73 -3.88 0.91 8.25 -1.26 -4.86 115.22 112.06 2e9k n HIS 27 Ca -0.06 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.09 2e9k n HIS 27 Cb 0.54 -1.46 -0.15 0.00 1.12 0.00 0.00 29.99 30.05 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 -2.06 1.75 -0.38 1.59 1.01 -1.26 -5.06 120.40 115.98 2e9k s VAL 28 Ca 0.00 -2.20 0.01 0.00 0.00 0.00 0.00 61.98 59.79 2e9k s VAL 28 Cb 0.00 -2.28 0.11 0.00 0.00 0.00 0.00 36.38 34.21 2e9k s VAL 28 CO 0.00 -0.69 0.12 0.21 0.00 0.00 0.00 175.10 174.74 2e9k s ASN 29 N 0.90 4.93 -0.40 3.32 2.47 -1.26 -4.82 114.94 120.08 2e9k s ASN 29 Ca 0.12 -2.17 -0.22 0.00 0.42 0.00 0.00 52.86 51.01 2e9k s ASN 29 Cb -0.20 -1.70 0.01 0.00 -1.45 0.00 0.00 41.25 37.91 2e9k s ASN 29 CO -0.11 -0.43 0.72 -0.69 -3.72 0.00 0.00 177.10 172.87 2e9k s VAL 30 N 0.91 4.76 0.00 -5.21 1.01 -1.26 -4.83 120.40 115.78 2e9k s VAL 30 Ca 0.10 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.63 2e9k s VAL 30 Cb -0.21 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 31.97 2e9k s VAL 30 CO -0.06 -0.51 0.00 0.35 0.00 0.00 0.00 175.10 174.87 2e9k n THR 31 N 5.85 0.00 -4.59 3.92 -2.24 -1.26 -4.86 114.28 111.10 2e9k n THR 31 Ca 0.01 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.52 2e9k n THR 31 Cb 0.48 -0.60 -0.06 0.00 -2.10 0.00 0.00 70.33 68.05 2e9k n THR 31 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2e9k n ASP 32 N -2.32 2.46 -0.77 3.42 8.00 -1.26 -5.06 116.55 121.02 2e9k n ASP 32 Ca 0.00 -2.99 0.03 0.00 0.71 0.00 0.00 54.79 52.54 2e9k n ASP 32 Cb 0.48 0.56 0.19 0.00 -0.02 0.00 0.00 41.12 42.33 2e9k n ASP 32 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2e9k n LEU 33 N 0.00 2.99 0.00 0.64 4.77 -1.26 -4.24 117.00 119.90 2e9k n LEU 33 Ca -0.14 -3.99 0.00 0.00 -0.03 0.00 0.00 56.01 51.85 2e9k n LEU 33 Cb 0.57 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2e9k n LEU 33 CO 0.30 1.47 -0.18 0.35 -1.33 0.00 0.00 177.39 178.00 2e9k n THR 34 N -1.08 0.00 -0.08 -5.08 -2.24 -1.26 -4.76 114.28 99.78 2e9k n THR 34 Ca 0.22 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.81 2e9k n THR 34 Cb 0.73 -0.52 -0.13 0.00 -2.10 0.00 0.00 70.33 68.31 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 -2.27 1.59 -0.09 4.28 -2.24 -1.26 -3.89 114.28 110.40 2e9k n THR 35 Ca 0.00 -0.59 0.17 0.00 -2.27 0.00 0.00 64.05 61.36 2e9k n THR 35 Cb 0.18 -1.54 0.58 0.00 -2.10 0.00 0.00 70.33 67.45 2e9k n THR 35 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2e9k h SER 36 N -0.01 0.22 -0.67 3.42 0.02 -1.90 -0.00 113.55 114.63 2e9k h SER 36 Ca -0.53 0.01 -0.43 0.00 -0.84 0.00 0.00 61.79 60.01 2e9k h SER 36 Cb 1.93 -0.03 -0.25 0.00 0.14 0.00 0.00 62.40 64.18 2e9k h SER 36 CO -0.04 0.12 0.03 0.79 -1.14 0.00 0.00 176.83 176.59 2e9k n TRP 37 N -4.43 2.21 0.04 3.45 7.02 -1.26 -4.09 117.44 120.38 2e9k n TRP 37 Ca 0.12 -2.13 -0.17 0.00 -1.02 0.00 0.00 57.50 54.30 2e9k n TRP 37 Cb 0.55 -0.73 -0.14 0.00 -2.42 0.00 0.00 31.31 28.57 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 1.53 0.24 0.12 -0.99 0.11 -1.10 -3.38 114.38 110.92 2e9k h ARG 38 Ca 0.39 -0.41 -0.36 0.00 0.10 0.00 0.00 59.98 59.70 2e9k h ARG 38 Cb 1.55 0.15 -0.02 0.00 1.11 0.00 0.00 29.97 32.77 2e9k h ARG 38 CO 0.84 1.09 -1.94 1.03 0.10 