#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3llq h GLY 2 N 0.00 1.26 0.53 -5.12 0.00 -2.04 -0.69 103.07 97.01 3llq h GLY 2 Ca 0.00 -0.62 0.11 0.00 0.00 0.00 0.00 47.33 46.81 3llq h GLY 2 CO 0.00 0.59 0.62 3.21 0.00 0.00 0.00 176.54 180.96 3llq h ARG 3 N 1.16 0.98 -0.10 4.80 3.08 -2.00 -2.03 114.38 120.28 3llq h ARG 3 Ca 0.28 -0.06 -0.20 0.00 0.07 0.00 0.00 59.98 60.08 3llq h ARG 3 Cb 0.12 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 3llq h ARG 3 CO -0.03 0.65 -0.75 0.87 -1.07 0.00 0.00 179.97 179.64 3llq h LYS 4 N 1.01 0.51 -0.17 0.04 1.57 -1.65 -1.42 116.57 116.47 3llq h LYS 4 Ca 0.47 -0.42 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 3llq h LYS 4 Cb 0.41 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 3llq h LYS 4 CO -0.24 1.05 -0.41 -0.07 -0.57 0.00 0.00 179.45 179.21 3llq h LEU 5 N 0.35 0.41 -0.30 2.94 3.38 -0.97 -1.52 115.31 119.61 3llq h LEU 5 Ca -0.04 -0.18 -0.20 0.00 0.09 0.00 0.00 57.88 57.56 3llq h LEU 5 Cb 1.34 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3llq h LEU 5 CO 0.14 0.77 -0.69 -0.07 0.09 0.00 0.00 178.44 178.68 3llq h LEU 6 N 0.32 0.80 -0.27 1.67 3.38 -1.25 -0.90 115.31 119.06 3llq h LEU 6 Ca 0.03 -0.49 0.02 0.00 0.09 0.00 0.00 57.88 57.53 3llq h LEU 6 Cb 0.86 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3llq h LEU 6 CO 0.07 1.26 0.13 0.00 0.09 0.00 0.00 178.44 179.99 3llq h ALA 7 N 0.73 0.33 -0.54 1.53 0.00 -0.91 0.10 119.26 120.50 3llq h ALA 7 Ca -0.03 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3llq h ALA 7 Cb 1.29 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3llq h ALA 7 CO 0.14 -0.26 0.11 0.93 0.00 0.00 0.00 179.25 180.16 3llq h GLU 8 N 0.28 0.85 0.38 0.00 4.39 -1.22 0.06 114.58 119.31 3llq h GLU 8 Ca 0.11 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 3llq h GLU 8 Cb 0.04 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 3llq h GLU 8 CO -0.08 0.78 -0.18 0.35 -1.16 0.00 0.00 179.01 178.72 3llq h PHE 9 N 0.81 -0.47 -0.86 4.33 3.57 -0.63 -0.43 116.94 123.27 3llq h PHE 9 Ca 0.17 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.68 3llq h PHE 9 Cb 0.33 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.18 3llq h PHE 9 CO 0.02 -0.14 0.56 0.74 -2.23 0.00 0.00 178.31 177.27 3llq h PHE 10 N -0.87 1.07 -0.19 0.41 0.04 -0.69 -1.17 116.94 115.54 3llq h PHE 10 Ca -0.05 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.76 3llq h PHE 10 Cb 0.54 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 3llq h PHE 10 CO 0.02 0.65 0.07 0.78 -0.60 0.00 0.00 178.31 179.23 3llq h GLY 11 N 1.13 0.23 1.60 -1.45 0.00 -0.98 0.14 103.07 103.74 3llq h GLY 11 Ca 0.32 -0.04 -0.14 0.00 0.00 0.00 0.00 47.33 47.47 3llq h GLY 11 CO -0.08 0.03 -0.52 -0.84 0.00 0.00 0.00 176.54 175.13 3llq h THR 12 N 0.16 1.33 -0.13 4.70 2.02 -0.98 -1.47 112.91 118.55 3llq h THR 12 Ca 0.08 -1.76 0.04 0.00 0.77 0.00 0.00 66.41 65.55 3llq h THR 12 Cb 0.05 1.78 -0.05 0.00 -1.74 0.00 0.00 68.15 68.18 3llq h THR 12 CO -0.08 0.54 -0.19 0.15 0.37 0.00 0.00 175.52 176.31 3llq h PHE 13 N 0.34 -0.49 -0.71 3.16 3.57 -0.93 -1.45 116.94 120.42 3llq h PHE 13 Ca 0.01 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.59 3llq h PHE 13 Cb 1.02 0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.94 3llq h PHE 13 CO 0.03 -0.27 0.41 2.35 -2.23 0.00 0.00 178.31 178.61 3llq h TRP 14 N -0.24 0.76 -0.40 0.41 -0.00 -0.78 0.47 115.95 116.16 3llq h TRP 14 Ca 0.10 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 59.06 3llq h TRP 14 Cb 0.38 -0.24 -0.04 0.00 -0.00 0.00 0.00 29.16 29.27 3llq h TRP 14 CO -0.30 0.38 0.15 1.25 -0.00 0.00 0.00 178.44 179.92 3llq h LEU 15 N 0.76 0.18 0.25 0.65 6.46 -1.00 0.18 115.31 122.78 3llq h LEU 15 Ca 0.31 0.04 -0.34 0.00 -0.12 0.00 0.00 57.88 57.77 3llq h LEU 15 Cb 0.16 0.02 0.04 0.00 -0.73 0.00 0.00 40.66 40.15 3llq h LEU 15 CO -0.17 0.14 -1.47 0.58 -0.62 0.00 0.00 178.44 176.90 3llq h VAL 16 N 0.32 1.29 -0.32 1.05 2.07 -0.88 -0.80 116.25 118.98 3llq h VAL 16 Ca 0.18 -2.70 -0.13 0.00 0.82 0.00 0.00 66.70 64.87 3llq h VAL 16 Cb 0.15 3.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 3llq h VAL 16 CO -0.17 0.81 -0.34 0.15 0.02 0.00 0.00 177.57 178.04 3llq h PHE 17 N 0.15 0.84 0.09 1.57 3.57 0.17 -1.02 116.94 122.31 3llq h PHE 17 Ca -0.25 -0.23 -0.00 0.00 3.53 0.00 0.00 57.97 61.02 3llq h PHE 17 Cb 2.16 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.72 3llq h PHE 17 CO 0.13 0.96 -0.04 0.78 -2.23 0.00 0.00 178.31 177.90 3llq h GLY 18 N 0.96 -0.12 0.77 2.40 0.00 -0.72 -0.83 103.07 105.54 3llq h GLY 18 Ca 0.06 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 3llq h GLY 18 CO 0.08 -0.04 -0.31 -1.33 0.00 0.00 0.00 176.54 174.93 3llq h GLY 19 N -0.89 -0.90 1.38 4.60 0.00 -1.23 -0.95 103.07 105.08 3llq h GLY 19 Ca -0.01 0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.58 3llq h GLY 19 CO 0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 176.54 176.21 3llq h GLY 21 N 0.97 0.22 1.95 0.00 0.00 -1.10 0.14 103.07 105.24 3llq h GLY 21 Ca 0.14 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 3llq h GLY 21 CO 0.02 0.18 -0.37 1.48 0.00 0.00 0.00 176.54 177.86 3llq h SER 22 N 0.17 0.06 -0.13 0.19 4.64 -0.77 0.42 113.55 118.14 3llq h SER 22 Ca 0.02 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 3llq h SER 22 Cb 0.78 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3llq h SER 22 CO 0.06 0.43 -0.37 0.00 -0.87 0.00 0.00 176.83 176.07 3llq h ALA 23 N 1.58 0.22 -0.16 5.18 0.00 -0.60 -1.58 119.26 123.90 3llq h ALA 23 Ca 0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 3llq h ALA 23 Cb 0.68 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3llq h ALA 23 CO 0.05 0.30 -0.16 0.28 0.00 0.00 0.00 179.25 179.72 3llq h VAL 24 N 0.08 1.34 0.07 0.00 2.07 -0.44 -3.23 116.25 116.13 3llq h VAL 24 Ca -0.01 -1.31 -0.30 0.00 0.82 0.00 0.00 66.70 65.89 3llq h VAL 24 Cb 0.99 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 3llq h VAL 24 CO 0.08 0.39 -1.61 -0.26 0.02 0.00 0.00 177.57 176.19 3llq h PHE 25 N 0.02 0.28 0.00 1.57 0.04 -1.00 -3.43 116.94 114.42 3llq h PHE 25 Ca 0.03 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.59 3llq h PHE 25 Cb 0.69 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.83 3llq h PHE 25 CO 0.08 1.30 -0.95 0.00 -0.60 0.00 0.00 178.31 178.14 3llq n ALA 26 N -2.66 1.92 -0.25 2.45 0.00 -0.65 -4.60 120.51 116.73 3llq n ALA 26 Ca -0.17 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.22 3llq n ALA 26 Cb 1.04 0.11 0.10 0.00 0.00 0.00 0.00 19.45 20.70 3llq n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3llq h ALA 27 N 0.00 1.10 -0.40 0.00 0.00 -1.44 -1.29 119.26 117.24 3llq h ALA 27 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3llq h ALA 27 Cb 0.42 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3llq h ALA 27 CO 0.00 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.88 3llq n ALA 28 N -2.44 2.37 -1.68 0.00 0.00 -1.26 -1.24 120.51 116.26 3llq n ALA 28 Ca 0.06 -1.35 -0.45 0.00 0.00 0.00 0.00 53.44 51.71 3llq n ALA 28 Cb 0.19 -0.56 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 3llq n ALA 28 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3llq n PHE 29 N 0.53 2.26 -1.91 0.00 7.35 -1.13 -4.84 117.46 119.72 3llq n PHE 29 Ca 0.15 0.39 -0.41 0.00 -0.76 0.00 0.00 57.45 56.82 3llq n PHE 29 Cb 0.54 -2.49 -0.01 0.00 0.35 0.00 0.00 39.48 37.87 3llq n PHE 29 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3llq s PRO 30 N -0.24 4.20 0.00 -7.13 0.02 -1.26 -0.91 135.00 129.67 3llq s PRO 30 Ca 0.69 2.44 0.00 0.00 0.02 0.00 0.00 61.00 64.15 3llq s PRO 30 Cb -0.64 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 30.85 3llq s PRO 30 CO 0.48 -0.45 0.00 0.39 -0.33 0.00 0.00 177.00 177.09 3llq n GLU 31 N 1.25 0.00 0.00 5.54 -0.58 -1.26 -4.19 