#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a7m h SER 3 N 0.00 0.00 0.70 3.42 0.02 -2.02 -2.77 113.55 112.91 3a7m h SER 3 Ca 0.00 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 3a7m h SER 3 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3a7m h SER 3 CO 0.00 0.00 -1.28 0.71 -1.14 0.00 0.00 176.83 175.12 3a7m h THR 4 N 0.00 1.42 0.00 -2.27 1.35 -1.98 -2.07 112.91 109.37 3a7m h THR 4 Ca 0.00 -3.09 -0.22 0.00 -0.55 0.00 0.00 66.41 62.55 3a7m h THR 4 Cb 0.54 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.78 3a7m h THR 4 CO 0.00 0.86 -0.94 -0.37 -0.25 0.00 0.00 175.52 174.82 3a7m h VAL 5 N 0.04 1.41 -0.84 6.82 -1.51 -1.98 -2.13 116.25 118.07 3a7m h VAL 5 Ca -0.13 -2.48 0.01 0.00 -1.23 0.00 0.00 66.70 62.86 3a7m h VAL 5 Cb 1.92 2.44 -0.04 0.00 -2.13 0.00 0.00 31.29 33.47 3a7m h VAL 5 CO 0.15 0.74 0.56 -0.33 -1.23 0.00 0.00 177.57 177.46 3a7m h GLU 6 N 0.21 1.10 0.79 5.19 4.39 -1.53 0.48 114.58 125.21 3a7m h GLU 6 Ca -0.08 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.52 3a7m h GLU 6 Cb 1.58 -0.25 0.01 0.00 -0.10 0.00 0.00 28.75 29.99 3a7m h GLU 6 CO 0.16 0.73 -0.38 0.35 -1.16 0.00 0.00 179.01 178.71 3a7m h PHE 7 N 1.13 -0.99 -0.18 4.33 3.57 -1.25 -1.88 116.94 121.68 3a7m h PHE 7 Ca 0.31 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.83 3a7m h PHE 7 Cb -0.13 0.33 -0.07 0.00 2.79 0.00 0.00 35.95 38.87 3a7m h PHE 7 CO -0.00 -0.61 -0.45 0.82 -2.23 0.00 0.00 178.31 175.84 3a7m h ILE 8 N -1.29 0.11 -0.78 1.41 2.04 -1.00 -2.33 117.51 115.66 3a7m h ILE 8 Ca -0.11 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.91 3a7m h ILE 8 Cb 0.82 0.11 -0.10 0.00 -0.74 0.00 0.00 36.82 36.90 3a7m h ILE 8 CO 0.18 0.00 0.30 -1.13 0.00 0.00 0.00 178.15 177.50 3a7m h ASN 9 N -0.49 0.25 -0.60 1.72 -0.73 -0.10 0.92 115.58 116.55 3a7m h ASN 9 Ca 0.08 0.12 0.10 0.00 1.87 0.00 0.00 56.30 58.47 3a7m h ASN 9 Cb 0.63 0.11 -0.07 0.00 0.27 0.00 0.00 38.32 39.26 3a7m h ASN 9 CO -0.44 0.07 0.20 0.03 -0.37 0.00 0.00 177.43 176.92 3a7m h ARG 10 N 0.41 0.36 0.00 6.67 3.08 -0.78 0.23 114.38 124.36 3a7m h ARG 10 Ca 0.44 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.43 3a7m h ARG 10 Cb 0.71 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 3a7m h ARG 10 CO -0.44 0.24 -0.20 -1.49 -1.07 0.00 0.00 179.97 177.00 3a7m h TRP 11 N 0.37 0.00 -0.41 3.04 4.06 -0.98 -2.62 115.95 119.40 3a7m h TRP 11 Ca 0.31 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 61.12 3a7m h TRP 11 Cb 0.40 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.55 3a7m h TRP 11 CO -0.18 0.20 -0.28 1.96 -3.56 0.00 0.00 178.44 176.57 3a7m h GLN 12 N 0.00 0.92 -0.69 0.49 4.20 0.10 -1.81 115.11 118.32 3a7m h GLN 12 Ca -0.00 -0.44 0.01 0.00 0.06 0.00 0.00 58.65 58.28 3a7m h GLN 12 Cb 0.97 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.71 3a7m h GLN 12 CO 0.03 1.09 0.45 -0.09 -0.67 0.00 0.00 178.83 179.64 3a7m h ARG 13 N 0.74 0.90 -0.16 1.46 2.43 -0.28 -1.88 114.38 117.59 3a7m h ARG 13 Ca 0.08 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 3a7m h ARG 13 Cb 0.86 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3a7m h ARG 13 CO 0.08 0.59 -0.24 0.82 -1.51 0.00 0.00 179.97 179.71 3a7m h ILE 14 N 0.92 1.35 -1.02 1.20 2.04 -1.43 -2.73 117.51 117.86 3a7m h ILE 14 Ca 0.25 -1.46 0.24 0.00 1.00 0.00 0.00 64.86 64.89 3a7m h ILE 14 Cb -0.10 1.92 -0.10 0.00 -0.74 0.00 0.00 36.82 37.80 3a7m h ILE 14 CO -0.06 0.44 0.63 0.00 0.00 0.00 0.00 178.15 179.16 3a7m h ALA 15 N 0.58 2.00 0.54 1.87 0.00 -1.08 -0.96 119.26 122.23 3a7m h ALA 15 Ca 0.02 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3a7m h ALA 15 Cb 0.81 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.61 3a7m h ALA 15 CO 0.06 -0.42 -0.26 -0.07 0.00 0.00 0.00 179.25 178.56 3a7m h LEU 16 N 0.51 -0.62 -1.57 0.00 3.38 -1.17 -2.93 115.31 112.92 3a7m h LEU 16 Ca 0.60 -0.04 0.26 0.00 0.09 0.00 0.00 57.88 58.79 3a7m h LEU 16 Cb 1.30 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 