0.00 0.00 179.97 181.08 2e9k h SER 39 N 0.07 0.40 0.00 0.08 0.87 -1.81 -3.14 113.55 110.02 2e9k h SER 39 Ca -0.29 -0.87 0.00 0.00 -1.23 0.00 0.00 61.79 59.40 2e9k h SER 39 Cb 2.03 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.86 2e9k h SER 39 CO 0.14 1.78 0.00 0.61 -0.53 0.00 0.00 176.83 178.83 2e9k n GLY 40 N 1.94 2.57 0.29 5.77 0.00 -1.26 -2.19 105.19 112.32 2e9k n GLY 40 Ca -0.30 -0.71 -0.03 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.57 -0.39 0.99 4.77 -1.26 0.21 117.00 120.74 2e9k n LEU 41 Ca 0.00 1.28 -0.07 0.00 -0.03 0.00 0.00 56.01 57.20 2e9k n LEU 41 Cb 0.00 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 40.80 2e9k n LEU 41 CO 0.00 -1.12 0.50 0.00 -1.33 0.00 0.00 177.39 175.44 2e9k n ALA 42 N -3.56 -0.41 0.47 -1.18 0.00 -1.26 -0.25 120.51 114.32 2e9k n ALA 42 Ca 0.05 0.87 -0.19 0.00 0.00 0.00 0.00 53.44 54.18 2e9k n ALA 42 Cb 0.26 -0.25 -0.09 0.00 0.00 0.00 0.00 19.45 19.37 2e9k n ALA 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2e9k h LEU 43 N 0.00 -1.02 -1.04 0.00 5.85 -0.56 -2.88 115.31 115.67 2e9k h LEU 43 Ca 0.23 0.03 0.41 0.00 0.84 0.00 0.00 57.88 59.39 2e9k h LEU 43 Cb 0.47 0.26 -0.17 0.00 0.37 0.00 0.00 40.66 41.59 2e9k h LEU 43 CO -0.92 -0.67 0.58 0.00 -0.34 0.00 0.00 178.44 177.08 2e9k h ALA 45 N 1.94 0.14 0.24 0.00 0.00 -0.40 0.27 119.26 121.45 2e9k h ALA 45 Ca 0.83 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.83 2e9k h ALA 45 Cb 2.21 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 20.12 2e9k h ALA 45 CO -0.72 -0.47 -0.34 0.82 0.00 0.00 0.00 179.25 178.54 2e9k h ILE 46 N 0.00 0.30 0.42 0.00 2.04 0.14 0.44 117.51 120.85 2e9k h ILE 46 Ca 0.10 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 2e9k h ILE 46 Cb 0.15 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 2e9k h ILE 46 CO -0.20 0.00 -0.20 0.40 0.00 0.00 0.00 178.15 178.14 2e9k h ILE 47 N -0.64 0.00 -0.98 -0.67 2.04 -1.30 -2.95 117.51 113.01 2e9k h ILE 47 Ca 0.00 -0.01 0.34 0.00 1.00 0.00 0.00 64.86 66.19 2e9k h ILE 47 Cb 0.62 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.53 2e9k h ILE 47 CO -0.12 0.00 0.36 -0.74 0.00 0.00 0.00 178.15 177.65 2e9k h HIS 48 N -0.57 0.53 -0.05 1.37 2.76 -0.50 0.16 115.15 118.85 2e9k h HIS 48 Ca -0.06 0.05 0.02 0.00 -2.20 0.00 0.00 60.37 58.18 2e9k h HIS 48 Cb 0.43 -0.07 -0.04 0.00 1.55 0.00 0.00 27.41 29.28 2e9k h HIS 48 CO 0.13 -0.39 -0.40 -0.09 -1.30 0.00 0.00 177.93 175.89 2e9k h ARG 49 N 0.08 -0.45 0.26 5.26 9.65 -0.73 0.18 114.38 128.63 2e9k h ARG 49 Ca 0.72 0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.62 2e9k h ARG 49 Cb 1.72 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 30.41 2e9k h ARG 49 CO -0.77 -0.30 -0.12 0.74 2.80 0.00 0.00 179.97 182.31 2e9k h PHE 50 N -0.46 -0.32 -3.31 2.20 0.04 -0.93 -3.39 116.94 110.77 2e9k h PHE 50 Ca 0.02 -0.01 -0.63 0.00 2.80 0.00 0.00 57.97 60.14 2e9k h PHE 50 Cb 0.52 0.11 -0.41 0.00 2.20 0.00 0.00 35.95 38.36 2e9k h PHE 50 CO -0.51 -0.00 -0.64 1.03 -0.60 0.00 0.00 178.31 177.58 2e9k s ARG 51 N -4.81 1.90 0.47 1.51 1.81 0.36 -4.93 118.95 115.26 2e9k s ARG 51 Ca -0.14 -2.57 0.31 0.00 -1.72 0.00 0.00 55.73 51.61 2e9k s ARG 51 Cb 0.02 -3.18 1.30 0.00 -0.45 0.00 0.00 34.95 32.65 2e9k s