#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a6n s THR 16 N 0.00 3.87 0.55 0.58 -4.23 -1.26 -4.89 115.64 110.26 3a6n s THR 16 Ca 0.00 0.99 0.26 0.00 -1.18 0.00 0.00 61.69 61.77 3a6n s THR 16 Cb 0.00 -3.44 0.39 0.00 1.34 0.00 0.00 72.50 70.78 3a6n s THR 16 CO 0.00 -0.42 2.00 0.03 -0.54 0.00 0.00 174.62 175.69 3a6n h ARG 17 N 0.92 0.00 -0.17 3.99 3.08 -1.98 -1.54 114.38 118.68 3a6n h ARG 17 Ca -0.48 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.41 3a6n h ARG 17 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 3a6n h ARG 17 CO 0.58 0.00 -0.57 0.77 -1.07 0.00 0.00 179.97 179.69 3a6n h SER 18 N 0.00 0.59 0.60 7.04 0.02 -1.86 0.25 113.55 120.20 3a6n h SER 18 Ca 0.21 -0.32 -0.18 0.00 -0.84 0.00 0.00 61.79 60.66 3a6n h SER 18 Cb 0.92 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 3a6n h SER 18 CO -0.00 1.03 -0.80 0.77 -1.14 0.00 0.00 176.83 176.69 3a6n h SER 19 N 0.41 0.18 -0.24 3.07 4.64 -1.48 1.58 113.55 121.71 3a6n h SER 19 Ca 0.00 -0.14 -0.19 0.00 -0.47 0.00 0.00 61.79 60.99 3a6n h SER 19 Cb 1.11 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3a6n h SER 19 CO 0.11 0.91 -0.60 -0.09 -0.87 0.00 0.00 176.83 176.28 3a6n h ARG 20 N 0.09 0.84 0.00 4.77 2.43 -1.25 -2.52 114.38 118.74 3a6n h ARG 20 Ca -0.03 -0.57 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 3a6n h ARG 20 Cb 1.40 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.03 3a6n h ARG 20 CO 0.12 1.20 0.00 0.00 -1.51 0.00 0.00 179.97 179.77 3a6n n ALA 21 N -2.58 2.27 -2.89 2.80 0.00 0.87 -4.91 120.51 116.08 3a6n n ALA 21 Ca -0.05 -0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 3a6n n ALA 21 Cb 0.66 -1.46 0.03 0.00 0.00 0.00 0.00 19.45 18.68 3a6n n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a6n n GLY 22 N 1.33 0.27 3.35 0.00 0.00 0.73 -5.04 105.19 105.83 3a6n n GLY 22 Ca 0.06 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 3a6n n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a6n s LEU 23 N -3.71 2.46 -0.03 0.99 1.43 0.51 -4.98 118.68 115.34 3a6n s LEU 23 Ca 0.19 -0.89 0.01 0.00 -1.03 0.00 0.00 54.13 52.42 3a6n s LEU 23 Cb -0.09 -0.85 -0.26 0.00 0.03 0.00 0.00 46.19 45.03 3a6n s LEU 23 CO 0.31 -0.03 0.71 1.56 0.23 0.00 0.00 176.35 179.12 3a6n h GLN 24 N 3.13 0.16 -6.88 1.70 1.08 -1.96 -3.38 115.11 108.97 3a6n h GLN 24 Ca -0.42 -0.28 -0.51 0.00 -1.45 0.00 0.00 58.65 55.99 3a6n h GLN 24 Cb 1.21 0.10 0.05 0.00 -0.05 0.00 0.00 27.48 28.79 3a6n h GLN 24 CO 0.52 0.94 0.54 -0.06 -0.95 0.00 0.00 178.83 179.83 3a6n s PHE 25 N -2.60 3.23 -0.70 2.96 0.40 -1.26 -4.95 117.98 115.05 3a6n s PHE 25 Ca -0.10 1.55 -0.26 0.00 -0.60 0.00 0.00 56.93 57.52 3a6n s PHE 25 Cb 0.07 -3.47 -0.04 0.00 0.51 0.00 0.00 43.02 40.09 3a6n s PHE 25 CO 0.82 -1.27 1.99 -1.25 0.70 0.00 0.00 175.22 176.21 3a6n s PRO 26 N -1.83 2.47 0.36 0.24 0.04 -1.26 -4.75 135.00 130.27 3a6n s PRO 26 Ca 0.50 0.40 0.05 0.00 0.04 0.00 0.00 61.00 61.99 3a6n s PRO 26 Cb -0.34 -4.65 0.68 0.00 0.04 0.00 0.00 34.50 30.23 3a6n s PRO 26 CO 0.45 -3.12 1.93 0.28 0.04 0.00 0.00 177.00 176.58 3a6n h VAL 27 N 7.15 1.17 -0.41 -0.36 2.07 -1.91 -0.64 116.25 123.32 3a6n h VAL 27 Ca -0.13 -0.62 -0.11 0.00 0.82 0.00 0.00 66.70 66.66 3a6n h VAL 27 Cb 1.11 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 3a6n h VAL 27 CO 1.20 0.22 -0.20 1.23 0.02 0.00 0.00 177.57 180.04 3a6n h GLY 28 N 0.75 0.88 0.73 2.17 0.00 -1.94 -1.43 103.07 104.23 3a6n h GLY 28 Ca 0.12 -0.74 -0.10 0.00 0.00 0.00 0.00 47.33 46.61 3a6n h GLY 28 CO -0.00 0.67 -0.35 -0.09 0.00 0.00 0.00 176.54 176.77 3a6n h ARG 29 