42.14 3a7m h LEU 16 CO -0.36 -0.24 0.68 -0.07 0.09 0.00 0.00 178.44 178.55 3a7m h LEU 17 N -1.07 0.32 -0.17 1.67 3.38 -0.94 0.47 115.31 118.96 3a7m h LEU 17 Ca -0.07 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3a7m h LEU 17 Cb 0.62 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3a7m h LEU 17 CO 0.12 0.08 0.01 0.77 0.09 0.00 0.00 178.44 179.51 3a7m h SER 18 N 0.29 0.27 0.37 -0.43 4.64 -1.21 -1.81 113.55 115.67 3a7m h SER 18 Ca 0.54 -0.29 -0.04 0.00 -0.47 0.00 0.00 61.79 61.54 3a7m h SER 18 Cb 1.58 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.59 3a7m h SER 18 CO -0.19 0.49 -0.20 -0.61 -0.87 0.00 0.00 176.83 175.45 3a7m h GLN 19 N 0.05 0.00 0.35 4.77 5.75 -0.37 -2.52 115.11 123.14 3a7m h GLN 19 Ca 0.05 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.53 3a7m h GLN 19 Cb 0.34 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.90 3a7m h GLN 19 CO 0.01 0.20 -0.17 1.03 -2.65 0.00 0.00 178.83 177.25 3a7m h SER 20 N 0.00 -0.40 0.45 -0.69 0.87 0.54 -3.15 113.55 111.17 3a7m h SER 20 Ca -0.00 -0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.42 3a7m h SER 20 Cb 0.44 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 3a7m h SER 20 CO 0.03 -0.19 -0.39 -0.07 -0.53 0.00 0.00 176.83 175.68 3a7m h LEU 21 N -0.59 0.00 -1.65 2.23 3.38 -1.23 -2.05 115.31 115.40 3a7m h LEU 21 Ca -0.05 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.02 3a7m h LEU 21 Cb 0.43 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3a7m h LEU 21 CO 0.08 0.39 0.40 0.25 0.09 0.00 0.00 178.44 179.65 3a7m h LEU 22 N 0.00 0.35 0.00 1.67 6.46 -1.42 -1.73 115.31 120.65 3a7m h LEU 22 Ca -0.00 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.76 3a7m h LEU 22 Cb 0.71 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.58 3a7m h LEU 22 CO 0.05 0.21 -0.02 -0.33 -0.62 0.00 0.00 178.44 177.73 3a7m h GLU 23 N 0.39 0.01 0.00 1.25 5.08 -1.36 -0.08 114.58 119.88 3a7m h GLU 23 Ca 0.28 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3a7m h GLU 23 Cb 0.57 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3a7m h GLU 23 CO -0.08 0.93 0.38 1.28 -1.00 0.00 0.00 179.01 180.52 3a7m n LEU 24 N -4.63 0.08 -0.03 1.33 4.77 -0.69 -0.60 117.00 117.22 3a7m n LEU 24 Ca -0.10 0.28 -0.04 0.00 -0.03 0.00 0.00 56.01 56.12 3a7m n LEU 24 Cb 0.46 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 3a7m n LEU 24 CO 0.34 -0.30 -0.69 0.00 -1.33 0.00 0.00 177.39 175.41 3a7m n ALA 25 N -1.28 1.88 0.01 -1.18 0.00 -0.95 -0.19 120.51 118.80 3a7m n ALA 25 Ca -0.00 -0.25 0.08 0.00 0.00 0.00 0.00 53.44 53.27 3a7m n ALA 25 Cb 0.38 0.37 0.50 0.00 0.00 0.00 0.00 19.45 20.69 3a7m n ALA 25 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3a7m h GLN 26 N -0.00 0.38 0.12 0.00 4.20 0.10 -2.66 115.11 117.26 3a7m h GLN 26 Ca -0.13 -0.02 -0.33 0.00 0.06 0.00 0.00 58.65 58.23 3a7m h GLN 26 Cb 1.20 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.89 3a7m h GLN 26 CO -0.02 0.25 -1.73 0.00 -0.67 0.00 0.00 178.83 176.66 3a7m h ARG 27 N 0.39 0.26 0.00 1.46 3.08 -1.10 -3.49 114.38 114.98 3a7m h ARG 27 Ca 0.17 -0.45 0.00 0.00 0.07 0.00 0.00 59.98 59.78 3a7m h ARG 27 Cb 0.20 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3a7m h ARG 27 CO -0.04 1.21 0.00 0.41 -1.07 0.00 0.00 179.97 180.48 3a7m n GLY 28 N 1.85 0.12 3.57 0.04 0.00 -1.00 -5.08 105.19 104.68 3a7m n GLY 28 Ca -0.29 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 3a7m n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a7m s GLU 29 N 0.00 3.41 -0.03 1.61 8.01 0.73 -4.73 118.70 127.70 3a7m s GLU 29 Ca 0.00 -1.16 -0.08 0.00 0.01 0.00 0.00 54.97 53.74 3a7m s GLU 29 Cb 0.00 -5.34 -0.30 0.00 -4.31 0.00 0.00 34.13 24.18 3a7m s GLU 29 CO 0.00 -2.56 0.75 -1.49 0.01 0.00 0.00 175.26 171.97 3a7m h TRP 30 N 9.59 0.64 -0.86 1.61 4.06 -1.95 -2.39 115.95 126.65 3a7m h TRP 30 Ca 0.24 -0.47 0.18 0.00 2.06 0.00 0.00 58.89 60.90 3a7m h TRP 30 Cb 0.97 -0.03 -0.11 0.00 -1.00 0.00 0.00 29.16 29.00 3a7m h TRP 30 CO 