ARG 51 CO 0.57 -1.13 1.92 -1.00 -0.68 0.00 0.00 175.30 174.99 2e9k h PRO 52 N 6.47 0.00 0.00 3.54 0.13 -0.84 -2.80 132.00 138.50 2e9k h PRO 52 Ca -0.06 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.97 2e9k h PRO 52 Cb 0.89 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 2e9k h PRO 52 CO 0.66 0.00 -0.46 1.05 -0.23 0.00 0.00 178.00 179.02 2e9k h GLU 53 N 0.00 0.00 0.27 0.86 9.09 -1.92 -3.29 114.58 119.59 2e9k h GLU 53 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 2e9k h GLU 53 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.55 2e9k h GLU 53 CO 0.00 0.46 -0.13 -0.07 0.05 0.00 0.00 179.01 179.32 2e9k h LEU 54 N 0.00 -0.31 -9.10 3.06 3.38 -1.87 -3.45 115.31 107.02 2e9k h LEU 54 Ca -0.00 -0.03 -0.68 0.00 0.09 0.00 0.00 57.88 57.25 2e9k h LEU 54 Cb 0.87 0.08 -0.19 0.00 0.09 0.00 0.00 40.66 41.51 2e9k h LEU 54 CO 0.06 0.16 -0.70 -0.63 0.09 0.00 0.00 178.44 177.42 2e9k s ILE 55 N -2.84 3.63 -0.64 1.22 1.01 -1.24 -5.06 121.20 117.28 2e9k s ILE 55 Ca -0.06 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.04 2e9k s ILE 55 Cb 0.01 -2.49 0.16 0.00 0.01 0.00 0.00 42.46 40.15 2e9k s ILE 55 CO 0.20 0.57 0.44 0.21 0.00 0.00 0.00 174.94 176.36 2e9k s ASN 56 N -0.90 5.01 0.29 3.58 2.47 -1.26 -4.59 114.94 119.53 2e9k s ASN 56 Ca 0.13 -3.15 0.02 0.00 0.42 0.00 0.00 52.86 50.28 2e9k s ASN 56 Cb -0.11 -1.77 0.60 0.00 -1.45 0.00 0.00 41.25 38.52 2e9k s ASN 56 CO 0.02 -0.27 1.81 0.15 -3.72 0.00 0.00 177.10 175.10 2e9k h PHE 57 N 6.52 1.09 -0.99 0.43 3.57 -1.90 -1.45 116.94 124.20 2e9k h PHE 57 Ca 0.01 0.03 0.35 0.00 3.53 0.00 0.00 57.97 61.90 2e9k h PHE 57 Cb 0.89 -0.34 -0.18 0.00 2.79 0.00 0.00 35.95 39.11 2e9k h PHE 57 CO 0.66 0.37 0.34 -0.44 -2.23 0.00 0.00 178.31 177.00 2e9k h ASP 58 N 0.90 0.01 0.07 0.41 3.32 -2.00 0.13 116.42 119.26 2e9k h ASP 58 Ca 0.52 0.26 -0.09 0.00 0.02 0.00 0.00 57.03 57.74 2e9k h ASP 58 Cb 0.61 0.35 0.01 0.00 0.22 0.00 0.00 39.33 40.52 2e9k h ASP 58 CO -0.30 -0.39 -0.41 -1.28 -1.72 0.00 0.00 179.24 175.14 2e9k h SER 59 N 0.02 0.22 -1.37 6.45 0.87 -1.71 -3.44 113.55 114.60 2e9k h SER 59 Ca 0.74 -0.97 -0.67 0.00 -1.23 0.00 0.00 61.79 59.66 2e9k h SER 59 Cb 1.81 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.69 2e9k h SER 59 CO -0.82 1.20 1.28 0.18 -0.53 0.00 0.00 176.83 178.13 2e9k n LEU 60 N -4.37 2.45 -4.52 2.23 4.77 0.46 -4.94 117.00 113.08 2e9k n LEU 60 Ca -0.12 0.62 -0.31 0.00 -0.03 0.00 0.00 56.01 56.16 2e9k n LEU 60 Cb 0.65 -1.27 -0.12 0.00 -2.33 0.00 0.00 43.42 40.35 2e9k n LEU 60 CO 0.41 -0.56 -0.44 0.21 -1.33 0.00 0.00 177.39 175.68 2e9k s ASN 61 N 6.14 4.19 0.20 -1.43 2.47 -1.26 -4.90 114.94 120.34 2e9k s ASN 61 Ca 1.04 -0.29 -0.22 0.00 0.42 0.00 0.00 52.86 53.81 2e9k s ASN 61 Cb -0.85 -0.83 0.12 0.00 -1.45 0.00 0.00 41.25 38.24 2e9k s ASN 61 CO 0.52 0.27 1.56 -0.33 -3.72 0.00 0.00 177.10 175.40 2e9k h GLU 62 N 4.52 -0.08 -1.27 0.43 5.08 -1.97 0.93 114.58 122.22 2e9k h GLU 62 Ca -0.48 0.01 0.37 0.00 -1.00 0.00 0.00 59.36 58.26 2e9k h GLU 62 Cb 1.16 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.35 2e9k h GLU 62 CO 0.51 -0.06 0.87 0.22 -1.00 0.00 0.00 179.01 179.55 2e9k h ASP 63 N -0.09 0.19 -2.20 1.42 3.58 -2.00 -2.87 116.42 114.46 2e9k h ASP 63 Ca 