N 0.71 0.38 -0.37 4.80 2.43 -1.85 -1.83 114.38 118.65 3a6n h ARG 29 Ca 0.10 -0.30 0.04 0.00 -0.81 0.00 0.00 59.98 59.02 3a6n h ARG 29 Cb 0.71 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 3a6n h ARG 29 CO 0.05 0.93 0.25 0.28 -1.51 0.00 0.00 179.97 179.97 3a6n h VAL 30 N -0.09 0.98 -0.13 0.20 2.07 -1.09 0.36 116.25 118.56 3a6n h VAL 30 Ca -0.02 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 3a6n h VAL 30 Cb 0.99 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3a6n h VAL 30 CO 0.07 0.06 -0.14 -0.74 0.02 0.00 0.00 177.57 176.84 3a6n h HIS 31 N 0.31 0.39 -0.62 1.57 -0.00 -1.10 -1.28 115.15 114.43 3a6n h HIS 31 Ca 0.16 -0.12 -0.05 0.00 -0.00 0.00 0.00 60.37 60.35 3a6n h HIS 31 Cb 0.23 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 27.53 3a6n h HIS 31 CO -0.00 0.74 0.17 -0.09 -0.00 0.00 0.00 177.93 178.75 3a6n h ARG 32 N -0.07 0.94 -0.27 5.26 1.12 -0.42 -2.04 114.38 118.91 3a6n h ARG 32 Ca 0.02 -0.19 -0.08 0.00 -1.11 0.00 0.00 59.98 58.62 3a6n h ARG 32 Cb 0.68 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.48 3a6n h ARG 32 CO 0.03 0.82 -0.17 -0.07 -3.11 0.00 0.00 179.97 177.47 3a6n h LEU 33 N 0.91 0.46 -0.07 3.80 3.38 -0.19 -1.63 115.31 121.98 3a6n h LEU 33 Ca 0.20 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3a6n h LEU 33 Cb 0.29 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3a6n h LEU 33 CO -0.01 0.66 -0.13 -0.07 0.09 0.00 0.00 178.44 178.98 3a6n h LEU 34 N 0.43 0.24 0.02 1.67 3.38 -0.80 -2.23 115.31 118.01 3a6n h LEU 34 Ca 0.07 -0.55 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 3a6n h LEU 34 Cb 0.55 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3a6n h LEU 34 CO 0.04 0.75 -0.01 0.03 0.09 0.00 0.00 178.44 179.33 3a6n h ARG 35 N -0.26 -0.03 -0.04 1.13 3.08 -1.33 -2.72 114.38 114.21 3a6n h ARG 35 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3a6n h ARG 35 Cb 0.70 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3a6n h ARG 35 CO 0.03 0.03 0.00 1.63 -1.07 0.00 0.00 179.97 180.59 3a6n n LYS 36 N -5.08 1.16 -0.05 0.04 5.02 -0.62 -3.32 118.16 115.32 3a6n n LYS 36 Ca -0.07 -0.24 0.12 0.00 -2.02 0.00 0.00 58.31 56.10 3a6n n LYS 36 Cb 0.06 -1.28 0.31 0.00 -0.02 0.00 0.00 35.03 34.11 3a6n n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a6n n GLY 37 N 0.83 0.66 3.27 0.72 0.00 -0.84 -4.99 105.19 104.84 3a6n n GLY 37 Ca 0.13 -0.57 -0.07 0.00 0.00 0.00 0.00 46.02 45.51 3a6n n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a6n n ASN 38 N 0.79 -6.95 0.00 1.61 5.03 -1.21 -4.93 115.26 109.61 3a6n n ASN 38 Ca 0.17 -0.32 0.00 0.00 0.87 0.00 0.00 54.58 55.30 3a6n n ASN 38 Cb 0.47 -4.25 0.00 0.00 -1.02 0.00 0.00 39.78 34.98 3a6n n ASN 38 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3a6n n TYR 39 N -1.97 0.00 -3.50 3.10 4.01 -1.26 -5.09 117.16 112.45 3a6n n TYR 39 Ca -0.09 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.53 3a6n n TYR 39 Cb 0.56 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.55 3a6n n TYR 39 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3a6n s SER 40 N -2.72 -0.48 0.22 7.72 1.04 -1.26 -5.05 113.70 113.18 3a6n s SER 40 Ca 0.00 0.21 -0.08 0.00 0.48 0.00 0.00 55.95 56.56 3a6n s SER 40 Cb 0.00 0.45 0.18 0.00 0.10 0.00 0.00 66.02 66.75 3a6n s SER 40 CO 0.00 -0.66 1.83 -0.08 0.98 0.00 0.00 173.24 175.31 3a6n h GLU 41 N 2.30 1.16 -4.90 4.02 4.81 -1.98 -3.44 114.58 116.55 3a6n h GLU 41 Ca -0.25 -0.15 -0.36 0.00 -0.13 0.00 0.00 59.36 58.47 3a6n h GLU 41 Cb 1.22 -0.22 -0.23 0.00 0.63 0.00 0.00 28.75 30.15 3a6n h GLU 41 CO 0.34 0.87 -0.76 