120.64 121.40 3llq n GLU 31 Ca 0.03 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.79 3llq n GLU 31 Cb 0.40 -0.06 0.01 0.00 -0.57 0.00 0.00 31.44 31.22 3llq n GLU 31 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3llq n LEU 32 N 0.00 1.21 -4.64 -4.62 4.77 -1.22 -5.04 117.00 107.45 3llq n LEU 32 Ca 0.00 -0.98 -0.30 0.00 -0.03 0.00 0.00 56.01 54.70 3llq n LEU 32 Cb 0.00 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.27 3llq n LEU 32 CO 0.00 0.27 0.63 -0.83 -1.33 0.00 0.00 177.39 176.13 3llq s GLY 33 N -0.28 1.62 0.00 -0.72 0.00 -0.09 -4.95 107.32 102.89 3llq s GLY 33 Ca 0.03 0.10 0.23 0.00 0.00 0.00 0.00 44.72 45.09 3llq s GLY 33 CO 0.04 0.64 1.19 0.29 0.00 0.00 0.00 173.10 175.25 3llq n ILE 34 N -4.27 0.00 -2.50 0.90 -5.35 -0.50 -4.92 119.36 102.71 3llq n ILE 34 Ca 0.07 -0.06 0.08 0.00 -0.27 0.00 0.00 62.75 62.57 3llq n ILE 34 Cb 0.54 0.72 -0.02 0.00 -1.74 0.00 0.00 39.64 39.14 3llq n ILE 34 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3llq n GLY 35 N 1.46 -1.74 0.29 3.28 0.00 -0.37 -0.83 105.19 107.28 3llq n GLY 35 Ca 0.06 -1.23 -0.01 0.00 0.00 0.00 0.00 46.02 44.85 3llq n GLY 35 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3llq h PHE 36 N -0.51 0.69 -0.89 1.61 0.04 -1.97 -2.66 116.94 113.25 3llq h PHE 36 Ca 0.01 -0.05 0.03 0.00 2.80 0.00 0.00 57.97 60.76 3llq h PHE 36 Cb 0.51 -0.21 -0.05 0.00 2.20 0.00 0.00 35.95 38.40 3llq h PHE 36 CO 0.00 0.59 0.58 1.15 -0.60 0.00 0.00 178.31 180.03 3llq h THR 37 N 0.66 1.16 -0.02 -1.55 2.02 -1.96 -0.12 112.91 113.10 3llq h THR 37 Ca 0.15 -0.39 -0.21 0.00 0.77 0.00 0.00 66.41 66.73 3llq h THR 37 Cb 0.25 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.59 3llq h THR 37 CO -0.00 0.21 -0.87 1.23 0.37 0.00 0.00 175.52 176.45 3llq h GLY 38 N 1.13 0.39 0.99 2.16 0.00 -0.75 0.87 103.07 107.87 3llq h GLY 38 Ca 0.35 -0.65 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 3llq h GLY 38 CO -0.11 0.58 0.09 -2.08 0.00 0.00 0.00 176.54 175.01 3llq h VAL 39 N 0.21 1.25 -0.01 4.60 2.07 -1.24 0.63 116.25 123.76 3llq h VAL 39 Ca -0.06 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 3llq h VAL 39 Cb 1.49 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 3llq h VAL 39 CO 0.15 0.34 0.00 0.00 0.02 0.00 0.00 177.57 178.07 3llq h ALA 40 N 0.98 0.01 -0.10 1.67 0.00 -0.75 0.51 119.26 121.58 3llq h ALA 40 Ca 0.16 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3llq h ALA 40 Cb 0.40 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3llq h ALA 40 CO 0.01 -0.45 -0.03 1.25 0.00 0.00 0.00 179.25 180.03 3llq h LEU 41 N -0.07 -0.11 -0.61 0.00 5.85 -0.74 -2.67 115.31 116.96 3llq h LEU 41 Ca 0.00 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.85 3llq h LEU 41 Cb 0.08 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.07 3llq h LEU 41 CO -0.00 -0.04 -0.42 0.00 -0.34 0.00 0.00 178.44 177.63 3llq h ALA 42 N 1.09 -0.27 -0.64 1.25 0.00 -0.42 -0.85 119.26 119.41 3llq h ALA 42 Ca 0.05 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3llq h ALA 42 Cb 0.09 0.95 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 3llq h ALA 42 CO -0.11 -0.80 0.08 0.74 0.00 0.00 0.00 179.25 179.16 3llq h PHE 43 N -0.20 1.15 -0.54 0.00 0.04 -0.79 -0.80 116.94 115.79 3llq h PHE 43 Ca 0.19 -0.16 -0.05 0.00 2.80 0.00 0.00 57.97 60.75 3llq h PHE 43 Cb 0.56 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.37 3llq h PHE 43 CO -0.71 0.97 0.14 0.78 -0.60 0.00 0.00 178.31 178.89 3llq h GLY 44 N 1.04 0.89 2.00 -1.45 0.00 -1.27 -2.19 103.07 102.09 3llq h GLY 44 Ca 0.19 -0.50 -0.10 0.00 0.00 0.00 0.00 47.33 46.92 3llq h GLY 44 CO 0.02 0.47 -0.49 1.41 0.00 0.00 0.00 176.54 177.94 3llq h LEU 45 N 0.80 0.00 -1.31 3.11 3.38 -0.02 -1.00 115.31 120.27 3llq h LEU 45 Ca 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3llq h LEU 45 Cb 0.28 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3llq h LEU 45 CO -0.00 0.49 0.35 0.71 0.09 0.00 0.00 178.44 180.08 3llq h THR 46 N 0.00 1.18 0.19 0.22 1.35 -0.53 -0.05 112.91 115.27 3llq h THR 46 Ca -0.00 -0.41 -0.26 0.00 -0.55 0.00 0.00 66.41 65.18 3llq h THR 46 Cb 1.06 0.34 0.03 0.00 -1.73 0.00 0.00 68.15 67.84 3llq h THR 46 CO 0.06 0.19 -1.15 0.58 -0.25 0.00 0.00 175.52 174.95 3llq h VAL 47 N 0.84 1.38 -0.54 6.82 2.07 -1.42 -1.29 116.25 124.11 3llq h VAL 47 Ca 0.22 -2.60 0.02 0.00 0.82 0.00 0.00 66.70 65.16 3llq h VAL 47 Cb -0.01 3.10 -0.03 0.00 -1.52 0.00 0.00 31.29 32.83 3llq h VAL 47 CO -0.04 0.76 0.33 0.25 0.02 0.00 0.00 177.57 178.90 3llq h LEU 48 N -0.14 0.55 -0.13 2.57 6.46 -0.99 0.19 115.31 123.82 3llq h LEU 48 Ca -0.20 -0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.46 3llq h LEU 48 Cb 1.88 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 41.69 3llq h LEU 48 CO 0.20 0.39 -0.27 0.71 -0.62 0.00 0.00 178.44 178.86 3llq h THR 49 N 0.67 1.37 0.00 1.05 1.35 -0.94 -1.86 112.91 114.55 3llq h THR 49 Ca 0.21 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 3llq h THR 49 Cb -0.01 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3llq h THR 49 CO -0.08 0.45 0.00 0.24 -0.25 0.00 0.00 175.52 175.88 3llq h MET 50 N 0.01 0.00 -0.44 4.72 2.86 -1.24 -1.06 114.93 119.77 3llq h MET 50 Ca 0.00 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.57 3llq h MET 50 Cb 0.86 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.50 3llq h MET 50 CO 0.06 0.00 -0.02 0.00 1.06 0.00 0.00 176.91 178.01 3llq h ALA 51 N 2.01 0.60 -0.30 6.32 0.00 -0.47 0.18 119.26 127.60 3llq h ALA 51 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3llq h ALA 51 Cb 0.85 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3llq h ALA 51 CO 0.00 0.41 0.09 1.88 0.00 0.00 0.00 179.25 181.64 3llq h TYR 52 N 0.64 0.47 -0.29 0.00 -1.99 -1.25 0.89 116.97 115.44 3llq h TYR 52 Ca 0.12 -0.05 -0.08 0.00 2.00 0.00 0.00 58.73 60.72 3llq h TYR 52 Cb 0.53 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 39.11 3llq h TYR 52 CO 0.04 0.49 -0.15 0.00 -0.00 0.00 0.00 178.16 178.55 3llq h ALA 53 N 0.93 0.40 0.00 3.88 0.00 -0.88 -3.39 119.26 120.19 3llq h ALA 53 Ca 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3llq h ALA 53 Cb 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3llq h ALA 53 CO -0.00 0.30 0.00 1.33 0.00 0.00 0.00 179.25 180.87 3llq n VAL 54 N -4.41 0.02 0.24 0.00 0.24 0.62 -4.77 118.33 110.27 3llq n VAL 54 Ca -0.03 -0.32 0.08 0.00 -2.04 0.00 0.00 64.34 62.02 3llq n VAL 54 Cb 0.37 1.35 0.62 0.00 -1.47 0.00 0.00 33.84 34.71 3llq n VAL 54 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3llq h GLY 55 N 0.00 0.03 0.74 7.63 0.00 -0.60 0.21 103.07 111.08 3llq h GLY 55 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3llq h GLY 55 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.16 3llq n GLY 56 N -1.49 -1.00 0.31 4.60 0.00 -1.26 -0.35 105.19 106.01 3llq n GLY 56 Ca -0.03 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 3llq n GLY 56 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3llq n ILE 57 N -0.87 1.38 0.95 -0.61 5.41 0.70 -4.74 119.36 121.58 3llq n ILE 57 Ca 0.18 0.09 0.10 0.00 1.00 0.00 0.00 62.75 64.12 3llq n ILE 57 Cb 0.08 -2.09 -0.08 0.00 -0.71 0.00 0.00 39.64 36.84 3llq n ILE 57 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3llq n SER 58 N -4.18 1.25 0.00 4.38 3.41 -1.01 -4.81 113.62 112.65 3llq n SER 58 Ca -0.18 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.31 3llq n SER 58 Cb 0.49 0.85 0.00 0.00 -0.26 0.00 0.00 64.21 65.29 3llq n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3llq n GLY 59 N 1.45 2.73 3.55 5.00 0.00 0.53 -4.72 105.19 113.72 3llq n GLY 59 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 3llq n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3llq n GLY 60 N -2.00 -0.96 0.11 -0.02 0.00 -1.24 -4.85 105.19 96.23 3llq n GLY 60 Ca 0.00 0.46 -0.09 0.00 0.00 0.00 0.00 46.02 46.39 3llq n GLY 60 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3llq h HIS 61 N -1.63 -0.14 -2.71 1.61 3.86 -1.95 -3.48 115.15 110.71 3llq h HIS 61 Ca -0.64 -0.00 -0.40 0.00 -1.16 0.00 0.00 60.37 58.17 3llq h HIS 61 Cb 1.34 0.05 -0.05 0.00 1.06 0.00 0.00 27.41 29.81 3llq h HIS 61 CO 0.34 0.30 -0.48 1.19 0.86 0.00 0.00 177.93 180.14 3llq n PHE 62 N -4.85 -0.86 -3.15 2.45 3.72 -1.26 -4.86 117.46 108.65 3llq n PHE 62 Ca -0.06 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.39 3llq n PHE 62 Cb 0.25 -3.74 -0.03 0.00 -0.94 0.00 0.00 39.48 35.02 3llq n PHE 62 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3llq s ASN 63 N -2.17 -0.03 0.45 4.37 3.84 -1.26 -4.71 114.94 115.43 3llq s ASN 63 Ca 0.00 0.02 0.14 0.00 0.21 0.00 0.00 52.86 53.24 3llq s ASN 63 Cb 0.00 1.03 1.08 0.00 -0.55 0.00 0.00 41.25 42.80 3llq s ASN 63 CO 0.00 -0.00 2.03 -0.65 -2.79 0.00 0.00 177.10 175.68 3llq h PRO 64 N 7.58 0.31 0.00 0.43 0.11 -1.92 -0.97 132.00 137.54 3llq h PRO 64 Ca -0.11 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.83 3llq h PRO 64 Cb 1.16 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3llq h PRO 64 CO -0.12 0.21 -0.72 0.00 -0.21 0.00 0.00 178.00 177.16 3llq h ALA 65 N 1.76 0.74 -0.08 -0.75 0.00 -1.88 -0.69 119.26 118.35 3llq h ALA 65 Ca 0.20 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3llq h ALA 65 Cb 0.39 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3llq h ALA 65 CO -0.05 0.90 0.03 0.28 0.00 0.00 0.00 179.25 180.41 3llq h VAL 66 N 0.00 1.17 -0.76 0.00 2.07 -1.52 -1.67 116.25 115.53 3llq h VAL 66 Ca -0.01 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.06 3llq h VAL 66 Cb 1.33 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 32.39 3llq h VAL 66 CO 0.09 0.14 0.47 0.28 0.02 0.00 0.00 177.57 178.58 3llq h SER 67 N -0.05 0.74 -0.40 0.57 0.02 -1.15 0.73 113.55 114.02 3llq h SER 67 Ca 0.03 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3llq h SER 67 Cb 0.21 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3llq h SER 67 CO -0.00 0.49 0.12 0.58 -1.14 0.00 0.00 176.83 176.88 3llq h VAL 68 N 0.88 1.22 -0.46 2.27 2.07 -1.13 -1.22 116.25 119.88 3llq h VAL 68 Ca 0.32 -0.72 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 3llq h VAL 68 Cb 0.11 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3llq h VAL 68 CO -0.15 0.25 -0.08 1.23 0.02 0.00 0.00 177.57 178.84 3llq h GLY 69 N 0.50 0.94 1.95 2.17 0.00 -0.62 -0.02 103.07 107.99 3llq h GLY 69 Ca 0.13 -0.75 -0.08 0.00 0.00 0.00 0.00 47.33 46.62 3llq h GLY 69 CO -0.00 0.69 -0.36 1.41 0.00 0.00 0.00 176.54 178.27 3llq h LEU 70 N 0.71 0.06 -0.12 3.11 3.38 -0.87 -0.35 115.31 121.24 3llq h LEU 70 Ca 0.12 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3llq h LEU 70 Cb 0.62 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3llq h LEU 70 CO 0.04 0.43 -0.03 0.74 0.09 0.00 0.00 178.44 179.70 3llq h THR 71 N 0.05 1.29 0.00 0.22 2.02 -0.49 -0.52 112.91 115.49 3llq h THR 71 Ca 0.00 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 3llq h THR 71 Cb 0.67 1.71 -0.00 0.00 -1.74 0.00 0.00 68.15 68.79 3llq h THR 71 CO 0.05 0.28 -0.03 0.58 0.37 0.00 0.00 175.52 176.77 3llq h VAL 72 N -0.09 0.95 -0.00 3.16 2.07 -0.85 0.41 116.25 121.89 3llq h VAL 72 Ca 0.03 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3llq h VAL 72 Cb 0.45 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3llq h VAL 72 CO 0.01 0.03 -0.06 0.00 0.02 0.00 0.00 177.57 177.57 3llq n ALA 73 N -2.50 2.66 -1.12 1.67 0.00 -0.16 -4.87 120.51 116.20 3llq n ALA 73 Ca -0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 53.44 53.15 3llq n ALA 73 Cb 0.12 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.14 3llq n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3llq n GLY 74 N 1.26 0.69 0.10 0.00 0.00 0.13 -4.91 105.19 102.47 3llq n GLY 74 Ca 0.15 -0.49 0.12 0.00 0.00 0.00 0.00 46.02 45.80 3llq n GLY 74 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3llq h ARG 75 N 0.25 0.00 -2.93 1.61 2.47 -1.30 -3.48 114.38 111.00 3llq h ARG 75 Ca -0.08 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.47 3llq h ARG 75 Cb 0.38 0.00 -0.27 0.00 -1.65 0.00 0.00 29.97 28.42 3llq h ARG 75 CO 0.12 0.00 -0.40 0.12 0.56 0.00 0.00 179.97 180.37 3llq s PHE 76 N -3.16 -0.39 0.09 3.04 5.36 -1.07 -4.97 117.98 116.87 3llq s PHE 76 Ca 0.07 0.91 -0.31 0.00 -0.96 0.00 0.00 56.93 56.65 3llq s PHE 76 Cb 0.12 0.12 -0.08 0.00 -0.34 0.00 0.00 43.02 42.84 3llq s PHE 76 CO 0.67 -0.24 1.43 -1.25 -1.46 0.00 0.00 175.22 174.38 3llq s PRO 77 N 0.93 4.29 0.60 10.12 0.04 -1.26 -4.26 135.00 145.46 3llq s PRO 77 Ca -0.06 2.10 0.30 0.00 0.04 0.00 0.00 61.00 63.37 3llq s PRO 77 Cb -0.07 -3.36 1.70 0.00 0.04 0.00 0.00 34.50 32.81 3llq s PRO 77 CO -0.07 -0.52 2.10 0.00 0.04 0.00 0.00 177.00 178.56 3llq h ALA 78 N 7.22 1.74 0.00 8.56 0.00 -1.97 -0.31 119.26 134.49 3llq h ALA 78 Ca -0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3llq h ALA 78 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3llq h ALA 78 CO 0.88 -0.29 0.00 -1.13 0.00 0.00 0.00 179.25 178.71 3llq n SER 79 N -3.70 0.59 -0.63 0.00 3.41 -1.26 -1.71 113.62 110.31 3llq n SER 79 Ca 0.01 0.67 0.11 0.00 -0.26 0.00 0.00 58.87 59.40 3llq n SER 79 Cb 0.32 -0.78 0.03 0.00 -0.26 0.00 0.00 64.21 63.52 3llq n SER 79 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3llq n SER 80 N -2.17 2.30 0.35 4.04 7.64 -0.13 -4.63 113.62 121.02 3llq n SER 80 Ca 0.02 -1.65 -0.18 0.00 1.01 0.00 0.00 58.87 58.07 3llq n SER 80 Cb 0.19 0.34 -0.09 0.00 -1.01 0.00 0.00 64.21 63.64 3llq n SER 80 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3llq h LEU 81 N 3.07 -0.80 -0.11 -3.43 5.85 -1.40 -1.75 115.31 116.74 3llq h LEU 81 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3llq h LEU 81 Cb 0.82 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 3llq h LEU 81 CO 0.00 -0.55 0.07 0.58 -0.34 0.00 0.00 178.44 178.20 3llq h VAL 82 N -0.89 1.05 -0.41 1.05 2.07 -1.82 0.02 116.25 117.31 3llq h VAL 82 Ca -0.08 -0.11 0.06 0.00 0.82 0.00 0.00 66.70 67.38 3llq h VAL 82 Cb 0.70 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 3llq h VAL 82 CO 0.12 0.04 0.12 -0.65 0.02 0.00 0.00 177.57 177.23 3llq h PRO 83 N 0.13 0.27 -0.75 1.57 0.11 -1.85 -0.38 132.00 131.10 3llq h PRO 83 Ca 0.04 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.19 3llq h PRO 83 Cb 0.01 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 31.00 3llq h PRO 83 CO -0.01 0.18 0.45 1.88 -0.21 0.00 0.00 178.00 180.29 3llq h TYR 84 N 0.27 0.83 -0.46 0.65 -1.99 -0.79 -0.56 116.97 114.93 3llq h TYR 84 Ca 0.19 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.90 3llq h TYR 84 Cb 0.20 -0.26 -0.02 0.00 2.00 0.00 0.00 36.73 38.65 3llq h TYR 84 CO -0.17 0.42 0.09 0.28 -0.00 0.00 0.00 178.16 178.78 3llq h VAL 85 N 0.83 1.21 -0.28 -2.88 2.07 -0.18 -1.23 116.25 115.79 3llq h VAL 85 Ca 0.33 -0.76 -0.10 0.00 0.82 0.00 0.00 66.70 66.98 3llq h VAL 85 Cb 0.16 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3llq h VAL 85 CO -0.17 0.28 -0.23 0.40 0.02 0.00 0.00 177.57 177.87 3llq h ILE 86 N 0.67 1.30 -0.68 4.57 1.08 -0.28 -1.29 117.51 122.88 3llq h ILE 86 Ca 0.15 -1.38 -0.01 0.00 -0.39 0.00 0.00 64.86 63.23 3llq h ILE 86 Cb 0.28 1.58 -0.03 0.00 -3.07 0.00 0.00 36.82 35.58 3llq h ILE 86 CO 0.00 0.44 0.39 0.00 -0.69 0.00 0.00 178.15 178.29 3llq h ALA 87 N 0.71 1.41 -0.05 1.87 0.00 -0.73 -2.02 119.26 120.45 3llq h ALA 87 Ca 0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3llq h ALA 87 Cb 0.78 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3llq h ALA 87 CO 0.06 0.50 -0.13 1.96 0.00 0.00 0.00 179.25 181.64 3llq h GLN 88 N 0.94 0.17 -0.05 0.00 4.20 -1.05 -1.56 115.11 117.75 3llq h GLN 88 Ca 0.24 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.76 