0.26 0.06 -0.76 0.00 0.42 0.00 0.00 57.03 57.00 2e9k h ASP 63 Cb 0.55 0.03 -0.20 0.00 1.72 0.00 0.00 39.33 41.44 2e9k h ASP 63 CO -0.86 -0.02 1.38 0.47 -2.88 0.00 0.00 179.24 177.34 2e9k n ASP 64 N -4.41 5.37 0.01 2.28 9.92 0.32 -4.78 116.55 125.27 2e9k n ASP 64 Ca 0.30 -3.09 -0.07 0.00 -0.53 0.00 0.00 54.79 51.41 2e9k n ASP 64 Cb 1.27 -1.48 -0.05 0.00 -0.64 0.00 0.00 41.12 40.23 2e9k n ASP 64 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2e9k h ALA 65 N 6.39 -0.15 -0.54 2.24 0.00 -1.67 -2.59 119.26 122.95 2e9k h ALA 65 Ca 0.31 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.15 2e9k h ALA 65 Cb 0.76 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.50 2e9k h ALA 65 CO 1.35 -0.16 -0.19 0.28 0.00 0.00 0.00 179.25 180.52 2e9k h VAL 66 N -0.98 0.36 -0.11 0.00 2.07 -1.81 0.09 116.25 115.87 2e9k h VAL 66 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 2e9k h VAL 66 Cb 0.40 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2e9k h VAL 66 CO 0.02 0.00 0.07 -0.33 0.02 0.00 0.00 177.57 177.35 2e9k h GLU 67 N -0.07 0.15 0.10 1.57 4.39 -1.91 -0.51 114.58 118.30 2e9k h GLU 67 Ca 0.25 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.96 2e9k h GLU 67 Cb 0.46 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.03 2e9k h GLU 67 CO -0.59 0.13 -0.45 -0.91 -1.16 0.00 0.00 179.01 176.03 2e9k h ASN 68 N 0.13 -1.36 0.47 1.42 2.35 -0.83 0.57 115.58 118.33 2e9k h ASN 68 Ca 0.04 0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 2e9k h ASN 68 Cb 0.02 0.51 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 2e9k h ASN 68 CO -0.01 -0.51 -0.32 0.78 -1.65 0.00 0.00 177.43 175.73 2e9k h ASN 69 N -0.67 -0.82 -0.98 5.81 2.35 -0.53 -2.41 115.58 118.32 2e9k h ASN 69 Ca 0.02 0.05 0.33 0.00 -0.55 0.00 0.00 56.30 56.15 2e9k h ASN 69 Cb 0.70 0.25 -0.17 0.00 0.05 0.00 0.00 38.32 39.15 2e9k h ASN 69 CO -0.27 -0.48 0.34 -0.61 -1.65 0.00 0.00 177.43 174.76 2e9k h GLN 70 N -0.75 0.07 0.10 0.81 -0.00 -1.02 -1.35 115.11 112.97 2e9k h GLN 70 Ca -0.06 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.58 2e9k h GLN 70 Cb 0.61 -0.02 -0.00 0.00 0.00 0.00 0.00 27.48 28.07 2e9k h GLN 70 CO 0.05 0.05 -0.06 1.25 0.00 0.00 0.00 178.83 180.11 2e9k h LEU 71 N 0.08 -0.16 -0.99 -2.39 5.85 -0.52 -0.05 115.31 117.12 2e9k h LEU 71 Ca 0.71 0.01 0.28 0.00 0.84 0.00 0.00 57.88 59.72 2e9k h LEU 71 Cb 1.68 0.05 -0.18 0.00 0.37 0.00 0.00 40.66 42.58 2e9k h LEU 71 CO -0.78 -0.09 0.05 0.00 -0.34 0.00 0.00 178.44 177.28 2e9k h ALA 72 N -1.78 1.21 -0.23 1.25 0.00 -0.80 0.62 119.26 119.54 2e9k h ALA 72 Ca -0.01 0.34 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 2e9k h ALA 72 Cb 0.12 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2e9k h ALA 72 CO 0.01 -0.59 0.13 0.74 0.00 0.00 0.00 179.25 179.54 2e9k h PHE 73 N 0.01 0.30 -0.80 0.00 0.04 -1.17 0.14 116.94 115.46 2e9k h PHE 73 Ca 0.61 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.35 2e9k h PHE 73 Cb 1.28 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 39.29 2e9k h PHE 73 CO -0.48 0.24 0.39 -0.44 -0.60 0.00 0.00 178.31 177.43 2e9k h ASP 74 N 0.27 1.05 -0.29 2.17 5.19 0.20 0.45 116.42 125.46 2e9k h ASP 74 Ca 0.08 -0.13 -0.06 0.00 -0.62 0.00 0.00 57.03 56.29 2e9k h