1.03 -0.73 0.00 0.00 179.01 179.76 3a6n s ARG 42 N -5.80 0.69 -0.17 1.92 0.52 -1.26 -5.11 118.95 109.74 3a6n s ARG 42 Ca -0.13 -0.70 0.01 0.00 -0.52 0.00 0.00 55.73 54.39 3a6n s ARG 42 Cb 0.16 -0.60 0.01 0.00 0.52 0.00 0.00 34.95 35.04 3a6n s ARG 42 CO 0.82 0.14 -0.18 0.08 0.02 0.00 0.00 175.30 176.17 3a6n s VAL 43 N -1.01 2.26 0.84 3.52 1.01 -1.26 -5.10 120.40 120.67 3a6n s VAL 43 Ca -0.03 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 60.93 3a6n s VAL 43 Cb -0.08 -1.95 0.08 0.00 0.00 0.00 0.00 36.38 34.43 3a6n s VAL 43 CO 0.01 0.53 1.07 0.61 0.00 0.00 0.00 175.10 177.31 3a6n n GLY 44 N 4.43 -0.39 0.18 4.51 0.00 -1.26 -4.92 105.19 107.74 3a6n n GLY 44 Ca -0.20 -0.55 0.01 0.00 0.00 0.00 0.00 46.02 45.27 3a6n n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a6n h ALA 45 N -1.13 1.23 0.00 4.61 0.00 -2.04 -3.17 119.26 118.77 3a6n h ALA 45 Ca -0.45 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.05 3a6n h ALA 45 Cb 1.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3a6n h ALA 45 CO 0.44 0.56 -0.91 0.78 0.00 0.00 0.00 179.25 180.12 3a6n h GLY 46 N 1.30 0.00 0.58 0.00 0.00 -2.01 -3.39 103.07 99.55 3a6n h GLY 46 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 3a6n h GLY 46 CO 0.06 0.00 0.12 0.00 0.00 0.00 0.00 176.54 176.72 3a6n h ALA 47 N 2.19 0.48 -0.30 3.60 0.00 -1.92 0.17 119.26 123.46 3a6n h ALA 47 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3a6n h ALA 47 Cb 0.91 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3a6n h ALA 47 CO 0.00 -0.27 -0.23 -1.00 0.00 0.00 0.00 179.25 177.75 3a6n h PRO 48 N 0.28 0.58 0.16 0.00 0.13 -1.74 0.67 132.00 132.08 3a6n h PRO 48 Ca 0.20 -0.22 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 3a6n h PRO 48 Cb 0.20 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.30 3a6n h PRO 48 CO -0.22 0.76 -0.08 0.28 -0.23 0.00 0.00 178.00 178.52 3a6n h VAL 49 N 0.51 0.92 0.36 1.56 2.07 -1.58 0.18 116.25 120.27 3a6n h VAL 49 Ca 0.08 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3a6n h VAL 49 Cb 0.67 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3a6n h VAL 49 CO 0.05 0.08 -0.25 0.22 0.02 0.00 0.00 177.57 177.69 3a6n h TYR 50 N -0.39 -0.67 -0.76 1.57 5.03 -0.55 -0.05 116.97 121.15 3a6n h TYR 50 Ca -0.02 -0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.38 3a6n h TYR 50 Cb 0.30 0.25 -0.07 0.00 1.55 0.00 0.00 36.73 38.76 3a6n h TYR 50 CO -0.02 -0.38 0.41 1.25 -1.32 0.00 0.00 178.16 178.10 3a6n h LEU 51 N -0.60 0.56 -0.74 2.82 5.85 -0.86 0.43 115.31 122.76 3a6n h LEU 51 Ca -0.03 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3a6n h LEU 51 Cb 0.51 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 3a6n h LEU 51 CO 0.01 0.31 0.42 0.00 -0.34 0.00 0.00 178.44 178.85 3a6n h ALA 52 N 1.44 0.95 -0.67 1.25 0.00 -0.57 -0.28 119.26 121.38 3a6n h ALA 52 Ca 0.37 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 3a6n h ALA 52 Cb 0.37 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3a6n h ALA 52 CO -0.26 0.44 0.19 0.00 0.00 0.00 0.00 179.25 179.62 3a6n h ALA 53 N 1.22 1.06 -0.42 0.00 0.00 0.38 -0.17 119.26 121.33 3a6n h ALA 53 Ca 0.26 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3a6n h ALA 53 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3a6n h ALA 53 CO -0.05 0.63 -0.26 0.28 0.00 0.00 0.00 179.25 179.86 3a6n h VAL 54 N 1.00 1.27 -0.18 0.00 2.07 -0.43 -1.08 116.25 118.90 3a6n h VAL 54 Ca 0.22 -1.41 -0.04 0.00 0.82 0.00 0.00 66.70 66.29 3a6n h VAL 54 Cb 0.32 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3a6n h VAL 54 CO -0.00 0.47 -0.06 -0.07 0.02 0.00 0.00 177.57 177.93 3a6n h LEU 55 N 0.75 0.37 -0.60 2.57 3.38 -0.74 -2.46 115.31 118.58 3a6n h LEU 55 Ca 0.09 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 3a6n h LEU 55 Cb 0.81 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3a6n h LEU 55 CO 0.07 0.67 0.37 -0.08 0.09 0.00 0.00 178.44 179.55 3a6n h GLU 56 N 0.07 0.81 0.00 1.13 4.81 -0.99 -1.61 114.58 118.80 3a6n h GLU 56 Ca 0.04 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3a6n h GLU 56 Cb 0.51 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3a6n h GLU 56 CO 0.02 0.58 -0.04 -0.92 -0.73 0.00 0.00 179.01 177.92 3a6n h TYR 57 N 0.81 -0.09 -0.24 0.92 3.20 -1.15 0.10 116.97 120.53 3a6n h TYR 57 Ca 0.22 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 3a6n h TYR 57 Cb -0.03 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 3a6n h TYR 57 CO -0.02 -0.06 -0.00 -0.07 -1.64 0.00 0.00 178.16 176.37 3a6n h LEU 58 N -0.07 0.32 -0.59 2.82 3.38 -1.29 -0.90 115.31 118.98 3a6n h LEU 58 Ca 0.01 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 3a6n h LEU 58 Cb 0.08 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3a6n h LEU 58 CO -0.03 0.38 0.04 0.74 0.09 0.00 0.00 178.44 179.66 3a6n h THR 59 N 0.34 1.26 -0.51 0.22 2.02 -0.85 -1.94 112.91 113.45 3a6n h THR 59 Ca 0.08 -1.08 -0.13 0.00 0.77 0.00 0.00 66.41 66.06 3a6n h THR 59 Cb 0.24 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 3a6n h THR 59 CO 0.01 0.39 -0.18 0.00 0.37 0.00 0.00 175.52 176.11 3a6n h ALA 60 N 0.99 0.71 -0.01 6.16 0.00 -0.03 -1.49 119.26 125.59 3a6n h ALA 60 Ca 0.17 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.72 3a6n h ALA 60 Cb 0.50 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3a6n h ALA 60 CO 0.02 0.67 -0.11 1.49 0.00 0.00 0.00 179.25 181.32 3a6n h GLU 61 N 0.89 -0.18 0.03 0.00 4.57 -1.01 0.16 114.58 119.04 3a6n h GLU 61 Ca 0.12 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 3a6n h GLU 61 Cb 0.76 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.39 3a6n h GLU 61 CO 0.06 -0.12 -0.02 0.82 -1.18 0.00 0.00 179.01 178.57 3a6n h ILE 62 N -0.19 1.11 -0.99 2.32 2.04 -1.31 -2.26 117.51 118.23 3a6n h ILE 62 Ca 0.05 -0.46 0.10 0.00 1.00 0.00 0.00 64.86 65.54 3a6n h ILE 62 Cb 0.25 1.42 -0.08 0.00 -0.74 0.00 0.00 36.82 37.67 3a6n h ILE 62 CO -0.12 0.12 0.63 -0.07 0.00 0.00 0.00 178.15 178.71 3a6n h LEU 63 N -0.25 0.96 0.65 1.44 3.38 -1.11 0.30 115.31 120.69 3a6n h LEU 63 Ca -0.00 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3a6n h LEU 63 Cb 0.23 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3a6n h LEU 63 CO 0.01 0.56 -0.36 -0.08 0.09 0.00 0.00 178.44 178.66 3a6n h GLU 64 N 1.06 -0.91 -0.50 1.13 4.57 -0.55 0.83 114.58 120.21 3a6n h GLU 64 Ca 0.46 0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.66 3a6n h GLU 64 Cb 0.35 0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 3a6n h GLU 64 CO -0.22 -0.60 0.12 -0.07 -1.18 0.00 0.00 179.01 177.06 3a6n h LEU 65 N -0.94 0.71 -0.41 1.64 3.38 -0.94 -1.35 115.31 117.40 3a6n h LEU 65 Ca -0.08 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.59 3a6n h LEU 65 Cb 0.75 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3a6n h LEU 65 CO 0.11 0.70 -0.78 0.00 0.09 0.00 0.00 178.44 178.56 3a6n h ALA 66 N 1.40 0.63 -0.45 1.53 0.00 -0.27 -1.00 119.26 121.10 3a6n h ALA 66 Ca 0.17 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3a6n h ALA 66 Cb 0.27 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3a6n h ALA 66 CO -0.00 0.85 0.25 0.78 0.00 0.00 0.00 179.25 181.13 3a6n h GLY 67 N 1.72 