1.30 1.57 0.39 -0.44 -3.56 0.00 0.00 178.44 177.70 3a7m h ASP 31 N 0.10 0.39 0.04 -3.49 3.32 -1.92 0.05 116.42 114.91 3a7m h ASP 31 Ca -0.31 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 3a7m h ASP 31 Cb 2.08 0.08 0.00 0.00 0.22 0.00 0.00 39.33 41.71 3a7m h ASP 31 CO 0.18 0.09 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.70 3a7m h LEU 32 N 0.49 -0.05 -0.64 1.55 3.38 -1.93 -3.32 115.31 114.79 3a7m h LEU 32 Ca 0.50 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.67 3a7m h LEU 32 Cb 0.85 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.50 3a7m h LEU 32 CO -0.45 -0.01 0.06 -0.11 0.09 0.00 0.00 178.44 178.02 3a7m n LEU 33 N -2.28 -0.03 -0.16 1.67 7.94 -0.90 0.20 117.00 123.45 3a7m n LEU 33 Ca -0.01 1.08 0.08 0.00 -1.11 0.00 0.00 56.01 56.05 3a7m n LEU 33 Cb 0.02 -0.41 0.39 0.00 0.53 0.00 0.00 43.42 43.95 3a7m n LEU 33 CO 0.02 -1.11 1.21 -0.07 -1.11 0.00 0.00 177.39 176.32 3a7m h LEU 34 N 0.00 0.59 -0.01 -1.96 3.38 -1.10 -1.65 115.31 114.56 3a7m h LEU 34 Ca 0.41 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.36 3a7m h LEU 34 Cb 0.89 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3a7m h LEU 34 CO -0.58 0.37 -0.11 1.56 0.09 0.00 0.00 178.44 179.77 3a7m h GLN 35 N 0.67 0.10 0.00 1.13 4.20 0.22 -3.30 115.11 118.13 3a7m h GLN 35 Ca 0.31 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3a7m h GLN 35 Cb 0.34 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3a7m h GLN 35 CO -0.10 0.78 0.00 1.04 -0.67 0.00 0.00 178.83 179.88 3a7m n GLN 36 N -4.65 0.06 0.00 1.46 6.02 -1.01 -3.13 117.38 116.14 3a7m n GLN 36 Ca -0.09 0.21 -0.17 0.00 -0.01 0.00 0.00 57.00 56.93 3a7m n GLN 36 Cb 0.40 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.06 3a7m n GLN 36 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 3a7m h GLU 37 N 0.00 0.44 -1.03 -1.09 -0.00 -1.38 -2.19 114.58 109.33 3a7m h GLU 37 Ca 0.00 -0.46 0.26 0.00 -0.00 0.00 0.00 59.36 59.16 3a7m h GLU 37 Cb 0.24 0.13 -0.11 0.00 -0.00 0.00 0.00 28.75 29.01 3a7m h GLU 37 CO 0.00 1.11 0.64 0.28 -0.00 0.00 0.00 179.01 181.05 3a7m h VAL 38 N -0.05 0.52 0.25 -1.06 2.07 -1.70 0.17 116.25 116.45 3a7m h VAL 38 Ca -0.07 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3a7m h VAL 38 Cb 1.32 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3a7m h VAL 38 CO 0.12 0.08 -0.12 0.28 0.02 0.00 0.00 177.57 177.96 3a7m h SER 39 N 0.46 -0.29 -1.23 0.57 0.02 -1.70 -1.61 113.55 109.77 3a7m h SER 39 Ca 0.62 0.00 0.38 0.00 -0.84 0.00 0.00 61.79 61.95 3a7m h SER 39 Cb 1.42 0.07 -0.12 0.00 0.14 0.00 0.00 62.40 63.91 3a7m h SER 39 CO -0.37 0.17 0.79 0.22 -1.14 0.00 0.00 176.83 176.50 3a7m h TYR 40 N -1.09 0.57 0.12 3.45 3.20 -0.67 1.05 116.97 123.60 3a7m h TYR 40 Ca -0.03 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 3a7m h TYR 40 Cb 0.27 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.39 3a7m h TYR 40 CO 0.00 -0.14 -0.06 1.25 -1.64 0.00 0.00 178.16 177.58 3a7m h LEU 41 N 0.17 -0.14 -2.07 2.82 6.46 -0.71 -1.69 115.31 120.15 3a7m h LEU 41 Ca 0.75 -0.42 0.09 0.00 -0.12 0.00 0.00 57.88 58.18 3a7m h LEU 41 Cb 2.25 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 42.20 3a7m h LEU 41 CO -0.39 0.46 0.35 1.56 -0.62 0.00 0.00 178.44 179.80 3a7m h GLN 42 N -0.85 0.00 0.02 1.25 1.08 0.82 -0.52 115.11 116.92 3a7m h GLN 42 Ca -0.02 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3a7m h GLN 42 Cb 0.55 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 3a7m h GLN 42 CO 0.03 0.00 -0.01 0.77 -0.95 0.00 0.00 178.83 178.67 3a7m h SER 43 N 0.00 -0.02 -0.83 1.46 0.02 0.98 -2.37 113.55 112.79 3a7m h SER 43 Ca 0.14 -0.73 0.09 0.00 -0.84 0.00 0.00 61.79 60.45 3a7m h SER 43 Cb 0.83 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 63.31 3a7m h SER 43 CO -0.00 0.78 0.48 0.40 -1.14 0.00 0.00 176.83 177.35 3a7m h ILE 44 N -0.90 0.92 -0.40 3.27 2.04 -0.39 -2.18 117.51 119.87 3a7m h ILE 44 Ca -0.00 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.59 3a7m h