ASP 74 Cb 0.04 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.27 2e9k h ASP 74 CO -0.01 0.89 -0.07 0.58 -3.12 0.00 0.00 179.24 177.51 2e9k h VAL 75 N 1.14 1.28 -0.15 -1.35 2.07 -0.29 0.77 116.25 119.71 2e9k h VAL 75 Ca 0.28 -1.10 -0.08 0.00 0.82 0.00 0.00 66.70 66.61 2e9k h VAL 75 Cb 0.12 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2e9k h VAL 75 CO -0.03 0.35 -0.27 0.00 0.02 0.00 0.00 177.57 177.64 2e9k h ALA 76 N 0.79 1.26 0.00 1.67 0.00 -0.52 0.31 119.26 122.76 2e9k h ALA 76 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2e9k h ALA 76 Cb 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2e9k h ALA 76 CO 0.03 0.49 -0.34 -1.91 0.00 0.00 0.00 179.25 177.52 2e9k n GLU 77 N -4.14 0.12 -0.10 0.00 0.00 0.13 0.46 120.64 117.11 2e9k n GLU 77 Ca -0.01 0.06 -0.12 0.00 0.00 0.00 0.00 57.16 57.09 2e9k n GLU 77 Cb 0.38 -1.60 -0.15 0.00 0.00 0.00 0.00 31.44 30.08 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 -1.78 0.68 -0.12 5.31 3.00 0.25 -3.45 116.66 120.55 2e9k n ARG 78 Ca 0.05 0.06 -0.20 0.00 -0.00 0.00 0.00 57.85 57.76 2e9k n ARG 78 Cb 0.38 -1.55 -0.07 0.00 0.00 0.00 0.00 32.46 31.22 2e9k n ARG 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2e9k n GLU 79 N -2.92 0.56 0.15 -0.14 -0.58 0.10 -4.58 120.64 113.23 2e9k n GLU 79 Ca -0.35 0.27 0.11 0.00 -0.42 0.00 0.00 57.16 56.77 2e9k n GLU 79 Cb 1.11 -1.49 0.06 0.00 -0.57 0.00 0.00 31.44 30.55 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 -1.00 0.00 -2.31 -0.32 0.04 -1.28 -3.48 116.94 108.59 2e9k h PHE 80 Ca -0.39 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.17 2e9k h PHE 80 Cb 1.32 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.49 2e9k h PHE 80 CO -0.22 0.01 -0.31 0.41 -0.60 0.00 0.00 178.31 177.60 2e9k n GLY 81 N 1.16 0.01 3.65 -1.45 0.00 0.17 -4.93 105.19 103.81 2e9k n GLY 81 Ca 0.01 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.78 5.26 0.09 -0.61 1.01 -0.76 -4.88 121.20 118.54 2e9k s ILE 82 Ca 0.12 0.15 -0.31 0.00 0.00 0.00 0.00 60.65 60.60 2e9k s ILE 82 Cb -0.05 -3.44 -0.07 0.00 0.01 0.00 0.00 42.46 38.90 2e9k s ILE 82 CO 0.14 0.36 1.38 -2.16 0.00 0.00 0.00 174.94 174.66 2e9k s PRO 83 N 0.96 4.33 0.32 2.79 0.04 -1.26 -3.56 135.00 138.61 2e9k s PRO 83 Ca 0.07 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.86 2e9k s PRO 83 Cb -0.13 -3.30 -0.10 0.00 0.04 0.00 0.00 34.50 31.01 2e9k s PRO 83 CO 0.04 -0.44 1.22 -1.25 0.04 0.00 0.00 177.00 176.61 2e9k s PRO 84 N 1.28 4.44 0.01 0.56 0.04 -1.26 -4.97 135.00 135.10 2e9k s PRO 84 Ca 0.64 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 63.55 2e9k s PRO 84 Cb -0.35 -3.09 -0.35 0.00 0.04 0.00 0.00 34.50 30.75 2e9k s PRO 84 CO 0.30 -0.05 0.98 -0.39 0.04 0.00 0.00 177.00 177.88 2e9k h VAL 85 N 3.01 1.34 -3.25 -0.36 -1.51 -1.96 -3.47 116.25 110.06 2e9k h VAL 85 Ca -0.48 -2.65 -0.46 0.00 -1.23 0.00 0.00 66.70 61.89 2e9k h VAL 85 Cb 1.22 3.07 -0.17 0.00 -2.13 0.00 0.00 31.29 33.29 2e9k h VAL 85 CO 0.66 0.78 -0.76 0.28 -1.23 0.00 0.00 177.57 177.31 2e9k s THR 86 N -2.58 1.62 0.13 7.19 -1.32 -1.26 -5.14 115.64 114.27 2e9k s THR 86 Ca -0.10 -1.96 -0.14 0.00 -1.21 0.00 0.00 61.69 58.28 2e9k s THR 86 Cb 0.03 -1.82 -0.07 0.00 -1.51 0.00 0.00 72.50 69.14 2e9k