0.68 0.96 0.00 0.00 0.12 -0.15 103.07 106.40 3a6n h GLY 67 Ca -0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 3a6n h GLY 67 CO 0.12 0.29 0.19 3.43 0.00 0.00 0.00 176.54 180.58 3a6n h ASN 68 N 0.60 0.43 -0.94 0.19 2.35 -1.05 -1.39 115.58 115.77 3a6n h ASN 68 Ca 0.16 -0.08 0.12 0.00 -0.55 0.00 0.00 56.30 55.95 3a6n h ASN 68 Cb 0.05 -0.11 -0.07 0.00 0.05 0.00 0.00 38.32 38.24 3a6n h ASN 68 CO -0.03 0.39 0.60 0.00 -1.65 0.00 0.00 177.43 176.74 3a6n h ALA 69 N 1.06 1.65 0.33 -0.83 0.00 -0.72 0.12 119.26 120.87 3a6n h ALA 69 Ca 0.12 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3a6n h ALA 69 Cb 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3a6n h ALA 69 CO -0.02 0.13 -0.16 0.00 0.00 0.00 0.00 179.25 179.20 3a6n h ALA 70 N 1.56 -0.44 -0.43 0.00 0.00 -0.27 -3.05 119.26 116.62 3a6n h ALA 70 Ca 0.46 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.29 3a6n h ALA 70 Cb 0.53 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 3a6n h ALA 70 CO -0.22 -0.64 -0.08 -0.09 0.00 0.00 0.00 179.25 178.22 3a6n h ARG 71 N -0.66 0.03 0.00 0.00 2.43 -0.39 0.20 114.38 115.99 3a6n h ARG 71 Ca -0.05 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3a6n h ARG 71 Cb 0.47 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3a6n h ARG 71 CO 0.07 0.02 0.00 -0.25 -1.51 0.00 0.00 179.97 178.30 3a6n n ASP 72 N -5.29 0.00 0.00 -3.80 8.00 0.32 -0.31 116.55 115.47 3a6n n ASP 72 Ca 0.03 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.41 3a6n n ASP 72 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 3a6n n ASP 72 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3a6n n ASN 73 N -0.98 1.89 -2.11 -2.24 4.05 0.62 -4.97 115.26 111.53 3a6n n ASN 73 Ca 0.03 -1.93 -0.18 0.00 0.45 0.00 0.00 54.58 52.95 3a6n n ASN 73 Cb 0.01 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.02 3a6n n ASN 73 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 3a6n n LYS 74 N -0.46 -2.02 -4.74 1.20 5.02 0.58 -4.99 118.16 112.74 3a6n n LYS 74 Ca 0.00 0.82 -0.30 0.00 -2.02 0.00 0.00 58.31 56.81 3a6n n LYS 74 Cb 0.25 -5.31 -0.14 0.00 -0.02 0.00 0.00 35.03 29.81 3a6n n LYS 74 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3a6n s LYS 75 N -5.01 1.73 -0.01 1.97 3.01 -0.68 -5.02 119.74 115.73 3a6n s LYS 75 Ca 0.06 -1.16 0.12 0.00 -1.01 0.00 0.00 55.97 53.98 3a6n s LYS 75 Cb -0.03 -1.98 -0.15 0.00 -1.01 0.00 0.00 37.83 34.66 3a6n s LYS 75 CO 0.07 0.50 0.43 0.25 0.51 0.00 0.00 175.35 177.11 3a6n n THR 76 N 1.51 0.00 -3.83 2.17 -2.24 -1.26 -3.01 114.28 107.62 3a6n n THR 76 Ca -0.17 -0.24 -0.36 0.00 -2.27 0.00 0.00 64.05 61.01 3a6n n THR 76 Cb 0.52 0.73 -0.13 0.00 -2.10 0.00 0.00 70.33 69.35 3a6n n THR 76 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3a6n s ARG 77 N -2.40 3.45 0.12 -0.78 3.52 -1.26 -5.02 118.95 116.59 3a6n s ARG 77 Ca 0.01 -0.59 -0.31 0.00 -0.13 0.00 0.00 55.73 54.71 3a6n s ARG 77 Cb 0.09 -3.17 -0.09 0.00 -1.56 0.00 0.00 34.95 30.22 3a6n s ARG 77 CO 0.51 -0.22 1.48 0.42 -0.81 0.00 0.00 175.30 176.68 3a6n s ILE 78 N 1.53 3.05 0.44 4.11 1.01 -1.26 -4.98 121.20 125.11 3a6n s ILE 78 Ca 0.06 0.72 0.03 0.00 0.00 0.00 0.00 60.65 61.46 3a6n s ILE 78 Cb -0.15 -3.46 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 3a6n s ILE 78 CO 0.00 0.05 0.05 0.27 0.00 0.00 0.00 174.94 175.31 3a6n s ILE 79 N 1.35 1.05 0.23 2.92 -4.36 -1.26 -5.03 121.20 116.11 3a6n s ILE 79 Ca 0.67 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 59.00 3a6n s ILE 79 Cb -0.39 -2.38 0.20 0.00 1.25 0.00 0.00 42.46 41.14 3a6n s ILE 79 CO 0.31 0.00 1.70 -0.65 