3llq h GLN 88 Cb -0.01 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3llq h GLN 88 CO -0.04 0.73 -0.32 0.28 -0.67 0.00 0.00 178.83 178.81 3llq h VAL 89 N -0.37 1.25 -0.25 -0.54 2.07 -1.25 -2.05 116.25 115.11 3llq h VAL 89 Ca -0.00 -1.17 -0.07 0.00 0.82 0.00 0.00 66.70 66.27 3llq h VAL 89 Cb 0.74 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 3llq h VAL 89 CO 0.03 0.34 -0.12 0.00 0.02 0.00 0.00 177.57 177.84 3llq h ALA 90 N 1.59 0.35 -0.74 1.67 0.00 -1.35 -2.09 119.26 118.69 3llq h ALA 90 Ca 0.01 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.65 3llq h ALA 90 Cb 0.61 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 3llq h ALA 90 CO 0.04 0.21 0.46 0.78 0.00 0.00 0.00 179.25 180.74 3llq h GLY 91 N 0.24 1.07 0.95 0.00 0.00 -1.10 -0.94 103.07 103.29 3llq h GLY 91 Ca 0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 3llq h GLY 91 CO 0.04 0.28 0.18 0.00 0.00 0.00 0.00 176.54 177.04 3llq h ALA 92 N 1.32 0.46 -0.50 3.60 0.00 -1.31 -0.03 119.26 122.80 3llq h ALA 92 Ca 0.30 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3llq h ALA 92 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3llq h ALA 92 CO -0.12 0.00 0.12 0.82 0.00 0.00 0.00 179.25 180.07 3llq h ILE 93 N 0.44 1.24 -0.46 0.00 2.04 -1.24 0.25 117.51 119.78 3llq h ILE 93 Ca 0.12 -0.85 -0.11 0.00 1.00 0.00 0.00 64.86 65.02 3llq h ILE 93 Cb 0.09 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3llq h ILE 93 CO -0.02 0.31 -0.14 0.58 0.00 0.00 0.00 178.15 178.88 3llq h VAL 94 N 0.68 1.26 -0.50 1.67 2.07 -1.03 -1.84 116.25 118.58 3llq h VAL 94 Ca 0.16 -1.25 -0.06 0.00 0.82 0.00 0.00 66.70 66.36 3llq h VAL 94 Cb 0.34 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3llq h VAL 94 CO 0.00 0.43 0.07 0.00 0.02 0.00 0.00 177.57 178.09 3llq h ALA 95 N 1.06 0.66 -0.97 1.67 0.00 -0.66 -1.81 119.26 119.22 3llq h ALA 95 Ca 0.12 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.87 3llq h ALA 95 Cb 0.66 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 3llq h ALA 95 CO 0.05 0.41 0.63 0.00 0.00 0.00 0.00 179.25 180.33 3llq h ALA 96 N 0.96 1.48 -0.20 0.00 0.00 -0.29 -0.91 119.26 120.29 3llq h ALA 96 Ca 0.15 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 3llq h ALA 96 Cb 0.42 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3llq h ALA 96 CO 0.01 0.35 -0.53 0.00 0.00 0.00 0.00 179.25 179.08 3llq h ALA 97 N 1.49 0.69 -0.18 0.00 0.00 -1.06 0.10 119.26 120.29 3llq h ALA 97 Ca 0.43 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3llq h ALA 97 Cb 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3llq h ALA 97 CO -0.18 0.68 -0.26 0.00 0.00 0.00 0.00 179.25 179.49 3llq h ALA 98 N 0.95 0.28 -0.76 0.00 0.00 -0.68 -1.40 119.26 117.65 3llq h ALA 98 Ca 0.01 -0.39 0.07 0.00 0.00 0.00 0.00 54.91 54.61 3llq h ALA 98 Cb 1.08 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 3llq h ALA 98 CO 0.10 0.27 0.43 -0.07 0.00 0.00 0.00 179.25 179.98 3llq h LEU 99 N 0.16 0.63 -0.08 0.00 3.38 -1.12 -0.95 115.31 117.33 3llq h LEU 99 Ca 0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3llq h LEU 99 Cb 0.84 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 3llq h LEU 99 CO 0.06 0.38 0.05 0.22 0.09 0.00 0.00 178.44 179.24 3llq h TYR 100 N 0.76 0.08 -0.65 1.13 3.20 -0.55 0.32 116.97 121.27 3llq h TYR 100 Ca 0.35 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.26 3llq h TYR 100 Cb 0.26 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 3llq h TYR 100 CO -0.07 0.05 0.39 0.28 -1.64 0.00 0.00 178.16 177.17 3llq h VAL 101 N 0.10 1.06 -0.19 1.81 2.07 -1.04 -2.34 116.25 117.71 3llq h VAL 101 Ca 0.03 -0.26 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 3llq h VAL 101 Cb -0.00 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.00 3llq h VAL 101 CO -0.01 0.14 -0.32 0.40 0.02 0.00 0.00 177.57 177.79 3llq h ILE 102 N 0.76 1.34 -0.69 4.57 2.04 -0.86 -3.20 117.51 121.45 3llq h ILE 102 Ca 0.27 -1.54 0.07 0.00 1.00 0.00 0.00 64.86 64.65 3llq h ILE 102 Cb 0.06 1.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.94 3llq h ILE 102 CO -0.12 0.47 0.38 0.00 0.00 0.00 0.00 178.15 178.89 3llq h ALA 103 N 0.60 0.94 0.00 1.87 0.00 -0.22 -1.56 119.26 120.89 3llq h ALA 103 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3llq h ALA 103 Cb 0.91 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3llq h ALA 103 CO 0.07 0.05 0.00 0.25 0.00 0.00 0.00 179.25 179.63 3llq n THR 104 N -4.78 0.15 1.15 0.00 -2.24 -0.89 -1.98 114.28 105.68 3llq n THR 104 Ca 0.09 0.04 0.03 0.00 -2.27 0.00 0.00 64.05 61.94 3llq n THR 104 Cb 0.19 -0.65 0.16 0.00 -2.10 0.00 0.00 70.33 67.93 3llq n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3llq n GLY 105 N 0.63 -0.57 3.31 3.38 0.00 -0.59 -4.41 105.19 106.94 3llq n GLY 105 Ca 0.14 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3llq n GLY 105 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3llq s LYS 106 N -2.00 3.15 0.17 1.61 2.20 -0.84 -5.07 119.74 118.96 3llq s LYS 106 Ca 0.08 -0.79 -0.34 0.00 -0.36 0.00 0.00 55.97 54.56 3llq s LYS 106 Cb 0.04 -3.18 -0.14 0.00 -1.51 0.00 0.00 37.83 33.04 3llq s LYS 106 CO 0.06 -0.34 1.46 0.00 -0.36 0.00 0.00 175.35 176.17 3llq n ALA 107 N 4.80 0.70 -2.43 3.13 0.00 -1.26 -2.59 120.51 122.87 3llq n ALA 107 Ca -0.16 0.45 -0.18 0.00 0.00 0.00 0.00 53.44 53.55 3llq n ALA 107 Cb 0.49 -2.26 -0.01 0.00 0.00 0.00 0.00 19.45 17.67 3llq n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3llq n GLY 108 N 2.82 -0.50 3.77 0.00 0.00 -1.26 -4.95 105.19 105.07 3llq n GLY 108 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3llq n GLY 108 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3llq s ILE 109 N -2.90 3.48 -0.37 -0.61 2.07 -1.07 -5.02 121.20 116.79 3llq s ILE 109 Ca 0.01 1.29 -0.11 0.00 -1.41 0.00 0.00 60.65 60.43 3llq s ILE 109 Cb -0.00 -3.75 0.02 0.00 0.13 0.00 0.00 42.46 38.86 3llq s ILE 109 CO 0.01 0.16 0.21 -0.62 -1.91 0.00 0.00 174.94 172.78 3llq s ASP 110 N -1.20 5.75 0.39 4.50 -1.08 -1.26 -4.96 116.67 118.81 3llq s ASP 110 Ca 0.53 -0.90 0.14 0.00 -0.52 0.00 0.00 52.55 51.80 3llq s ASP 110 Cb -0.28 -2.04 0.79 0.00 -1.46 0.00 0.00 42.92 39.93 3llq s ASP 110 CO 0.35 -0.36 1.84 -0.07 0.52 0.00 0.00 175.17 177.46 3llq h LEU 111 N 8.44 0.00 0.00 -1.34 4.07 -1.99 -3.48 115.31 121.02 3llq h LEU 111 Ca -0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.69 3llq h LEU 111 Cb 1.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.85 3llq h LEU 111 CO 0.66 0.35 0.00 0.61 -1.08 0.00 0.00 178.44 178.98 3llq n GLY 112 N -0.44 2.69 0.02 0.83 0.00 -1.26 -1.71 105.19 105.31 3llq n GLY 112 Ca -0.02 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.78 3llq n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3llq n GLY 113 N 0.00 -1.14 3.91 -0.02 0.00 -1.26 -4.92 105.19 101.76 3llq n GLY 113 Ca 0.00 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 3llq n GLY 113 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3llq n PHE 114 N -1.60 -2.10 -1.28 1.61 7.35 -0.69 -0.78 117.46 119.96 3llq n PHE 114 Ca 0.04 0.82 -0.10 0.00 -0.76 0.00 0.00 57.45 57.45 3llq n PHE 114 Cb 0.21 -3.61 -0.04 0.00 0.35 0.00 0.00 39.48 36.39 3llq n PHE 114 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3llq n ALA 115 N -4.45 -0.15 -1.76 3.13 0.00 -1.26 -4.82 120.51 111.20 3llq n ALA 115 Ca 0.04 0.16 -0.38 0.00 0.00 0.00 0.00 53.44 53.26 3llq n ALA 115 Cb 0.52 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.57 3llq n ALA 115 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3llq s SER 116 N -2.56 5.75 0.29 0.00 0.01 0.04 -4.97 113.70 112.27 3llq s SER 116 Ca 0.00 2.63 -0.22 0.00 1.31 0.00 0.00 55.95 59.66 3llq s SER 116 Cb 0.00 -2.63 -0.09 0.00 0.21 0.00 0.00 66.02 63.51 3llq s SER 116 CO 0.00 -1.23 0.84 0.20 0.41 0.00 