ILE 44 Cb 0.75 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 3a7m h ILE 44 CO 0.00 0.15 0.26 -0.33 0.00 0.00 0.00 178.15 178.23 3a7m h GLU 45 N 0.80 0.51 0.19 2.37 5.08 -1.17 -3.14 114.58 119.22 3a7m h GLU 45 Ca 0.40 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 3a7m h GLU 45 Cb 0.35 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3a7m h GLU 45 CO -0.24 0.34 -0.09 1.15 -1.00 0.00 0.00 179.01 179.16 3a7m h THR 46 N 0.52 0.84 0.00 1.13 2.02 -0.85 -3.12 112.91 113.45 3a7m h THR 46 Ca 0.15 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3a7m h THR 46 Cb -0.03 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3a7m h THR 46 CO -0.05 0.04 0.02 0.52 0.37 0.00 0.00 175.52 176.42 3a7m n VAL 47 N -5.17 0.00 0.00 3.16 0.31 -0.91 -3.12 118.33 112.60 3a7m n VAL 47 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 3a7m n VAL 47 Cb 0.15 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 3a7m n VAL 47 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3a7m n GLU 49 N 2.02 0.00 -1.98 5.55 0.28 -1.18 -4.90 120.64 120.42 3a7m n GLU 49 Ca 0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.72 3a7m n GLU 49 Cb 0.00 0.00 0.11 0.00 1.43 0.00 0.00 31.44 32.98 3a7m n GLU 49 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 3a7m s LYS 50 N 0.00 1.69 -0.29 3.44 2.47 -1.18 -5.04 119.74 120.83 3a7m s LYS 50 Ca 0.00 -0.12 -0.09 0.00 -1.56 0.00 0.00 55.97 54.20 3a7m s LYS 50 Cb 0.00 -1.98 -0.02 0.00 -1.46 0.00 0.00 37.83 34.37 3a7m s LYS 50 CO 0.00 -1.72 0.14 -1.14 0.16 0.00 0.00 175.35 172.79 3a7m s GLN 51 N -5.58 3.51 0.11 4.03 2.00 -1.26 -5.05 119.66 117.42 3a7m s GLN 51 Ca 0.65 -0.60 -0.31 0.00 -2.00 0.00 0.00 55.36 53.10 3a7m s GLN 51 Cb -0.09 -3.53 -0.09 0.00 0.80 0.00 0.00 33.01 30.10 3a7m s GLN 51 CO 0.49 -0.33 1.65 0.99 -0.50 0.00 0.00 175.29 177.59 3a7m s THR 52 N 1.64 2.82 0.98 -0.34 2.01 -1.26 -4.95 115.64 116.54 3a7m s THR 52 Ca 0.05 0.41 -0.15 0.00 0.31 0.00 0.00 61.69 62.32 3a7m s THR 52 Cb -0.16 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.08 3a7m s THR 52 CO 0.06 0.01 0.07 -0.81 -0.69 0.00 0.00 174.62 173.27 3a7m n PRO 53 N 5.05 -0.36 0.19 4.92 -0.04 -1.26 -4.98 135.00 138.53 3a7m n PRO 53 Ca 0.15 -0.08 -0.09 0.00 -0.04 0.00 0.00 63.50 63.45 3a7m n PRO 53 Cb 0.39 -1.65 -0.04 0.00 -0.04 0.00 0.00 33.50 32.16 3a7m n PRO 53 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3a7m h PRO 54 N -1.49 -0.54 -1.73 0.54 0.13 -1.95 -3.36 132.00 123.60 3a7m h PRO 54 Ca -0.44 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3a7m h PRO 54 Cb 1.30 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.55 3a7m h PRO 54 CO 0.32 -0.36 0.00 0.41 -0.23 0.00 0.00 178.00 178.14 3a7m n GLY 55 N 0.33 1.04 3.71 1.56 0.00 -1.26 -4.90 105.19 105.66 3a7m n GLY 55 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 3a7m n GLY 55 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3a7m s ILE 56 N 0.78 3.08 0.18 -0.61 2.07 -1.26 -5.00 121.20 120.43 3a7m s ILE 56 Ca 0.00 0.69 0.06 0.00 -1.41 0.00 0.00 60.65 59.98 3a7m s ILE 56 Cb 0.00 -3.44 -0.04 0.00 0.13 0.00 0.00 42.46 39.11 3a7m s ILE 56 CO 0.00 0.03 0.13 0.28 -1.91 0.00 0.00 174.94 173.47 3a7m s THR 57 N 1.72 4.39 0.40 4.00 -1.32 -1.26 -4.96 115.64 118.60 3a7m s THR 57 Ca 0.69 -1.18 0.12 0.00 -1.21 0.00 0.00 61.69 60.11 3a7m s THR 57 Cb -0.39 -3.26 0.33 0.00 -1.51 0.00 0.00 72.50 67.67 3a7m s THR 57 CO 0.31 -0.15 1.92 -0.09 -2.21 0.00 0.00 174.62 174.40 3a7m h ARG 58 N 2.29 0.54 0.14 7.08 9.65 -1.98 0.18 114.38 132.27 3a7m h ARG 58 Ca -0.48 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.37 3a7m h ARG 58 Cb 1.21 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 29.66 3a7m h ARG 58 CO 0.62 0.36 -0.10 0.77 2.80 0.00 0.00 179.97 184.42 3a7m h SER 59 N 0.55 -0.24 0.03 -3.80 0.02 -1.99 0.11 113.55 108.23 3a7m h SER 59 Ca 0.37 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.34 3a7m h SER 59 Cb 0.67 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.29 