s THR 86 CO 0.92 -0.46 0.52 0.42 -2.21 0.00 0.00 174.62 173.81 2e9k s THR 87 N -2.45 4.90 0.30 5.08 -4.23 -1.26 -4.89 115.64 113.09 2e9k s THR 87 Ca 0.16 0.79 0.02 0.00 -1.18 0.00 0.00 61.69 61.48 2e9k s THR 87 Cb -0.03 -3.73 0.34 0.00 1.34 0.00 0.00 72.50 70.42 2e9k s THR 87 CO 0.05 0.28 1.61 1.23 -0.54 0.00 0.00 174.62 177.26 2e9k h GLY 88 N 3.68 1.32 0.28 3.99 0.00 -1.88 0.26 103.07 110.72 2e9k h GLY 88 Ca -0.49 0.04 0.07 0.00 0.00 0.00 0.00 47.33 46.95 2e9k h GLY 88 CO 0.66 -0.44 -0.10 0.50 0.00 0.00 0.00 176.54 177.16 2e9k h LYS 89 N 0.11 -0.02 -0.12 4.80 1.79 -1.93 -1.94 116.57 119.26 2e9k h LYS 89 Ca 0.57 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 59.00 2e9k h LYS 89 Cb 1.18 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2e9k h LYS 89 CO -0.76 -0.01 -0.10 0.93 -1.08 0.00 0.00 179.45 178.43 2e9k h GLU 90 N -0.02 0.28 -0.92 3.15 4.39 -1.08 -0.56 114.58 119.82 2e9k h GLU 90 Ca 0.17 -0.14 0.26 0.00 0.34 0.00 0.00 59.36 59.99 2e9k h GLU 90 Cb 0.27 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 28.77 2e9k h GLU 90 CO -0.37 0.67 0.20 1.98 -1.16 0.00 0.00 179.01 180.33 2e9k h MET 91 N -0.10 0.13 0.20 2.33 4.05 -0.25 0.62 114.93 121.90 2e9k h MET 91 Ca 0.02 -0.01 -0.33 0.00 -0.28 0.00 0.00 59.70 59.10 2e9k h MET 91 Cb 0.61 -0.03 0.02 0.00 -0.80 0.00 0.00 31.60 31.41 2e9k h MET 91 CO 0.03 0.08 -1.54 0.00 0.23 0.00 0.00 176.91 175.71 2e9k h ALA 92 N 1.86 0.01 0.51 0.39 0.00 -1.31 -3.38 119.26 117.33 2e9k h ALA 92 Ca 0.59 -0.97 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 2e9k h ALA 92 Cb 1.24 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2e9k h ALA 92 CO -0.74 0.88 -0.24 1.03 0.00 0.00 0.00 179.25 180.17 2e9k h SER 93 N 0.12 -0.58 -1.62 0.00 0.87 0.85 -3.40 113.55 109.79 2e9k h SER 93 Ca -0.27 0.02 -0.59 0.00 -1.23 0.00 0.00 61.79 59.73 2e9k h SER 93 Cb 2.11 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 64.21 2e9k h SER 93 CO 0.23 -0.39 1.51 0.00 -0.53 0.00 0.00 176.83 177.65 2e9k n ALA 94 N -2.37 1.40 0.42 6.23 0.00 0.19 -4.86 120.51 121.52 2e9k n ALA 94 Ca -0.08 -0.32 -0.19 0.00 0.00 0.00 0.00 53.44 52.85 2e9k n ALA 94 Cb 0.27 -2.85 -0.10 0.00 0.00 0.00 0.00 19.45 16.77 2e9k n ALA 94 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2e9k h GLN 95 N 15.04 -1.10 -4.10 0.00 1.08 -1.87 -3.37 115.11 120.79 2e9k h GLN 95 Ca -0.33 0.08 -0.72 0.00 -1.45 0.00 0.00 58.65 56.23 2e9k h GLN 95 Cb 1.27 0.25 -0.32 0.00 -0.05 0.00 0.00 27.48 28.63 2e9k h GLN 95 CO 1.02 -0.74 -0.38 -2.00 -0.95 0.00 0.00 178.83 175.79 2e9k s GLU 96 N -5.98 2.49 1.25 1.46 2.12 -1.26 -4.75 118.70 114.03 2e9k s GLU 96 Ca -0.19 -2.07 -0.21 0.00 0.36 0.00 0.00 54.97 52.87 2e9k s GLU 96 Cb 0.03 -3.84 0.31 0.00 0.26 0.00 0.00 34.13 30.89 2e9k s GLU 96 CO 0.61 -1.17 1.11 -1.25 -0.54 0.00 0.00 175.26 174.02 2e9k s PRO 97 N 0.79 -1.60 -0.66 4.30 0.04 -1.26 -4.95 135.00 131.66 2e9k s PRO 97 Ca 0.11 -0.20 -0.25 0.00 0.04 0.00 0.00 61.00 60.70 2e9k s PRO 97 Cb -0.22 -1.56 0.05 0.00 0.04 0.00 0.00 34.50 32.80 2e9k s PRO 97 CO -0.03 -3.94 1.08 -0.51 0.04 0.00 0.00 177.00 173.64 2e9k s ASP 98 N -3.99 6.21 0.26 6.66 1.01 -1.26 -4.91 116.67 120.65 2e9k s ASP 98 Ca 0.72 -0.64 -0.08 0.00 0.71 0.00 0.00 52.55 