0.00 173.24 173.47 3llq s ASN 117 N -1.00 7.16 0.32 2.44 -0.87 -1.26 -4.87 114.94 116.86 3llq s ASN 117 Ca 0.66 1.62 -0.10 0.00 -1.57 0.00 0.00 52.86 53.47 3llq s ASN 117 Cb -0.37 -2.50 0.02 0.00 -0.02 0.00 0.00 41.25 38.38 3llq s ASN 117 CO 0.45 -0.06 0.58 -0.83 -2.57 0.00 0.00 177.10 174.67 3llq s GLY 118 N -1.72 0.79 0.30 0.66 0.00 -1.17 -4.89 107.32 101.29 3llq s GLY 118 Ca 0.48 -1.03 0.04 0.00 0.00 0.00 0.00 44.72 44.21 3llq s GLY 118 CO 0.21 -0.63 0.27 -2.52 0.00 0.00 0.00 173.10 170.43 3llq s TYR 119 N -3.17 1.51 0.00 1.90 -0.85 -1.25 -4.06 117.35 111.43 3llq s TYR 119 Ca 0.22 -1.54 0.00 0.00 -0.52 0.00 0.00 57.07 55.24 3llq s TYR 119 Cb -0.02 -0.60 0.00 0.00 0.38 0.00 0.00 41.96 41.72 3llq s TYR 119 CO 0.14 -0.84 0.00 0.41 -1.52 0.00 0.00 175.55 173.73 3llq n GLY 120 N -0.53 2.39 0.29 5.49 0.00 0.05 -0.66 105.19 112.23 3llq n GLY 120 Ca 0.05 0.38 0.17 0.00 0.00 0.00 0.00 46.02 46.62 3llq n GLY 120 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3llq h GLU 121 N 0.00 0.00 -0.50 1.61 4.81 -1.91 -2.58 114.58 116.01 3llq h GLU 121 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3llq h GLU 121 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3llq h GLU 121 CO 0.00 0.05 0.00 0.72 -0.73 0.00 0.00 179.01 179.05 3llq n HIS 122 N -3.39 0.80 -2.75 0.92 8.25 0.16 -4.86 115.22 114.36 3llq n HIS 122 Ca -0.02 -0.54 -0.42 0.00 -0.26 0.00 0.00 57.72 56.48 3llq n HIS 122 Cb 0.18 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.19 3llq n HIS 122 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3llq s SER 123 N -1.06 7.26 0.45 0.41 0.15 -0.97 -3.96 113.70 115.98 3llq s SER 123 Ca 0.37 1.53 0.26 0.00 0.70 0.00 0.00 55.95 58.81 3llq s SER 123 Cb 0.21 -2.54 1.28 0.00 -1.71 0.00 0.00 66.02 63.26 3llq s SER 123 CO 0.22 -0.33 1.77 -0.65 1.20 0.00 0.00 173.24 175.45 3llq h PRO 124 N 6.94 0.23 -0.25 5.44 0.11 -1.77 0.10 132.00 142.80 3llq h PRO 124 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3llq h PRO 124 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3llq h PRO 124 CO 0.80 0.15 0.00 0.41 -0.21 0.00 0.00 178.00 179.15 3llq n GLY 125 N -1.58 1.61 2.07 -0.55 0.00 -0.20 -4.97 105.19 101.58 3llq n GLY 125 Ca 0.26 -0.40 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 3llq n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3llq n GLY 126 N 0.68 0.44 3.80 -0.02 0.00 0.35 -5.01 105.19 105.43 3llq n GLY 126 Ca 0.11 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 3llq n GLY 126 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3llq s TYR 127 N -2.13 3.34 0.80 1.61 2.02 -1.26 -4.82 117.35 116.92 3llq s TYR 127 Ca 0.00 1.65 -0.11 0.00 -0.37 0.00 0.00 57.07 58.24 3llq s TYR 127 Cb 0.00 -2.93 0.07 0.00 -0.40 0.00 0.00 41.96 38.70 3llq s TYR 127 CO 0.00 -0.20 1.09 -1.54 -1.57 0.00 0.00 175.55 173.33 3llq s SER 128 N -1.96 4.33 0.29 2.29 1.04 -1.26 -0.77 113.70 117.66 3llq s SER 128 Ca 0.60 1.63 0.03 0.00 0.48 0.00 0.00 55.95 58.68 3llq s SER 128 Cb -0.14 -2.35 0.72 0.00 0.10 0.00 0.00 66.02 64.35 3llq s SER 128 CO 0.18 -2.11 1.66 0.25 0.98 0.00 0.00 173.24 174.20 3llq h LEU 129 N -1.19 0.12 -0.45 2.42 6.46 -1.95 -0.50 115.31 120.23 3llq h LEU 129 Ca -0.46 0.18 -0.08 0.00 -0.12 0.00 0.00 57.88 57.40 3llq h LEU 129 Cb 1.25 0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 41.38 3llq h LEU 129 CO 0.54 -0.11 -0.03 0.58 -0.62 0.00 0.00 178.44 178.80 3llq h VAL 130 N 0.27 1.27 -0.54 1.05 2.07 -1.99 -0.12 116.25 118.25 3llq h VAL 130 Ca 0.56 -1.10 0.07 0.00 0.82 0.00 0.00 66.70 67.05 3llq h VAL 130 Cb 1.10 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 3llq h VAL 130 CO -0.61 0.38 0.21 0.28 0.02 0.00 0.00 177.57 177.85 3llq h SER 131 N 0.65 0.23 -0.48 0.57 0.02 -1.67 -1.72 113.55 111.16 3llq h SER 131 Ca 0.12 0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.16 3llq h SER 131 Cb 0.54 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 3llq h SER 131 CO 0.03 0.16 0.27 0.00 -1.14 0.00 0.00 176.83 176.15 3llq h ALA 132 N 1.35 0.61 -0.05 3.77 0.00 -0.73 -2.01 119.26 122.19 3llq h ALA 132 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3llq h ALA 132 Cb 0.27 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3llq h ALA 132 CO -0.25 -0.05 0.03 1.25 0.00 0.00 0.00 179.25 180.23 3llq h LEU 133 N 0.54 0.06 -0.37 0.00 5.85 -0.81 -1.82 115.31 118.75 3llq h LEU 133 Ca 0.20 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 3llq h LEU 133 Cb 0.05 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3llq h LEU 133 CO -0.10 0.05 0.00 -0.07 -0.34 0.00 0.00 178.44 177.99 3llq h LEU 134 N 0.06 0.64 -0.43 2.25 3.38 -1.11 -2.54 115.31 117.56 3llq h LEU 134 Ca 0.02 -0.30 -0.18 0.00 0.09 0.00 0.00 57.88 57.51 3llq h LEU 134 Cb 0.00 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3llq h LEU 134 CO -0.00 0.79 -0.66 -0.29 0.09 0.00 0.00 178.44 178.36 3llq h ILE 135 N 0.48 1.35 -0.43 1.22 2.10 -1.40 0.04 117.51 120.87 3llq h ILE 135 Ca 0.11 -1.99 -0.11 0.00 1.08 0.00 0.00 64.86 63.94 3llq h ILE 135 Cb 0.46 1.97 -0.02 0.00 -1.09 0.00 0.00 36.82 38.15 3llq h ILE 135 CO 0.02 0.61 -0.19 -0.33 -1.08 0.00 0.00 178.15 177.18 3llq h GLU 136 N 0.35 0.83 0.25 2.19 4.39 -1.29 -1.47 114.58 119.84 3llq h GLU 136 Ca -0.02 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.35 3llq h GLU 136 Cb 1.23 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3llq h GLU 136 CO 0.12 0.95 -0.12 0.82 -1.16 0.00 0.00 179.01 179.62 3llq h ILE 137 N 0.73 0.80 0.45 3.13 2.04 -1.34 -2.08 117.51 121.24 3llq h ILE 137 Ca 0.11 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3llq h ILE 137 Cb 0.70 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 3llq h ILE 137 CO 0.05 0.10 -0.46 0.40 0.00 0.00 0.00 178.15 178.25 3llq h ILE 138 N -0.58 0.10 -1.00 -0.67 2.04 -0.96 -1.35 117.51 115.07 3llq h ILE 138 Ca -0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.87 3llq h ILE 138 Cb 0.42 0.10 -0.06 0.00 -0.74 0.00 0.00 36.82 36.54 3llq h ILE 138 CO 0.06 0.00 0.65 -0.07 0.00 0.00 0.00 178.15 178.79 3llq h LEU 139 N -0.92 1.08 -0.62 1.44 3.38 -1.39 -1.78 115.31 116.51 3llq h LEU 139 Ca -0.05 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 3llq h LEU 139 Cb 0.81 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3llq h LEU 139 CO -0.07 0.73 -0.40 0.74 0.09 0.00 0.00 178.44 179.53 3llq h THR 140 N 1.25 1.29 -0.17 0.22 2.02 -1.31 -0.91 112.91 115.30 3llq h THR 140 Ca 0.41 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 66.02 3llq h THR 140 Cb 0.03 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 3llq h THR 140 CO -0.14 0.50 0.11 0.00 0.37 0.00 0.00 175.52 176.36 3llq h ALA 141 N 1.04 0.21 -0.15 6.16 0.00 -0.61 -1.72 119.26 124.20 3llq h ALA 141 Ca 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3llq h ALA 141 Cb 0.92 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3llq h ALA 141 CO 0.08 -0.29 -0.07 0.74 0.00 0.00 0.00 179.25 179.71 3llq h PHE 142 N 0.21 0.22 -0.56 0.00 -1.00 -1.27 -1.06 116.94 113.48 3llq h PHE 142 Ca 0.06 -0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.82 3llq h PHE 142 Cb 0.00 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 39.47 3llq h PHE 142 CO -0.06 0.30 0.35 0.35 -1.61 0.00 0.00 178.31 177.65 3llq h PHE 143 N 0.22 0.73 -0.35 -0.55 3.57 -0.52 -0.43 116.94 119.61 3llq h PHE 143 Ca 0.05 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.40 3llq h PHE 143 Cb 0.27 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 3llq h PHE 143 CO 0.00 0.49 -0.37 -0.07 -2.23 0.00 0.00 178.31 176.13 3llq h LEU 144 N 0.76 0.93 -0.08 0.59 4.07 -0.84 -0.59 115.31 120.16 3llq h LEU 144 Ca 0.20 -0.47 0.04 0.00 0.08 0.00 0.00 57.88 57.73 3llq h LEU 144 Cb -0.04 -0.26 -0.05 0.00 1.08 0.00 0.00 40.66 41.39 3llq h LEU 144 CO -0.04 1.22 -0.23 0.40 -1.08 0.00 