3a7m h SER 59 CO -0.14 -0.15 -0.01 0.40 -1.14 0.00 0.00 176.83 175.79 3a7m h ILE 60 N -0.23 1.05 -0.80 3.27 2.04 -1.63 -2.52 117.51 118.68 3a7m h ILE 60 Ca -0.01 -0.23 0.19 0.00 1.00 0.00 0.00 64.86 65.82 3a7m h ILE 60 Cb 0.20 1.20 -0.13 0.00 -0.74 0.00 0.00 36.82 37.36 3a7m h ILE 60 CO 0.00 0.06 0.19 -0.61 0.00 0.00 0.00 178.15 177.79 3a7m h GLN 61 N -0.13 0.23 -0.77 2.37 4.15 -0.46 -1.76 115.11 118.74 3a7m h GLN 61 Ca -0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3a7m h GLN 61 Cb 0.12 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.76 3a7m h GLN 61 CO 0.01 0.15 0.00 -0.25 -1.93 0.00 0.00 178.83 176.81 3a7m n ASP 62 N -5.20 0.19 0.00 -0.69 9.92 0.00 -1.42 116.55 119.36 3a7m n ASP 62 Ca 0.17 -0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 3a7m n ASP 62 Cb 0.55 -0.06 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 3a7m n ASP 62 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3a7m n VAL 64 N 0.63 0.00 -0.33 2.53 0.31 -0.66 -1.15 118.33 119.66 3a7m n VAL 64 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 3a7m n VAL 64 Cb 0.04 0.00 0.20 0.00 -0.91 0.00 0.00 33.84 33.17 3a7m n VAL 64 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a7m h ALA 65 N 0.00 1.35 -0.60 3.52 0.00 -1.48 -0.49 119.26 121.56 3a7m h ALA 65 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3a7m h ALA 65 Cb 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3a7m h ALA 65 CO 0.00 0.18 0.39 0.78 0.00 0.00 0.00 179.25 180.60 3a7m h GLY 66 N 0.91 0.85 0.77 0.00 0.00 -1.40 0.16 103.07 104.35 3a7m h GLY 66 Ca 0.45 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.50 3a7m h GLY 66 CO -0.25 0.29 0.13 -0.97 0.00 0.00 0.00 176.54 175.74 3a7m h TYR 67 N 0.79 0.24 -0.98 5.60 -1.99 -1.42 0.34 116.97 119.56 3a7m h TYR 67 Ca 0.22 0.02 0.05 0.00 2.00 0.00 0.00 58.73 61.02 3a7m h TYR 67 Cb -0.07 -0.06 -0.06 0.00 2.00 0.00 0.00 36.73 38.54 3a7m h TYR 67 CO -0.04 0.11 0.63 0.82 -0.00 0.00 0.00 178.16 179.69 3a7m h ILE 68 N 0.28 1.14 0.06 -2.88 2.04 -0.34 0.17 117.51 117.98 3a7m h ILE 68 Ca 0.14 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 3a7m h ILE 68 Cb 0.09 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.00 3a7m h ILE 68 CO -0.13 0.22 -0.03 0.11 0.00 0.00 0.00 178.15 178.32 3a7m h LYS 69 N 1.20 -0.08 -0.62 2.37 1.57 0.30 0.33 116.57 121.64 3a7m h LYS 69 Ca 0.40 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.31 3a7m h LYS 69 Cb 0.06 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.27 3a7m h LYS 69 CO -0.14 0.07 -0.09 0.37 -0.57 0.00 0.00 179.45 179.09 3a7m h GLN 70 N -0.21 0.04 0.51 3.15 4.15 0.82 0.31 115.11 123.87 3a7m h GLN 70 Ca -0.01 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 3a7m h GLN 70 Cb 0.19 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 3a7m h GLN 70 CO 0.01 0.03 -0.44 1.15 -1.93 0.00 0.00 178.83 177.65 3a7m h THR 71 N 0.04 0.13 -0.51 2.39 2.02 -0.07 -1.86 112.91 115.06 3a7m h THR 71 Ca 0.31 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.61 3a7m h THR 71 Cb 0.50 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 3a7m h THR 71 CO -0.60 0.00 0.35 -0.07 0.37 0.00 0.00 175.52 175.57 3a7m h LEU 72 N -0.94 0.14 -0.52 2.58 3.38 0.54 0.30 115.31 120.79 3a7m h LEU 72 Ca -0.06 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 3a7m h LEU 72 Cb 0.80 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3a7m h LEU 72 CO -0.02 0.08 -0.60 0.44 0.09 0.00 0.00 178.44 178.43 3a7m h ASP 73 N 0.15 0.52 0.59 -0.43 3.32 0.23 -2.54 116.42 118.26 3a7m h ASP 73 Ca 0.24 -0.29 -0.20 0.00 0.02 0.00 0.00 57.03 56.79 3a7m h ASP 73 Cb 0.75 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3a7m h ASP 73 CO -0.03 1.00 -0.90 0.78 -1.72 0.00 0.00 179.24 178.37 3a7m h ASN 74 N 0.35 0.26 0.00 6.45 2.35 -0.56 -2.91 115.58 121.52 3a7m h ASN 74 Ca -0.00 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.53 3a7m h ASN 74 Cb 1.14 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.43 