53.26 2e9k s ASP 98 Cb -0.08 -2.47 0.42 0.00 1.01 0.00 0.00 42.92 41.80 2e9k s ASP 98 CO 0.56 -1.54 1.45 1.17 0.21 0.00 0.00 175.17 177.02 2e9k n LYS 99 N 8.24 -0.09 0.31 8.23 4.81 -1.26 -0.55 118.16 137.86 2e9k n LYS 99 Ca 0.00 1.45 -0.18 0.00 -0.87 0.00 0.00 58.31 58.70 2e9k n LYS 99 Cb 0.47 -2.16 -0.10 0.00 0.02 0.00 0.00 35.03 33.26 2e9k n LYS 99 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2e9k h LEU 100 N 0.00 -1.40 -1.02 3.14 -0.00 -1.94 0.54 115.31 114.63 2e9k h LEU 100 Ca 0.44 0.11 0.31 0.00 -0.00 0.00 0.00 57.88 58.75 2e9k h LEU 100 Cb 0.68 0.46 -0.14 0.00 -0.00 0.00 0.00 40.66 41.65 2e9k h LEU 100 CO -0.95 -0.68 0.58 0.28 -0.00 0.00 0.00 178.44 177.67 2e9k h SER 101 N -1.03 0.53 0.09 -0.43 0.02 -1.23 0.23 113.55 111.74 2e9k h SER 101 Ca -0.07 0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2e9k h SER 101 Cb 0.89 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2e9k h SER 101 CO -0.05 -0.10 -0.05 0.24 -1.14 0.00 0.00 176.83 175.73 2e9k h MET 102 N 0.36 -0.12 -0.05 3.45 2.86 -0.56 -2.51 114.93 118.34 2e9k h MET 102 Ca 0.72 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 58.40 2e9k h MET 102 Cb 1.63 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 33.29 2e9k h MET 102 CO -0.58 0.29 -0.13 0.28 1.06 0.00 0.00 176.91 177.84 2e9k h VAL 103 N -0.58 0.67 -0.93 -2.22 2.07 0.14 0.12 116.25 115.52 2e9k h VAL 103 Ca -0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.64 2e9k h VAL 103 Cb 0.47 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 2e9k h VAL 103 CO 0.02 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.20 2e9k h MET 104 N -0.19 0.79 0.31 1.57 -0.00 -0.73 -1.15 114.93 115.54 2e9k h MET 104 Ca 0.06 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.70 59.70 2e9k h MET 104 Cb 0.28 -0.18 0.00 0.00 -0.00 0.00 0.00 31.60 31.70 2e9k h MET 104 CO -0.16 0.53 -0.15 -0.92 -0.00 0.00 0.00 176.91 176.20 2e9k h TYR 105 N 0.82 -0.38 -0.90 -0.10 3.20 -0.88 -3.31 116.97 115.42 2e9k h TYR 105 Ca 0.46 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.53 2e9k h TYR 105 Cb 0.60 0.13 -0.17 0.00 1.54 0.00 0.00 36.73 38.83 2e9k h TYR 105 CO -0.00 -0.24 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.12 2e9k h LEU 106 N -0.78 -0.61 -1.19 2.82 3.38 -0.64 0.59 115.31 118.87 2e9k h LEU 106 Ca -0.04 0.26 0.41 0.00 0.09 0.00 0.00 57.88 58.60 2e9k h LEU 106 Cb 0.31 0.49 -0.15 0.00 0.09 0.00 0.00 40.66 41.40 2e9k h LEU 106 CO 0.07 -0.29 0.70 0.28 0.09 0.00 0.00 178.44 179.29 2e9k h SER 107 N 0.03 0.32 -0.89 -0.43 0.02 -1.29 0.70 113.55 112.00 2e9k h SER 107 Ca 0.48 0.19 0.21 0.00 -0.84 0.00 0.00 61.79 61.83 2e9k h SER 107 Cb 0.85 0.18 -0.12 0.00 0.14 0.00 0.00 62.40 63.46 2e9k h SER 107 CO -0.87 -0.27 0.41 0.11 -1.14 0.00 0.00 176.83 175.07 2e9k h LYS 108 N 0.09 0.44 0.04 3.45 1.79 0.08 -0.81 116.57 121.66 2e9k h LYS 108 Ca 0.82 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 59.14 2e9k h LYS 108 Cb 2.32 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 32.87 2e9k h LYS 108 CO -0.58 0.29 -0.65 0.74 -1.08 0.00 0.00 179.45 178.17 2e9k h PHE 109 N 0.45 0.17 -0.53 -1.35 0.04 0.25 -3.08 116.94 112.88 2e9k h PHE 109 Ca 0.54 -0.12 0.06 0.00 2.80 0.00 0.00 57.97 61.24 2e9k h