0.00 178.44 178.70 3llq h ILE 145 N 0.67 0.45 -0.40 1.22 1.08 -0.73 0.35 117.51 120.14 3llq h ILE 145 Ca 0.05 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.59 3llq h ILE 145 Cb 0.96 0.45 -0.06 0.00 -3.07 0.00 0.00 36.82 35.10 3llq h ILE 145 CO 0.09 0.00 0.06 0.58 -0.69 0.00 0.00 178.15 178.19 3llq h VAL 146 N -0.32 0.77 0.25 1.67 2.07 -0.91 0.62 116.25 120.40 3llq h VAL 146 Ca 0.08 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3llq h VAL 146 Cb 0.44 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3llq h VAL 146 CO -0.26 0.03 -0.12 0.40 0.02 0.00 0.00 177.57 177.64 3llq h ILE 147 N 0.19 0.78 -0.03 4.57 2.04 -0.76 0.12 117.51 124.41 3llq h ILE 147 Ca 0.19 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 3llq h ILE 147 Cb 0.24 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3llq h ILE 147 CO -0.27 0.02 0.01 -0.07 0.00 0.00 0.00 178.15 177.85 3llq h LEU 148 N -0.38 0.04 -0.28 1.44 3.38 -0.06 -2.14 115.31 117.31 3llq h LEU 148 Ca -0.03 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.82 3llq h LEU 148 Cb 0.29 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 3llq h LEU 148 CO 0.06 0.20 -0.03 1.23 0.09 0.00 0.00 178.44 179.98 3llq h GLY 149 N -0.11 0.24 2.00 0.83 0.00 0.24 -2.48 103.07 103.79 3llq h GLY 149 Ca 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 3llq h GLY 149 CO -0.00 -0.08 -0.06 1.48 0.00 0.00 0.00 176.54 177.87 3llq h SER 150 N 0.04 0.00 -0.50 0.19 4.64 -0.71 -2.35 113.55 114.85 3llq h SER 150 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3llq h SER 150 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3llq h SER 150 CO -0.26 0.06 0.00 0.35 -0.87 0.00 0.00 176.83 176.11 3llq n THR 151 N -3.13 0.66 -1.67 2.95 -2.24 -0.81 -4.32 114.28 105.73 3llq n THR 151 Ca 0.03 -0.76 -0.32 0.00 -2.27 0.00 0.00 64.05 60.72 3llq n THR 151 Cb 0.50 0.61 0.05 0.00 -2.10 0.00 0.00 70.33 69.39 3llq n THR 151 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3llq s HIS 152 N -1.34 2.67 0.29 4.78 2.46 -0.89 -4.90 115.29 118.37 3llq s HIS 152 Ca 0.40 1.54 0.37 0.00 0.47 0.00 0.00 55.06 57.85 3llq s HIS 152 Cb 0.22 -3.12 1.81 0.00 -0.13 0.00 0.00 32.58 31.36 3llq s HIS 152 CO 0.30 -1.64 2.12 0.78 -2.47 0.00 0.00 174.74 173.83 3llq h GLY 153 N -0.20 0.00 1.85 1.59 0.00 -1.92 -1.03 103.07 103.36 3llq h GLY 153 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3llq h GLY 153 CO 0.54 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 176.12 3llq n ARG 154 N -2.97 0.12 -4.19 4.80 1.85 -1.26 -4.63 116.66 110.38 3llq n ARG 154 Ca -0.01 0.07 -0.34 0.00 -1.00 0.00 0.00 57.85 56.57 3llq n ARG 154 Cb 0.18 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 29.98 3llq n ARG 154 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3llq s VAL 155 N -2.85 4.33 0.49 8.89 1.01 -0.39 -5.07 120.40 126.81 3llq s VAL 155 Ca 0.16 -0.20 -0.24 0.00 0.00 0.00 0.00 61.98 61.70 3llq s VAL 155 Cb 0.16 -2.93 -0.07 0.00 0.00 0.00 0.00 36.38 33.54 3llq s VAL 155 CO 0.42 0.47 1.38 -2.84 0.00 0.00 0.00 175.10 174.54 3llq s PRO 156 N 0.39 3.48 0.49 2.72 0.02 -1.26 -4.78 135.00 136.05 3llq s PRO 156 Ca -0.00 2.30 -0.24 0.00 0.02 0.00 0.00 61.00 63.08 3llq s PRO 156 Cb -0.13 -2.49 -0.07 0.00 0.02 0.00 0.00 34.50 31.83 3llq s PRO 156 CO 0.02 -0.94 1.39 0.00 -0.33 0.00 0.00 177.00 177.13 3llq s ALA 157 N -1.26 3.05 0.00 -1.55 0.00 -1.26 -3.70 121.76 117.04 3llq s ALA 157 Ca 0.65 1.39 0.00 0.00 0.00 0.00 0.00 51.96 54.00 3llq s ALA 157 Cb -0.41 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.14 3llq s ALA 157 CO 0.51 -1.24 0.00 0.41 0.00 0.00 0.00 175.76 175.44 3llq n GLY 158 N 0.64 3.11 0.14 0.00 0.00 -1.26 -4.91 105.19 102.91 3llq n GLY 158 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 3llq n GLY 158 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3llq h PHE 159 N 0.00 0.00 -0.95 1.61 0.04 -1.91 -3.39 116.94 112.34 3llq h PHE 159 Ca 0.00 0.00 0.19 0.00 2.80 0.00 0.00 57.97 60.96 3llq h PHE 159 Cb 0.00 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.07 3llq h PHE 159 CO 0.00 0.20 0.61 0.00 -0.60 0.00 0.00 178.31 178.52 3llq h ALA 160 N 1.80 1.92 -0.49 2.45 0.00 -1.83 -1.13 119.26 121.97 3llq h ALA 160 Ca -0.03 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3llq h ALA 160 Cb 1.18 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3llq h ALA 160 CO 0.02 -0.23 0.18 -1.35 0.00 0.00 0.00 179.25 177.87 3llq h PRO 161 N 0.62 0.71 -0.15 0.00 0.11 -1.91 0.46 132.00 131.84 3llq h PRO 161 Ca 0.51 -0.11 -0.03 0.00 0.11 0.00 0.00 66.00 66.49 3llq h PRO 161 Cb 0.98 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 3llq h PRO 161 CO -0.26 0.60 -0.02 0.82 -0.21 0.00 0.00 178.00 178.93 3llq h ILE 162 N 0.71 1.27 0.05 4.15 2.04 -1.50 -0.29 117.51 123.94 3llq h ILE 162 Ca 0.17 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 65.12 3llq h ILE 162 Cb 0.17 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 3llq h ILE 162 CO -0.01 0.27 -0.10 0.00 0.00 0.00 0.00 178.15 178.31 3llq h ALA 163 N 0.73 -0.15 0.02 1.87 0.00 -0.96 -1.68 119.26 119.09 3llq h ALA 163 Ca 0.04 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 3llq h ALA 163 Cb 0.42 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.38 3llq h ALA 163 CO 0.01 -0.60 -1.04 0.82 0.00 0.00 0.00 179.25 178.44 3llq h ILE 164 N -0.19 1.33 0.35 0.00 2.04 -0.10 -1.01 117.51 119.93 3llq h ILE 164 Ca 0.02 -2.37 -0.01 0.00 1.00 0.00 0.00 64.86 63.51 3llq h ILE 164 Cb 0.21 2.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 3llq h ILE 164 CO -0.06 0.72 -0.29 1.23 0.00 0.00 0.00 178.15 179.75 3llq h GLY 165 N 0.73 -0.69 2.00 5.37 0.00 -1.08 -1.65 103.07 107.75 3llq h GLY 165 Ca -0.12 0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 3llq h GLY 165 CO 0.19 -0.26 -0.13 1.41 0.00 0.00 0.00 176.54 177.75 3llq h LEU 166 N -0.64 0.00 -0.99 3.11 3.38 -1.36 -0.76 115.31 118.04 3llq h LEU 166 Ca -0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3llq h LEU 166 Cb 0.56 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3llq h LEU 166 CO -0.02 0.13 -0.08 0.00 0.09 0.00 0.00 178.44 178.55 3llq h ALA 167 N 1.87 1.16 -0.27 1.53 0.00 -0.83 -1.55 119.26 121.17 3llq h ALA 167 Ca -0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 3llq h ALA 167 Cb 0.51 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3llq h ALA 167 CO 0.02 0.54 -0.22 1.25 0.00 0.00 0.00 179.25 180.83 3llq h LEU 168 N 0.58 0.51 -0.15 0.00 5.85 -0.20 0.60 115.31 122.50 3llq h LEU 168 Ca 0.11 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 3llq h LEU 168 Cb 0.50 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3llq h LEU 168 CO 0.03 0.73 0.03 0.74 -0.34 0.00 0.00 178.44 179.63 3llq h THR 169 N 0.45 1.21 -0.65 1.05 2.02 -1.07 -2.21 112.91 113.71 3llq h THR 169 Ca 0.07 -0.65 0.08 0.00 0.77 0.00 0.00 66.41 66.67 3llq h THR 169 Cb 0.63 1.36 -0.06 0.00 -1.74 0.00 0.00 68.15 68.34 3llq h THR 169 CO 0.05 0.20 0.32 0.25 0.37 0.00 0.00 175.52 176.70 3llq h LEU 170 N 0.03 0.42 -1.18 2.58 5.85 -0.95 -0.46 115.31 121.60 3llq h LEU 170 Ca 0.05 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.85 3llq h LEU 170 Cb 0.27 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 3llq h LEU 170 CO 0.00 0.26 0.56 0.40 -0.34 0.00 0.00 178.44 179.32 3llq h ILE 171 N 0.57 1.14 -0.25 4.05 1.08 -0.50 -1.56 117.51 122.04 3llq h ILE 171 Ca 0.31 -0.37 -0.18 0.00 -0.39 0.00 0.00 64.86 64.23 3llq h ILE 171 Cb 0.29 -0.02 -0.00 0.00 -3.07 0.00 0.00 36.82 34.02 3llq h ILE 171 CO -0.24 0.19 -0.56 0.45 -0.69 0.00 0.00 178.15 177.31 3llq h HIS 172 N 1.07 0.96 -0.26 1.37 3.86 -0.70 -1.59 115.15 119.86 3llq h HIS 172 Ca 0.34 -0.34 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 3llq h HIS 172 Cb 0.03 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 