3a7m h ASN 74 CO 0.11 1.03 -0.00 -0.08 -1.65 0.00 0.00 177.43 176.83 3a7m h GLU 75 N 0.11 0.00 0.00 0.81 4.57 -0.79 0.18 114.58 119.45 3a7m h GLU 75 Ca -0.05 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.92 3a7m h GLU 75 Cb 1.53 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 30.09 3a7m h GLU 75 CO 0.14 0.00 -1.33 0.37 -1.18 0.00 0.00 179.01 177.01 3a7m h GLN 76 N 0.00 0.00 -0.06 1.92 4.15 -1.33 -2.93 115.11 116.86 3a7m h GLN 76 Ca -0.00 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 3a7m h GLN 76 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3a7m h GLN 76 CO 0.00 0.54 -0.15 -0.07 -1.93 0.00 0.00 178.83 177.23 3a7m h LEU 77 N 0.00 0.24 0.10 -2.39 3.38 -1.07 -2.64 115.31 112.93 3a7m h LEU 77 Ca -0.16 -0.58 0.01 0.00 0.09 0.00 0.00 57.88 57.24 3a7m h LEU 77 Cb 1.77 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.42 3a7m h LEU 77 CO 0.08 0.77 -0.38 0.25 0.09 0.00 0.00 178.44 179.25 3a7m h LEU 78 N -0.28 -1.15 -1.61 1.67 5.85 -0.80 -0.60 115.31 118.39 3a7m h LEU 78 Ca 0.00 0.12 0.38 0.00 0.84 0.00 0.00 57.88 59.22 3a7m h LEU 78 Cb 0.74 0.42 -0.09 0.00 0.37 0.00 0.00 40.66 42.10 3a7m h LEU 78 CO 0.03 -0.41 0.87 0.50 -0.34 0.00 0.00 178.44 179.09 3a7m h LYS 79 N -0.56 0.14 0.32 1.25 3.64 -1.58 0.22 116.57 120.00 3a7m h LYS 79 Ca -0.01 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3a7m h LYS 79 Cb 0.56 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3a7m h LYS 79 CO -0.20 0.09 -0.15 0.78 -2.27 0.00 0.00 179.45 177.70 3a7m h GLY 80 N 0.14 -0.45 1.06 5.01 0.00 -0.76 -1.99 103.07 106.07 3a7m h GLY 80 Ca 0.71 0.17 0.08 0.00 0.00 0.00 0.00 47.33 48.28 3a7m h GLY 80 CO -0.24 -0.16 0.44 1.41 0.00 0.00 0.00 176.54 177.99 3a7m h LEU 81 N -0.93 0.53 -0.23 3.11 3.38 0.20 -1.11 115.31 120.26 3a7m h LEU 81 Ca -0.04 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3a7m h LEU 81 Cb 0.51 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3a7m h LEU 81 CO 0.07 0.33 0.02 -0.07 0.09 0.00 0.00 178.44 178.88 3a7m h LEU 82 N 0.60 0.38 -1.97 1.67 3.38 -0.68 -1.34 115.31 117.35 3a7m h LEU 82 Ca 0.29 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3a7m h LEU 82 Cb 0.37 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3a7m h LEU 82 CO -0.09 0.57 -0.08 -0.61 0.09 0.00 0.00 178.44 178.32 3a7m h GLN 83 N 0.18 0.00 0.08 1.13 5.75 -0.66 0.90 115.11 122.49 3a7m h GLN 83 Ca 0.07 0.00 -0.25 0.00 -0.15 0.00 0.00 58.65 58.32 3a7m h GLN 83 Cb 0.37 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.94 3a7m h GLN 83 CO 0.01 0.08 -1.01 0.37 -2.65 0.00 0.00 178.83 175.62 3a7m h GLN 84 N 0.00 0.54 -0.00 1.69 4.15 -0.76 -1.72 115.11 119.00 3a7m h GLN 84 Ca -0.00 -0.69 -0.15 0.00 0.77 0.00 0.00 58.65 58.58 3a7m h GLN 84 Cb 0.34 0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 3a7m h GLN 84 CO 0.01 1.29 -0.71 -0.09 -1.93 0.00 0.00 178.83 177.40 3a7m h ARG 85 N 0.10 0.02 -0.43 1.69 9.65 -0.69 -2.30 114.38 122.43 3a7m h ARG 85 Ca -0.15 -0.02 -0.10 0.00 -1.10 0.00 0.00 59.98 58.61 3a7m h ARG 85 Cb 1.72 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.28 3a7m h ARG 85 CO 0.19 0.72 -0.15 1.25 2.80 0.00 0.00 179.97 184.78 3a7m h LEU 86 N 0.01 0.80 0.62 3.80 5.85 -0.85 -2.81 115.31 122.72 3a7m h LEU 86 Ca -0.01 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 3a7m h LEU 86 Cb 1.26 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 42.08 3a7m h LEU 86 CO 0.09 0.95 -0.30 0.44 -0.34 0.00 0.00 178.44 179.29 3a7m h ASP 87 N 0.71 -0.71 0.04 1.25 3.32 -0.85 -1.23 116.42 118.95 3a7m h ASP 87 Ca 0.11 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 3a7m h ASP 87 Cb 0.65 0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.38 3a7m h ASP 87 CO 0.05 -0.47 -0.01 1.05 -1.72 0.00 0.00 179.24 178.13 3a7m h GLU 88 N -0.90 0.00 0.01 3.56 4.11 -1.50 -1.55 114.58 118.31 3a7m h GLU 88 Ca -0.09 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.29 3a7m h GLU 88 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3a7m