PHE 109 Cb 0.98 -0.01 -0.08 0.00 2.20 0.00 0.00 35.95 39.04 2e9k h PHE 109 CO -0.12 1.25 -0.50 -0.92 -0.60 0.00 0.00 178.31 177.42 2e9k h TYR 110 N -0.77 -1.56 -0.28 -0.55 3.20 -0.79 0.21 116.97 116.43 2e9k h TYR 110 Ca -0.15 0.09 0.01 0.00 3.14 0.00 0.00 58.73 61.82 2e9k h TYR 110 Cb 1.31 0.75 -0.02 0.00 1.54 0.00 0.00 36.73 40.31 2e9k h TYR 110 CO 0.20 -0.40 0.17 0.93 -1.64 0.00 0.00 178.16 177.42 2e9k h GLU 111 N -0.23 0.33 -0.17 1.82 4.39 -1.35 0.23 114.58 119.60 2e9k h GLU 111 Ca 0.09 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.81 2e9k h GLU 111 Cb 0.47 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 28.97 2e9k h GLU 111 CO -0.62 0.22 -0.50 1.25 -1.16 0.00 0.00 179.01 178.20 2e9k h LEU 112 N 0.34 -1.58 0.04 1.33 5.85 -1.12 -0.17 115.31 120.00 2e9k h LEU 112 Ca 0.11 0.20 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 2e9k h LEU 112 Cb -0.01 0.63 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2e9k h LEU 112 CO -0.05 -0.45 -0.02 -0.26 -0.34 0.00 0.00 178.44 177.32 2e9k h PHE 113 N -0.52 -0.05 -0.89 1.25 0.04 -0.53 -3.08 116.94 113.16 2e9k h PHE 113 Ca 0.06 -0.00 0.22 0.00 2.80 0.00 0.00 57.97 61.05 2e9k h PHE 113 Cb 0.66 0.02 -0.16 0.00 2.20 0.00 0.00 35.95 38.66 2e9k h PHE 113 CO -0.57 0.19 -0.01 -0.09 -0.60 0.00 0.00 178.31 177.23 2e9k h ARG 114 N -0.28 0.05 0.00 1.51 2.43 -0.18 -3.44 114.38 114.47 2e9k h ARG 114 Ca -0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2e9k h ARG 114 Cb 0.26 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2e9k h ARG 114 CO 0.01 0.03 0.00 0.41 -1.51 0.00 0.00 179.97 178.91 2e9k n GLY 115 N -1.48 1.65 3.51 2.80 0.00 -0.11 -5.08 105.19 106.49 2e9k n GLY 115 Ca 0.18 0.25 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 2e9k n GLY 115 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2e9k s THR 116 N 0.00 3.23 0.67 2.61 -1.32 -1.23 -4.84 115.64 114.75 2e9k s THR 116 Ca 0.00 -0.72 -0.15 0.00 -1.21 0.00 0.00 61.69 59.61 2e9k s THR 116 Cb 0.00 -2.30 0.00 0.00 -1.51 0.00 0.00 72.50 68.69 2e9k s THR 116 CO 0.00 0.55 1.11 -2.16 -2.21 0.00 0.00 174.62 171.91 2e9k s PRO 117 N -0.88 2.76 -1.05 7.08 0.04 -1.26 -4.86 135.00 136.83 2e9k s PRO 117 Ca 0.13 1.37 -0.25 0.00 0.04 0.00 0.00 61.00 62.29 2e9k s PRO 117 Cb -0.11 -1.95 -0.18 0.00 0.04 0.00 0.00 34.50 32.31 2e9k s PRO 117 CO 0.02 -1.28 1.99 1.28 0.04 0.00 0.00 177.00 179.05 2e9k n LEU 118 N -2.49 2.26 -3.32 -3.56 4.32 -1.26 -4.87 117.00 108.07 2e9k n LEU 118 Ca 0.10 -2.76 -0.43 0.00 -0.02 0.00 0.00 56.01 52.89 2e9k n LEU 118 Cb 0.52 -1.63 -0.06 0.00 -1.62 0.00 0.00 43.42 40.64 2e9k n LEU 118 CO 0.48 -2.55 0.41 -2.11 -1.22 0.00 0.00 177.39 172.40 2e9k n ARG 119 N 8.12 0.00 -2.11 3.23 0.00 -1.26 -4.76 116.66 119.88 2e9k n ARG 119 Ca 0.44 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.86 2e9k n ARG 119 Cb 0.46 -1.10 -0.03 0.00 -0.00 0.00 0.00 32.46 31.79 2e9k n ARG 119 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2e9k s PRO 120 N -0.01 3.68 0.00 2.89 0.04 -1.26 -5.31 135.00 135.03 2e9k s PRO 120 Ca 0.67 1.56 0.09 0.00 0.04 0.00 0.00 61.00 63.36 2e9k s PRO 120 Cb -0.93 -4.07 0.55 0.00 0.04 0.00 0.00 34.50 30.09 2e9k s PRO 120 CO 0.42 -1.43 1.00 1.33 0.04 0.00 0.00 177.00 178.36