3llq h HIS 172 CO -0.00 1.14 0.17 -0.07 0.86 0.00 0.00 177.93 180.04 3llq h LEU 173 N 0.58 0.24 0.04 2.43 3.38 -0.20 -2.42 115.31 119.36 3llq h LEU 173 Ca 0.01 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3llq h LEU 173 Cb 1.15 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.85 3llq h LEU 173 CO 0.12 0.17 -0.47 0.40 0.09 0.00 0.00 178.44 178.74 3llq h ILE 174 N 0.28 1.54 -0.03 1.22 2.04 -1.12 -3.43 117.51 118.01 3llq h ILE 174 Ca 0.10 -2.21 0.00 0.00 1.00 0.00 0.00 64.86 63.75 3llq h ILE 174 Cb 0.08 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.11 3llq h ILE 174 CO -0.02 0.62 0.00 -1.54 0.00 0.00 0.00 178.15 177.21 3llq n SER 175 N -4.34 1.55 -0.35 1.72 3.41 -0.62 -4.62 113.62 110.38 3llq n SER 175 Ca -0.11 -1.31 0.04 0.00 -0.26 0.00 0.00 58.87 57.23 3llq n SER 175 Cb 0.64 -0.01 0.21 0.00 -0.26 0.00 0.00 64.21 64.78 3llq n SER 175 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3llq h ILE 176 N 0.97 1.06 0.00 -1.33 2.04 -1.67 0.12 117.51 118.70 3llq h ILE 176 Ca 0.00 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 3llq h ILE 176 Cb 0.26 -0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.19 3llq h ILE 176 CO 0.00 0.20 -0.02 -0.65 0.00 0.00 0.00 178.15 177.68 3llq h PRO 177 N 1.11 0.00 0.02 2.37 0.11 -1.86 0.89 132.00 134.63 3llq h PRO 177 Ca 0.43 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 66.25 3llq h PRO 177 Cb 0.23 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.30 3llq h PRO 177 CO -0.18 0.02 -1.60 0.28 -0.21 0.00 0.00 178.00 176.31 3llq n VAL 178 N -3.20 1.56 -0.66 3.15 0.31 0.37 -1.03 118.33 118.84 3llq n VAL 178 Ca -0.02 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 3llq n VAL 178 Cb 0.18 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.15 3llq n VAL 178 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3llq n THR 179 N -4.25 0.23 -0.54 2.52 -2.24 -0.93 -4.43 114.28 104.63 3llq n THR 179 Ca -0.36 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3llq n THR 179 Cb 0.77 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 70.09 3llq n THR 179 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3llq n ASN 180 N -0.12 0.00 -1.88 3.42 3.02 0.31 -3.02 115.26 116.99 3llq n ASN 180 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.53 3llq n ASN 180 Cb 0.33 -1.40 -0.01 0.00 -0.61 0.00 0.00 39.78 38.09 3llq n ASN 180 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3llq n THR 181 N -2.00 -8.03 0.00 3.41 -1.04 -1.26 -4.76 114.28 100.60 3llq n THR 181 Ca 0.00 1.54 0.00 0.00 -2.04 0.00 0.00 64.05 63.55 3llq n THR 181 Cb 0.00 -4.85 0.00 0.00 -1.82 0.00 0.00 70.33 63.66 3llq n THR 181 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3llq n SER 182 N 0.91 0.00 -1.92 8.00 2.88 -1.26 -4.92 113.62 117.30 3llq n SER 182 Ca -0.12 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.41 3llq n SER 182 Cb 0.18 -0.44 -0.00 0.00 -0.75 0.00 0.00 64.21 63.20 3llq n SER 182 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3llq n VAL 183 N -2.37 -0.04 -3.15 2.46 0.24 -1.26 -4.84 118.33 109.37 3llq n VAL 183 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.35 3llq n VAL 183 Cb 0.00 -0.15 -0.00 0.00 -1.47 0.00 0.00 33.84 32.22 3llq n VAL 183 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3llq s ASN 184 N -1.65 -0.94 0.22 -1.34 3.84 -1.26 -4.84 114.94 108.97 3llq s ASN 184 Ca 0.00 0.15 -0.09 0.00 0.21 0.00 0.00 52.86 53.13 3llq s ASN 184 Cb 0.00 1.61 0.18 0.00 -0.55 0.00 0.00 41.25 42.49 3llq s ASN 184 CO 0.00 -0.17 1.87 -0.65 -2.79 0.00 0.00 177.10 175.36 3llq h PRO 185 N 7.62 1.12 -0.79 0.43 0.11 -1.88 -1.42 132.00 137.19 3llq h PRO 185 Ca -0.07 -0.09 0.03 0.00 0.11 0.00 0.00 66.00 65.98 3llq h PRO 185 Cb 1.18 -0.24 -0.05 0.00 0.11 0.00 0.00 31.00 32.00 3llq h PRO 185 CO 0.01 0.78 0.50 0.00 -0.21 0.00 0.00 178.00 179.08 3llq h ALA 186 N 1.28 1.04 0.00 -0.75 0.00 -1.91 -1.51 119.26 117.40 3llq h ALA 186 Ca 0.30 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 3llq h ALA 186 Cb -0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3llq h ALA 186 CO -0.06 0.31 -0.34 -0.09 0.00 0.00 0.00 179.25 179.07 3llq h ARG 187 N 0.98 0.00 0.03 0.00 1.12 -1.64 -2.38 114.38 112.48 3llq h ARG 187 Ca 0.32 0.00 -0.21 0.00 -1.11 0.00 0.00 59.98 58.98 3llq h ARG 187 Cb 0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 29.97 3llq h ARG 187 CO -0.12 0.34 -0.97 0.77 -3.11 0.00 0.00 179.97 176.88 3llq h SER 188 N 0.00 0.19 -0.15 -3.80 0.02 -1.02 -3.38 113.55 105.41 3llq h SER 188 Ca -0.00 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.73 3llq h SER 188 Cb 0.69 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 3llq h SER 188 CO 0.04 1.05 -0.07 0.74 -1.14 0.00 0.00 176.83 177.45 3llq h THR 189 N 0.06 1.31 0.13 -2.27 2.02 -0.74 -2.83 112.91 110.59 3llq h THR 189 Ca -0.05 -1.10 0.01 0.00 0.77 0.00 0.00 66.41 66.04 3llq h THR 189 Cb 1.65 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 69.76 3llq h THR 189 CO 0.14 0.32 -0.19 1.23 0.37 0.00 0.00 175.52 177.39 3llq h GLY 190 N -0.02 -0.36 0.99 2.16 0.00 -1.72 -1.41 103.07 102.71 3llq h GLY 190 Ca 0.03 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3llq h GLY 190 CO 0.02 -0.18 0.06 1.46 0.00 0.00 0.00 176.54 177.90 3llq h GLN 191 N -0.37 0.13 -0.41 4.80 1.08 -1.74 -2.83 115.11 115.76 3llq h GLN 191 Ca 0.02 -0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.31 3llq h GLN 191 Cb 0.38 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 3llq h GLN 191 CO -0.09 0.08 0.29 0.00 -0.95 0.00 0.00 178.83 178.16 3llq h ALA 192 N 1.04 2.26 0.00 3.87 0.00 -1.35 -1.36 119.26 123.71 3llq h ALA 192 Ca 0.04 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3llq h ALA 192 Cb -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3llq h ALA 192 CO -0.01 -0.37 -0.44 -0.07 0.00 0.00 0.00 179.25 178.36 3llq h LEU 193 N 0.10 0.00 0.00 0.00 3.38 -1.00 0.27 115.31 118.06 3llq h LEU 193 Ca 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3llq h LEU 193 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3llq h LEU 193 CO -0.02 0.44 -0.50 -0.26 0.09 0.00 0.00 178.44 178.19 3llq h PHE 194 N 0.00 0.00 0.04 1.13 0.04 -1.21 -3.32 116.94 113.62 3llq h PHE 194 Ca -0.00 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.44 3llq h PHE 194 Cb 0.95 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.05 3llq h PHE 194 CO 0.00 0.14 -1.90 0.28 -0.60 0.00 0.00 178.31 176.23 3llq n VAL 195 N -2.98 1.63 -3.34 -0.55 0.31 -1.00 -5.06 118.33 107.34 3llq n VAL 195 Ca 0.01 -0.75 0.00 0.00 -0.01 0.00 0.00 64.34 63.59 3llq n VAL 195 Cb 0.60 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 3llq n VAL 195 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3llq n GLY 196 N 1.74 0.98 7.00 2.92 0.00 0.07 -4.84 105.19 113.05 3llq n GLY 196 Ca -0.24 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3llq n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3llq n GLY 197 N 0.00 2.52 0.36 -0.02 0.00 -1.26 -1.97 105.19 104.82 3llq n GLY 197 Ca 0.00 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 45.95 3llq n GLY 197 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3llq h TRP 198 N 0.00 0.74 -0.56 1.61 5.08 -1.98 -1.79 115.95 119.05 3llq h TRP 198 Ca 0.00 0.02 0.07 0.00 1.08 0.00 0.00 58.89 60.06 3llq h TRP 198 Cb 0.00 -0.24 -0.06 0.00 -3.00 0.00 0.00 29.16 25.86 3llq h TRP 198 CO 0.00 0.33 0.24 0.00 -1.28 0.00 0.00 178.44 177.73 3llq h ALA 199 N 1.61 0.71 -0.07 0.11 0.00 -1.72 0.54 119.26 120.44 3llq h ALA 199 Ca 0.37 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.24 3llq h ALA 199 Cb 0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3llq h ALA 199 CO -0.14 -0.14 -0.37 -0.07 0.00 0.00 0.00 179.25 178.53 3llq h LEU 200 N 0.45 0.15 -0.70 0.00 3.38 -1.25 -2.68 115.31 114.67 3llq h LEU 200 Ca 0.26 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.07 3llq h LEU 200 Cb 0.25 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3llq h LEU 200 CO -0.23 0.52 -0.50 1.56 0.09 0.00 0.00 178.44 179.87 3llq h GLN 201 N 0.13 0.00 -0.00 1.13 4.20 -0.60 -2.87 115.11 117.10 3llq h GLN 201 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3llq h GLN 201 Cb 0.