0.24 0.00 0.00 174.94 176.53 3a6n h PRO 80 N 1.63 0.28 -0.88 0.37 0.11 -1.89 -1.48 132.00 130.14 3a6n h PRO 80 Ca -0.41 -0.02 0.19 0.00 0.11 0.00 0.00 66.00 65.88 3a6n h PRO 80 Cb 1.29 -0.06 -0.11 0.00 0.11 0.00 0.00 31.00 32.22 3a6n h PRO 80 CO 0.68 0.18 0.43 -0.09 -0.21 0.00 0.00 178.00 179.00 3a6n h ARG 81 N 0.29 0.51 -0.32 1.05 1.12 -1.80 0.58 114.38 115.81 3a6n h ARG 81 Ca 0.37 -0.03 -0.08 0.00 -1.11 0.00 0.00 59.98 59.13 3a6n h ARG 81 Cb 0.60 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.43 3a6n h ARG 81 CO -0.46 0.34 -0.11 0.45 -3.11 0.00 0.00 179.97 177.08 3a6n h HIS 82 N 0.52 0.73 -0.27 2.20 3.86 -1.62 -0.15 115.15 120.42 3a6n h HIS 82 Ca 0.52 -0.17 -0.06 0.00 -1.16 0.00 0.00 60.37 59.50 3a6n h HIS 82 Cb 0.88 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.16 3a6n h HIS 82 CO -0.10 0.84 -0.09 -0.07 0.86 0.00 0.00 177.93 179.37 3a6n h LEU 83 N 0.42 0.42 -0.11 2.43 3.38 -0.99 0.29 115.31 121.16 3a6n h LEU 83 Ca 0.08 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3a6n h LEU 83 Cb 0.62 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3a6n h LEU 83 CO 0.04 0.55 -0.06 -0.61 0.09 0.00 0.00 178.44 178.45 3a6n h GLN 84 N 0.41 0.23 -0.17 1.13 5.75 -0.66 -1.56 115.11 120.23 3a6n h GLN 84 Ca 0.08 -0.10 -0.09 0.00 -0.15 0.00 0.00 58.65 58.38 3a6n h GLN 84 Cb 0.41 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 3a6n h GLN 84 CO 0.02 0.59 -0.31 -0.07 -2.65 0.00 0.00 178.83 176.42 3a6n h LEU 85 N -0.14 0.35 0.13 -2.39 3.38 -0.74 -1.21 115.31 114.69 3a6n h LEU 85 Ca 0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3a6n h LEU 85 Cb 0.53 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3a6n h LEU 85 CO 0.02 0.65 -0.06 0.00 0.09 0.00 0.00 178.44 179.13 3a6n h ALA 86 N 1.38 -0.18 0.55 1.53 0.00 -0.87 -2.29 119.26 119.39 3a6n h ALA 86 Ca 0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3a6n h ALA 86 Cb 0.70 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.56 3a6n h ALA 86 CO 0.05 -0.54 -0.27 0.82 0.00 0.00 0.00 179.25 179.32 3a6n h ILE 87 N -0.31 0.41 0.00 0.00 2.04 -1.10 -2.93 117.51 115.63 3a6n h ILE 87 Ca -0.02 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 3a6n h ILE 87 Cb 0.24 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3a6n h ILE 87 CO 0.03 0.03 -0.17 0.03 0.00 0.00 0.00 178.15 178.07 3a6n h ARG 88 N -0.88 0.00 -0.01 2.37 2.47 -1.31 -1.76 114.38 115.27 3a6n h ARG 88 Ca -0.08 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 3a6n h ARG 88 Cb 0.62 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 3a6n h ARG 88 CO 0.12 0.17 -0.01 0.09 0.56 0.00 0.00 179.97 180.90 3a6n n ASN 89 N -3.90 0.57 -4.19 7.04 3.02 -0.86 -4.67 115.26 112.27 3a6n n ASN 89 Ca -0.02 -1.12 -0.34 0.00 -0.03 0.00 0.00 54.58 53.07 3a6n n ASN 89 Cb 0.26 -0.01 -0.15 0.00 -0.61 0.00 0.00 39.78 39.27 3a6n n ASN 89 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3a6n s ASP 90 N -2.06 4.09 0.16 6.41 2.15 -0.67 -5.03 116.67 121.72 3a6n s ASP 90 Ca 0.42 -0.82 -0.18 0.00 0.43 0.00 0.00 52.55 52.41 3a6n s ASP 90 Cb 0.21 -1.63 0.08 0.00 -0.30 0.00 0.00 42.92 41.29 3a6n s ASP 90 CO 0.37 -0.10 1.67 -0.08 -0.17 0.00 0.00 175.17 176.86 3a6n h GLU 91 N 7.99 -0.02 -0.28 4.34 4.81 -1.83 0.19 114.58 129.78 3a6n h GLU 91 Ca -0.35 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.79 3a6n h GLU 91 Cb 1.11 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 3a6n h GLU 91 CO 0.58 -0.01 -0.20 0.93 -0.73 0.00 0.00 179.01 179.58 3a6n h GLU 92 N -0.02 0.62 -0.68 1.92 5.08 -1.96 -0.85 114.58 118.69 3a6n h GLU 92 Ca 0.18 