h GLU 88 CO 0.14 0.01 -0.23 -0.07 0.07 0.00 0.00 179.01 178.93 3a7m h LEU 89 N 0.00 0.19 -1.37 3.06 4.07 -1.47 -2.91 115.31 116.88 3a7m h LEU 89 Ca -0.00 -0.80 0.00 0.00 0.08 0.00 0.00 57.88 57.16 3a7m h LEU 89 Cb 0.04 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.72 3a7m h LEU 89 CO 0.00 0.97 0.00 -1.20 -1.08 0.00 0.00 178.44 177.14 3a7m n SER 90 N -4.52 0.55 0.14 -0.43 7.64 -0.47 -0.70 113.62 115.83 3a7m n SER 90 Ca -0.10 0.75 0.02 0.00 1.01 0.00 0.00 58.87 60.55 3a7m n SER 90 Cb 0.51 -0.83 0.07 0.00 -1.01 0.00 0.00 64.21 62.95 3a7m n SER 90 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 3a7m h SER 91 N 0.00 0.00 -0.04 6.43 0.87 -1.10 -3.32 113.55 116.40 3a7m h SER 91 Ca 0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 3a7m h SER 91 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 3a7m h SER 91 CO 0.00 0.56 -0.26 -0.07 -0.53 0.00 0.00 176.83 176.53 3a7m h LEU 92 N 0.00 0.30 -0.64 2.23 4.07 -0.89 -3.27 115.31 117.11 3a7m h LEU 92 Ca -0.01 -0.68 0.07 0.00 0.08 0.00 0.00 57.88 57.34 3a7m h LEU 92 Cb 1.34 -0.09 -0.06 0.00 1.08 0.00 0.00 40.66 42.93 3a7m h LEU 92 CO 0.07 0.93 0.32 0.40 -1.08 0.00 0.00 178.44 179.09 3a7m h ILE 93 N -0.32 0.91 0.63 1.22 2.04 -1.68 -3.26 117.51 117.05 3a7m h ILE 93 Ca -0.02 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 3a7m h ILE 93 Cb 0.94 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3a7m h ILE 93 CO 0.05 0.11 -0.33 1.23 0.00 0.00 0.00 178.15 179.21 3a7m h GLY 94 N 0.59 -0.94 0.05 5.37 0.00 -1.66 -3.05 103.07 103.42 3a7m h GLY 94 Ca 0.30 0.37 0.24 0.00 0.00 0.00 0.00 47.33 48.23 3a7m h GLY 94 CO -0.22 -0.34 0.64 1.46 0.00 0.00 0.00 176.54 178.09 3a7m h GLN 95 N -0.89 0.42 -1.65 4.80 1.08 -1.61 -3.09 115.11 114.16 3a7m h GLN 95 Ca -0.08 -0.03 -0.53 0.00 -1.45 0.00 0.00 58.65 56.56 3a7m h GLN 95 Cb 0.70 -0.09 -0.20 0.00 -0.05 0.00 0.00 27.48 27.83 3a7m h GLN 95 CO 0.12 0.28 0.61 0.45 -0.95 0.00 0.00 178.83 179.34 3a7m n SER 96 N -4.59 6.91 -2.24 1.46 2.88 -1.15 -4.61 113.62 112.28 3a7m n SER 96 Ca 0.23 -3.39 -0.20 0.00 -1.33 0.00 0.00 58.87 54.18 3a7m n SER 96 Cb 0.79 -1.10 -0.08 0.00 -0.75 0.00 0.00 64.21 63.07 3a7m n SER 96 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3a7m n THR 97 N 0.11 3.11 1.64 2.46 -1.04 -1.17 -3.98 114.28 115.40 3a7m n THR 97 Ca 0.47 -2.30 0.15 0.00 -2.04 0.00 0.00 64.05 60.33 3a7m n THR 97 Cb 0.53 -1.68 0.83 0.00 -1.82 0.00 0.00 70.33 68.19 3a7m n THR 97 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3a7m n ARG 98 N 1.32 0.65 -0.12 -2.82 5.12 -1.26 -3.20 116.66 116.34 3a7m n ARG 98 Ca 0.43 -0.01 0.18 0.00 -1.93 0.00 0.00 57.85 56.52 3a7m n ARG 98 Cb 0.66 -1.50 0.58 0.00 -1.16 0.00 0.00 32.46 31.04 3a7m n ARG 98 CO 0.00 0.00 0.00 0.37 -1.93 0.00 0.00 177.63 176.07 3a7m h GLN 99 N 0.02 0.25 0.07 5.56 -0.00 -1.97 4.53 115.11 123.58 3a7m h GLN 99 Ca 0.00 -0.01 -0.20 0.00 -0.00 0.00 0.00 58.65 58.43 3a7m h GLN 99 Cb 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.60 3a7m h GLN 99 CO 0.00 0.16 -1.02 -0.22 0.00 0.00 0.00 178.83 177.75 3a7m h LYS 100 N 0.26 0.16 -0.69 1.69 1.63 -1.92 0.78 116.57 118.47 3a7m h LYS 100 Ca 0.35 -0.27 0.09 0.00 -0.85 0.00 0.00 60.65 59.97 3a7m h LYS 100 Cb 0.99 0.10 -0.07 0.00 -0.60 0.00 0.00 32.23 32.65 3a7m h LYS 100 CO -0.08 1.13 0.34 0.77 -3.45 0.00 0.00 179.45 178.16 3a7m h SER 101 N -0.59 0.44 0.00 4.20 0.02 -1.07 1.58 113.55 118.14 3a7m h SER 101 Ca -0.23 0.06 -0.15 0.00 -0.84 0.00 0.00 61.79 60.63 3a7m h SER 101 Cb 1.51 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 64.04 3a7m h SER 101 CO 0.01 0.26 -0.60 -0.07 -1.14 0.00 0.00 176.83 175.28 3a7m h LEU 102 N 0.59 0.52 -1.90 5.07 4.07 0.87 0.25 115.31 124.77 3a7m h LEU 102 Ca 0.34 -0.77 -0.02 0.00 0.08 0.00 0.00 57.88 57.51 3a7m h LEU 102 Cb 0.35 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.93 3a7m h LEU 102 CO -0.26 1.22 -0.12 -1.13 -1.08 0.00 0.00 178.44 177.07 3a7m h ASN 103 N -0.12 0.00 -0.02 -0.43 -0.73 0.13 0.42 115.58 114.82 3a7m h ASN 103 Ca -0.08 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 57.96 3a7m h ASN 103 Cb 1.32 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.92 3a7m h ASN 103 CO 0.12 0.12 -0.49 0.78 -0.37 0.00 0.00 177.43 177.59 3a7m h ASN 104 N 0.00 0.47 0.21 1.15 2.35 0.24 -0.55 115.58 119.45 3a7m h ASN 104 Ca -0.00 -0.73 -0.02 0.00 -0.55 0.00 0.00 56.30 54.99 3a7m h ASN 104 Cb 0.25 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 3a7m h ASN 104 CO 0.02 1.14 -0.12 0.00 -1.65 0.00 0.00 177.43 176.81 3a7m h ALA 105 N 0.35 1.53 0.00 -0.83 0.00 0.72 -1.00 119.26 120.03 3a7m h ALA 105 Ca -0.05 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 3a7m h ALA 105 Cb 1.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3a7m h ALA 105 CO 0.10 0.15 -0.47 -0.92 0.00 0.00 0.00 179.25 178.11 3a7m h TYR 106 N 0.00 0.00 -0.50 0.00 5.03 -0.18 -3.25 116.97 118.07 3a7m h TYR 106 Ca -0.00 0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.37 3a7m h TYR 106 Cb 0.25 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 38.48 3a7m h TYR 106 CO 0.00 1.09 0.20 0.78 -1.32 0.00 0.00 178.16 178.91 3a7m h GLY 107 N -1.00 0.68 0.30 1.82 0.00 -0.95 0.40 103.07 104.32 3a7m h GLY 107 Ca -0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 3a7m h GLY 107 CO -0.08 0.03 -0.34 3.21 0.00 0.00 0.00 176.54 179.37 3a7m h ARG 108 N 0.39 -0.62 -0.92 4.80 3.08 -1.35 -0.91 114.38 118.86 3a7m h ARG 108 Ca 0.24 0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.45 3a7m h ARG 108 Cb 0.23 0.14 -0.08 0.00 0.08 0.00 0.00 29.97 30.33 3a7m h ARG 108 CO -0.22 -0.41 0.54 1.25 -1.07 0.00 0.00 179.97 180.05 3a7m h LEU 109 N -0.64 0.76 -1.98 3.04 5.85 -1.54 -0.65 115.31 120.14 3a7m h LEU 109 Ca -0.04 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 3a7m h LEU 109 Cb 0.57 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 3a7m h LEU 109 CO -0.06 0.39 0.00 0.28 -0.34 0.00 0.00 178.44 178.71 3a7m h SER 110 N 0.84 0.01 -3.59 1.25 0.02 0.30 -3.49 113.55 108.89 3a7m h SER 110 Ca 0.47 -0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.75 3a7m h SER 110 Cb 0.51 -0.00 -0.25 0.00 0.14 0.00 0.00 62.40 62.80 3a7m h SER 110 CO -0.29 0.01 -0.64 -0.83 -1.14 0.00 0.00 176.83 173.95 3a7m s GLY 111 N -4.06 1.75 0.00 -3.77 0.00 -0.25 -5.07 107.32 95.92 3a7m s GLY 111 Ca -0.05 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.42 3a7m s GLY 111 CO 0.67 0.56 0.00 1.04 0.00 0.00 0.00 173.10 175.37 3a7m n LEU 113 N 4.89 0.00 -0.48 0.66 4.77 -1.26 -5.02 117.00 120.56 3a7m n LEU 113 Ca -0.16 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 55.93 3a7m n LEU 113 Cb 0.50 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.58 3a7m n LEU 113 CO 0.31 0.00 0.29 0.18 -1.33 0.00 0.00 177.39 176.84 3a7m n LEU 114 N 0.00 2.00 -4.55 2.23 4.77 -1.26 -4.96 117.00 115.23 3a7m n LEU 114 Ca 0.00 -0.76 -0.51 0.00 -0.03 0.00 0.00 56.01 54.71 3a7m n LEU 114 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 3a7m n LEU 114 CO 0.00 0.37 1.65 1.33 -1.33 0.00 0.00 177.39 179.41 3a7m n VAL 115 N -0.05 0.29 -0.07 4.08 0.24 -1.26 -4.96 118.33 116.60 3a7m n VAL 115 Ca 0.09 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 3a7m n VAL 115 Cb 0.46 -1.64 0.00 0.00 -1.47 0.00 0.00 33.84 31.19 3a7m n VAL 115 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3a7m n PRO 116 N 7.37 0.70 0.00 7.34 -0.04 -1.26 -5.04 135.00 144.06 3a7m n PRO 116 Ca 0.34 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 3a7m n PRO 116 Cb 0.23 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.69 3a7m n PRO 116 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3a7m n ASP 117 N -0.44 0.00 -0.23 3.54 5.68 -1.26 -5.20 116.55 118.63 3a7m n ASP 117 Ca 0.00 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.32 3a7m n ASP 117 Cb 0.00 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.00 3a7m n ASP 117 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87