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.50 3llq h GLN 201 CO 0.05 0.50 -0.60 1.04 -0.67 0.00 0.00 178.83 179.16 3llq n GLN 202 N -3.55 0.22 0.12 1.46 6.02 0.03 -4.48 117.38 117.20 3llq n GLN 202 Ca -0.00 -0.15 0.12 0.00 -0.01 0.00 0.00 57.00 56.95 3llq n GLN 202 Cb 0.60 -1.50 0.62 0.00 1.02 0.00 0.00 30.24 30.98 3llq n GLN 202 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3llq h LEU 203 N 0.37 0.09 -1.04 1.08 5.85 -1.24 -1.90 115.31 118.53 3llq h LEU 203 Ca 0.00 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.79 3llq h LEU 203 Cb 0.52 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.46 3llq h LEU 203 CO 0.00 0.06 0.64 4.11 -0.34 0.00 0.00 178.44 182.91 3llq h TRP 204 N 0.11 1.17 -0.38 1.25 5.08 -1.79 -1.40 115.95 119.98 3llq h TRP 204 Ca 0.12 0.03 0.06 0.00 1.08 0.00 0.00 58.89 60.19 3llq h TRP 204 Cb 0.35 -0.38 -0.02 0.00 -3.00 0.00 0.00 29.16 26.11 3llq h TRP 204 CO -0.00 0.59 0.26 1.25 -1.28 0.00 0.00 178.44 179.26 3llq h LEU 205 N 1.13 0.22 -1.43 0.11 5.85 -1.68 0.21 115.31 119.71 3llq h LEU 205 Ca 0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.15 3llq h LEU 205 Cb 0.22 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3llq h LEU 205 CO -0.18 0.14 0.00 0.49 -0.34 0.00 0.00 178.44 178.55 3llq n PHE 206 N -4.47 0.11 -0.12 1.25 3.72 -0.54 -1.26 117.46 116.14 3llq n PHE 206 Ca 0.05 -0.05 -0.24 0.00 -0.05 0.00 0.00 57.45 57.15 3llq n PHE 206 Cb 0.28 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.73 3llq n PHE 206 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 3llq n TRP 207 N 0.70 0.27 0.14 1.38 7.02 -0.91 -3.59 117.44 122.45 3llq n TRP 207 Ca 0.17 0.12 -0.14 0.00 -1.02 0.00 0.00 57.50 56.63 3llq n TRP 207 Cb 0.45 -0.95 -0.08 0.00 -2.42 0.00 0.00 31.31 28.31 3llq n TRP 207 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 3llq h LEU 208 N -1.00 -0.25 -0.41 -0.99 5.85 -0.96 -2.86 115.31 114.68 3llq h LEU 208 Ca -0.50 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.09 3llq h LEU 208 Cb 1.42 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 3llq h LEU 208 CO -0.31 -0.11 -0.03 0.00 -0.34 0.00 0.00 178.44 177.65 3llq h ALA 209 N 0.38 0.56 -0.27 1.25 0.00 -1.41 -2.23 119.26 117.54 3llq h ALA 209 Ca -0.03 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3llq h ALA 209 Cb 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3llq h ALA 209 CO 0.05 0.38 -0.21 -1.35 0.00 0.00 0.00 179.25 178.11 3llq h PRO 210 N 0.58 0.50 -0.35 0.00 0.11 -1.78 -0.77 132.00 130.31 3llq h PRO 210 Ca 0.11 -0.18 -0.14 0.00 0.11 0.00 0.00 66.00 65.91 3llq h PRO 210 Cb 0.53 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 3llq h PRO 210 CO 0.03 0.69 -0.34 0.82 -0.21 0.00 0.00 178.00 178.99 3llq h ILE 211 N 0.45 1.28 -0.38 4.15 2.04 -1.40 0.41 117.51 124.06 3llq h ILE 211 Ca 0.07 -1.50 -0.15 0.00 1.00 0.00 0.00 64.86 64.29 3llq h ILE 211 Cb 0.62 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3llq h ILE 211 CO 0.04 0.49 -0.35 0.58 0.00 0.00 0.00 178.15 178.91 3llq h VAL 212 N 0.65 1.28 -0.23 1.67 2.07 -1.34 -1.64 116.25 118.70 3llq h VAL 212 Ca 0.07 -1.52 -0.04 0.00 0.82 0.00 0.00 66.70 66.02 3llq h VAL 212 Cb 0.88 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 3llq h VAL 212 CO 0.08 0.51 -0.02 1.23 0.02 0.00 0.00 177.57 179.38 3llq h GLY 213 N 0.85 0.46 1.00 2.17 0.00 -0.85 -0.36 103.07 106.34 3llq h GLY 213 Ca 0.07 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3llq h GLY 213 CO 0.09 0.32 0.31 -1.33 0.00 0.00 0.00 176.54 175.93 3llq h GLY 214 N 0.18 0.98 0.91 4.60 0.00 -0.20 -0.28 103.07 109.26 3llq h GLY 214 Ca 0.06 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 3llq h GLY 214 CO 0.02 0.46 0.07 0.00 0.00 0.00 0.00 176.54 177.08 3llq h ALA 215 N 1.14 0.46 -0.68 3.60 0.00 -1.27 -2.48 119.26 120.03 3llq h ALA 215 Ca 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3llq h ALA 215 Cb 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3llq h ALA 215 CO -0.03 0.15 0.40 0.00 0.00 0.00 0.00 179.25 179.77 3llq h ALA 216 N 0.91 0.87 -0.51 0.00 0.00 -0.68 -1.84 119.26 118.00 3llq h ALA 216 Ca 0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3llq h ALA 216 Cb 0.33 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3llq h ALA 216 CO 0.00 0.35 0.14 0.78 0.00 0.00 0.00 179.25 180.52 3llq h GLY 217 N 0.93 0.83 1.00 0.00 0.00 -1.03 -1.20 103.07 103.61 3llq h GLY 217 Ca 0.24 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3llq h GLY 217 CO -0.04 0.44 0.43 0.00 0.00 0.00 0.00 176.54 177.36 3llq h ALA 218 N 1.40 0.85 -0.31 3.60 0.00 -1.06 0.06 119.26 123.80 3llq h ALA 218 Ca 0.17 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3llq h ALA 218 Cb 0.26 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3llq h ALA 218 CO -0.00 0.30 -0.26 0.28 0.00 0.00 0.00 179.25 179.57 3llq h VAL 219 N 0.91 1.30 -0.50 0.00 2.07 -1.03 -1.27 116.25 117.73 3llq h VAL 219 Ca 0.24 -1.41 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 3llq h VAL 219 Cb -0.07 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3llq h VAL 219 CO -0.05 0.46 0.20 0.40 0.02 0.00 0.00 177.57 178.59 3llq h ILE 220 N 0.48 1.21 -0.76 4.57 2.04 -1.14 -2.42 117.51 121.48 3llq h ILE 220 Ca 0.06 -0.66 0.03 0.00 1.00 0.00 0.00 64.86 65.28 3llq h ILE 220 Cb 0.82 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 3llq h ILE 220 CO 0.07 0.25 0.48 -0.25 0.00 0.00 0.00 178.15 178.70 3llq h TRP 221 N 0.67 0.90 -0.46 1.37 2.91 -0.84 -2.47 115.95 118.03 3llq h TRP 221 Ca 0.17 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.17 3llq h TRP 221 Cb 0.20 -0.30 -0.02 0.00 -0.51 0.00 0.00 29.16 28.53 3llq h TRP 221 CO 0.01 0.51 0.11 0.87 -1.03 0.00 0.00 178.44 178.90 3llq h LYS 222 N 0.94 0.69 0.00 2.65 1.57 -0.77 0.51 116.57 122.16 3llq h LYS 222 Ca 0.31 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.89 3llq h LYS 222 Cb 0.02 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3llq h LYS 222 CO -0.12 0.63 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.01 3llq h LEU 223 N 0.67 0.00 0.00 2.94 4.07 -1.04 -3.40 115.31 118.56 3llq h LEU 223 Ca 0.15 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.11 3llq h LEU 223 Cb 0.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.00 3llq h LEU 223 CO -0.00 0.32 -0.02 2.22 -1.08 0.00 0.00 178.44 179.88 3llq n PHE 224 N -3.98 0.00 -0.06 1.13 1.16 -0.89 -4.96 117.46 109.86 3llq n PHE 224 Ca -0.02 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.48 3llq n PHE 224 Cb 0.38 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.19 3llq n PHE 224 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3llq n GLY 225 N 0.08 -0.22 0.19 4.97 0.00 0.17 -4.78 105.19 105.61 3llq n GLY 225 Ca 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 3llq n GLY 225 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3llq h GLU 226 N 0.00 0.35 -7.02 1.61 4.57 -1.64 -3.45 114.58 109.00 3llq h GLU 226 Ca -0.28 -0.22 -0.50 0.00 -1.18 0.00 0.00 59.36 57.18 3llq h GLU 226 Cb 1.46 0.02 0.06 0.00 -0.16 0.00 0.00 28.75 30.14 3llq h GLU 226 CO -0.04 0.80 0.47 0.15 -1.18 0.00 0.00 179.01 179.21 3llq s LYS 227 N -3.93 3.69 0.00 1.92 1.02 -1.26 -5.07 119.74 116.11 3llq s LYS 227 Ca -0.05 1.71 0.13 0.00 0.02 0.00 0.00 55.97 57.79 3llq s LYS 227 Cb 0.12 -2.31 0.80 0.00 -0.52 0.00 0.00 37.83 35.92 3llq s LYS 227 CO 0.81 -0.59 1.23 -0.25 -0.92 0.00 0.00 175.35 175.62