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 3a6n h GLU 92 Cb 0.30 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3a6n h GLU 92 CO -0.40 0.89 0.17 -0.07 -1.00 0.00 0.00 179.01 178.60 3a6n h LEU 93 N 0.36 1.00 -0.48 1.33 3.38 -1.79 -0.72 115.31 118.39 3a6n h LEU 93 Ca 0.05 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.83 3a6n h LEU 93 Cb 0.74 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3a6n h LEU 93 CO 0.05 0.96 0.31 -1.13 0.09 0.00 0.00 178.44 178.72 3a6n h ASN 94 N 1.02 0.52 -0.28 -0.43 -1.24 -0.47 0.11 115.58 114.80 3a6n h ASN 94 Ca 0.22 -0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.19 3a6n h ASN 94 Cb 0.35 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.26 3a6n h ASN 94 CO -0.00 0.37 0.05 0.50 -1.29 0.00 0.00 177.43 177.07 3a6n h LYS 95 N 0.62 0.46 -0.41 6.67 3.64 -0.77 -0.12 116.57 126.67 3a6n h LYS 95 Ca 0.18 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3a6n h LYS 95 Cb -0.04 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3a6n h LYS 95 CO -0.06 0.56 0.27 1.25 -2.27 0.00 0.00 179.45 179.21 3a6n h LEU 96 N 0.29 0.39 -3.30 5.20 5.85 -0.63 -2.43 115.31 120.69 3a6n h LEU 96 Ca 0.09 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.65 3a6n h LEU 96 Cb 0.32 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.17 3a6n h LEU 96 CO 0.00 0.27 -0.15 0.18 -0.34 0.00 0.00 178.44 178.41 3a6n n LEU 97 N -4.48 3.90 0.16 2.25 4.77 0.33 -4.73 117.00 119.20 3a6n n LEU 97 Ca 0.04 -3.80 0.06 0.00 -0.03 0.00 0.00 56.01 52.28 3a6n n LEU 97 Cb 0.13 -0.62 0.54 0.00 -2.33 0.00 0.00 43.42 41.14 3a6n n LEU 97 CO 0.35 1.28 1.08 1.23 -1.33 0.00 0.00 177.39 180.00 3a6n h GLY 98 N 1.01 0.21 -2.28 -0.72 0.00 -0.50 -1.63 103.07 99.16 3a6n h GLY 98 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3a6n h GLY 98 CO 0.33 0.08 0.00 0.54 0.00 0.00 0.00 176.54 177.49 3a6n n ARG 99 N -4.48 2.46 -4.10 4.80 3.00 -1.26 -4.93 116.66 112.15 3a6n n ARG 99 Ca -0.01 -2.25 -0.36 0.00 -0.01 0.00 0.00 57.85 55.22 3a6n n ARG 99 Cb 0.10 -1.50 -0.08 0.00 0.00 0.00 0.00 32.46 30.98 3a6n n ARG 99 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3a6n s VAL 100 N -1.25 4.89 -0.20 1.55 1.01 -0.61 -5.09 120.40 120.69 3a6n s VAL 100 Ca 0.42 -0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.35 3a6n s VAL 100 Cb 0.22 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 3a6n s VAL 100 CO 0.30 0.58 -0.06 0.28 0.00 0.00 0.00 175.10 176.19 3a6n s THR 101 N -0.63 3.33 -0.46 3.92 -1.32 -1.26 -5.03 115.64 114.18 3a6n s THR 101 Ca 0.11 -0.52 -0.24 0.00 -1.21 0.00 0.00 61.69 59.84 3a6n s THR 101 Cb -0.12 -2.49 0.03 0.00 -1.51 0.00 0.00 72.50 68.41 3a6n s THR 101 CO 0.02 0.45 0.85 -0.63 -2.21 0.00 0.00 174.62 173.10 3a6n s ILE 102 N 1.21 4.56 0.29 5.08 1.09 -1.26 -5.01 121.20 127.16 3a6n s ILE 102 Ca 0.02 0.54 -0.29 0.00 -1.10 0.00 0.00 60.65 59.83 3a6n s ILE 102 Cb -0.14 -4.38 -0.13 0.00 -1.06 0.00 0.00 42.46 36.74 3a6n s ILE 102 CO -0.02 -0.79 1.22 0.00 -0.10 0.00 0.00 174.94 175.25 3a6n n ALA 103 N 6.94 0.63 -1.24 9.38 0.00 -1.26 -1.32 120.51 133.65 3a6n n ALA 103 Ca 0.04 0.39 -0.08 0.00 0.00 0.00 0.00 53.44 53.78 3a6n n ALA 103 Cb 0.48 -2.17 -0.04 0.00 0.00 0.00 0.00 19.45 17.73 3a6n n ALA 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3a6n n GLN 104 N 0.99 -1.61 0.11 0.00 1.13 -1.26 -4.85 117.38 111.88 3a6n n GLN 104 Ca 0.08 0.77 0.12 0.00 -1.94 0.00 0.00 57.00 56.03 3a6n n GLN 104 Cb 0.33 -5.11 0.05 0.00 0.11 0.00 0.00 30.24 25.62 3a6n n GLN 104 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 3a6n h GLY 105 N 0.00 0.00 0.00 1.08 0.00 -1.45 -3.31 103.07 99.40 3a6n h GLY 105 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3a6n h GLY 105 CO 0.25 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.40 3a6n n GLY 106 N 1.20 -0.47 3.46 4.60 0.00 -1.26 -4.54 105.19 108.19 3a6n n GLY 106 Ca 0.01 -1.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.75 3a6n n GLY 106 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3a6n s VAL 107 N 0.00 2.27 0.10 1.61 -7.23 -1.26 -5.00 120.40 110.89 3a6n s VAL 107 Ca 0.00 -2.33 -0.31 0.00 -1.81 0.00 0.00 61.98 57.53 3a6n s VAL 107 Cb 0.00 -2.32 -0.07 0.00 0.56 0.00 0.00 36.38 34.55 3a6n s VAL 107 CO 0.00 -0.40 1.30 -0.76 -0.31 0.00 0.00 175.10 174.93 3a6n s LEU 108 N -3.49 4.38 0.20 1.32 1.43 -1.26 -4.93 118.68 116.33 3a6n s LEU 108 Ca 0.29 2.20 -0.32 0.00 -1.03 0.00 0.00 54.13 55.26 3a6n s LEU 108 Cb -0.03 -3.59 -0.13 0.00 0.03 0.00 0.00 46.19 42.48 3a6n s LEU 108 CO 0.14 -0.56 1.63 -0.81 0.23 0.00 0.00 176.35 176.98 3a6n n PRO 109 N 3.81 2.48 -3.26 1.29 -0.04 -1.26 -4.94 135.00 133.09 3a6n n PRO 109 Ca 0.10 0.89 0.03 0.00 -0.04 0.00 0.00 63.50 64.49 3a6n n PRO 109 Cb 0.44 -2.69 -0.02 0.00 -0.04 0.00 0.00 33.50 31.19 3a6n n PRO 109 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3a6n s ASN 110 N 0.92 -0.77 -0.23 3.54 2.47 -1.26 -5.14 114.94 114.47 3a6n s ASN 110 Ca 0.75 0.67 0.00 0.00 0.42 0.00 0.00 52.86 54.69 3a6n s ASN 110 Cb -0.58 1.72 0.03 0.00 -1.45 0.00 0.00 41.25 40.97 3a6n s ASN 110 CO 0.38 -0.15 -0.11 -0.63 -3.72 0.00 0.00 177.10 172.87 3a6n s ILE 111 N 2.78 2.48 0.03 -5.21 1.01 -1.26 -5.09 121.20 115.94 3a6n s ILE 111 Ca 0.04 -1.11 -0.37 0.00 0.00 0.00 0.00 60.65 59.20 3a6n s ILE 111 Cb -0.10 -2.24 -0.16 0.00 0.01 0.00 0.00 42.46 39.97 3a6n s ILE 111 CO -0.16 0.26 1.44 0.00 0.00 0.00 0.00 174.94 176.48 3a6n n GLN 112 N 4.61 1.24 -0.32 2.79 1.13 -1.26 -4.85 117.38 120.71 3a6n n GLN 112 Ca -0.17 0.45 0.18 0.00 -1.94 0.00 0.00 57.00 55.51 3a6n n GLN 112 Cb 0.47 -2.11 0.38 0.00 0.11 0.00 0.00 30.24 29.09 3a6n n GLN 112 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3a6n h ALA 113 N 5.20 1.68 0.00 -1.58 0.00 -1.98 0.21 119.26 122.80 3a6n h ALA 113 Ca -0.47 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3a6n h ALA 113 Cb 1.33 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3a6n h ALA 113 CO 0.82 -0.41 0.00 0.28 0.00 0.00 0.00 179.25 179.94 3a6n h VAL 114 N 0.40 0.00 0.00 0.00 2.07 -2.00 -2.01 116.25 114.71 3a6n h VAL 114 Ca 0.64 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 68.10 3a6n h VAL 114 Cb 1.32 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 3a6n h VAL 114 CO -0.56 0.00 -0.85 0.18 0.02 0.00 0.00 177.57 176.36 3a6n n LEU 115 N -2.43 0.71 -4.84 2.57 4.77 0.74 -4.92 117.00 113.61 3a6n n LEU 115 Ca -0.01 0.20 -0.32 0.00 -0.03 0.00 0.00 56.01 55.84 3a6n n LEU 115 Cb 0.09 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 3a6n n LEU 115 CO 0.14 -0.07 0.67 -0.76 -1.33 0.00 0.00 177.39 176.04 3a6n s LEU 116 N -4.49 3.68 0.00 2.23 1.43 -0.76 -5.07 118.68 115.70 3a6n s LEU 116 Ca 0.03 1.59 0.00 0.00 -1.03 0.00 0.00 54.13 54.72 3a6n s LEU 116 Cb 0.12 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.84 3a6n s LEU 116 CO 0.76 -0.55 0.00 -2.65 0.23 0.00 0.00 176.35 174.14 3a6n n PRO 117 N -1.42 3.21 -0.84 1.29 -0.02 -1.26 -5.06 135.00 130.90 3a6n n PRO 117 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3a6n n PRO 117 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 3a6n n PRO 117 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65