#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ieq n ASP 2 N 0.00 5.20 -4.81 7.83 2.03 -1.26 -5.00 116.55 120.54 3ieq n ASP 2 Ca 0.00 -3.11 -0.35 0.00 0.52 0.00 0.00 54.79 51.86 3ieq n ASP 2 Cb 0.00 -1.48 -0.07 0.00 -0.72 0.00 0.00 41.12 38.85 3ieq n ASP 2 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3ieq s PHE 3 N 0.38 3.47 0.02 -0.67 0.08 -1.26 -0.53 117.98 119.46 3ieq s PHE 3 Ca 0.40 1.66 0.00 0.00 0.12 0.00 0.00 56.93 59.11 3ieq s PHE 3 Cb 0.07 -2.86 -0.02 0.00 -0.57 0.00 0.00 43.02 39.64 3ieq s PHE 3 CO 0.01 0.03 -0.03 1.03 -0.10 0.00 0.00 175.22 176.16 3ieq s ARG 4 N -2.72 0.28 0.12 0.44 1.81 -0.34 -4.95 118.95 113.59 3ieq s ARG 4 Ca 0.57 -0.53 0.08 0.00 -1.72 0.00 0.00 55.73 54.13 3ieq s ARG 4 Cb -0.13 0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.41 3ieq s ARG 4 CO 0.17 -0.04 -0.15 0.96 -0.68 0.00 0.00 175.30 175.57 3ieq s ILE 5 N -1.26 3.04 0.10 1.52 -4.36 -1.26 -1.09 121.20 117.89 3ieq s ILE 5 Ca -0.14 -1.43 0.03 0.00 -0.26 0.00 0.00 60.65 58.85 3ieq s ILE 5 Cb -0.09 -2.41 -0.04 0.00 1.25 0.00 0.00 42.46 41.17 3ieq s ILE 5 CO -0.01 0.09 -0.09 -0.83 0.24 0.00 0.00 174.94 174.34 3ieq s GLY 6 N -2.21 0.84 0.06 6.27 0.00 -0.51 -4.00 107.32 107.77 3ieq s GLY 6 Ca 0.20 -1.25 0.03 0.00 0.00 0.00 0.00 44.72 43.69 3ieq s GLY 6 CO 0.12 -1.34 -0.09 -0.86 0.00 0.00 0.00 173.10 170.93 3ieq s GLN 7 N -3.15 0.64 0.03 2.90 1.03 -1.26 -1.47 119.66 118.38 3ieq s GLN 7 Ca 0.08 -0.90 -0.00 0.00 0.04 0.00 0.00 55.36 54.57 3ieq s GLN 7 Cb -0.00 -0.39 -0.03 0.00 0.03 0.00 0.00 33.01 32.62 3ieq s GLN 7 CO -0.01 0.07 -0.03 0.20 -2.54 0.00 0.00 175.29 172.97 3ieq s GLY 8 N -1.88 0.35 -0.02 2.60 0.00 0.36 -3.84 107.32 104.89 3ieq s GLY 8 Ca -0.04 -0.84 -0.01 0.00 0.00 0.00 0.00 44.72 43.83 3ieq s GLY 8 CO 0.00 -0.92 0.04 -0.47 0.00 0.00 0.00 173.10 171.75 3ieq s TYR 9 N -2.36 -0.02 0.01 1.90 5.04 -1.26 -1.45 117.35 119.20 3ieq s TYR 9 Ca -0.07 0.11 -0.14 0.00 -2.44 0.00 0.00 57.07 54.53 3ieq s TYR 9 Cb -0.03 -0.05 0.02 0.00 0.35 0.00 0.00 41.96 42.24 3ieq s TYR 9 CO -0.04 -0.04 0.30 0.34 -1.34 0.00 0.00 175.55 174.77 3ieq s ASP 10 N 0.33 -0.15 -0.02 4.32 2.15 -0.67 -4.66 116.67 117.98 3ieq s ASP 10 Ca -0.03 -0.04 -0.07 0.00 0.43 0.00 0.00 52.55 52.84 3ieq s ASP 10 Cb -0.04 0.32 0.00 0.00 -0.30 0.00 0.00 42.92 42.91 3ieq s ASP 10 CO -0.01 -0.51 0.14 0.54 -0.17 0.00 0.00 175.17 175.16 3ieq s VAL 11 N -1.83 0.06 0.02 1.11 0.11 -1.26 -0.71 120.40 117.89 3ieq s VAL 11 Ca -0.10 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 58.45 3ieq s VAL 11 Cb -0.03 -0.37 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 3ieq s VAL 11 CO 0.01 -0.27 -0.03 -1.00 -3.33 0.00 0.00 175.10 170.48 3ieq s HIS 12 N -0.96 0.28 0.36 1.54 3.76 -0.85 -5.00 115.29 114.41 3ieq s HIS 12 Ca -0.11 -0.52 -0.27 0.00 -0.15 0.00 0.00 55.06 54.01 3ieq s HIS 12 Cb -0.06 -0.20 -0.09 0.00 1.11 0.00 0.00 32.58 33.34 3ieq s HIS 12 CO 0.01 -0.18 1.23 -0.65 -0.85 0.00 0.00 174.74 174.30 3ieq s GLN 13 N -1.46 4.24 -0.39 1.40 -0.21 -1.26 -1.73 119.66 120.26 3ieq s GLN 13 Ca -0.16 2.01 -0.15 0.00 0.02 0.00 0.00 55.36 57.08 3ieq s GLN 13 Cb -0.10 -2.91 0.01 0.00 1.00 0.00 0.00 33.01 31.01 3ieq s GLN 13 CO -0.01 -0.21 0.35 -1.17 -2.12 0.00 0.00 175.29 172.12 3ieq s LEU 14 N -2.07 4.81 0.17 2.90 2.96 -0.43 -0.79 118.68 126.22 3ieq s LEU 14 Ca 0.52 -0.62 0.06 0.00 -0.22 0.00 0.00 54.13 53.87 3ieq s LEU 14 Cb -0.35 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 3ieq s LEU 14 CO 0.46 -0.44 -0.13 0.68 -1.32 0.00 0.00 176.35 175.60 3ieq s VAL 15 N 1.90 1.44 0.79 1.68 -7.23 0.49 -4.78 120.40 114.69 3ieq s VAL 15 Ca 0.09 -2.07 -0.11 0.00 -1.81 0.00 0.00 61.98 58.08 3ieq s VAL 15 Cb -0.18 -1.88 0.07 0.00 0.56 0.00 0.00 36.38 34.96 3ieq s VAL 15 CO 0.12 -0.62 1.11 -2.84 -0.31 0.00 0.00 175.10 172.55 3ieq s PRO 16 N -3.51 2.06 -0.13 4.82 0.02 -1.26 -0.58 135.00 136.42 3ieq s PRO 16 Ca 0.18 1.29 0.00 0.00 0.02 0.00 0.00 61.00 62.49 3ieq s PRO 16 Cb -0.00 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.65 3ieq s PRO 16 CO 0.04 -1.81 0.00 0.41 -0.33 0.00 0.00 177.00 175.31 3ieq n GLY 17 N -0.79 0.50 3.24 0.52 0.00 -1.26 -4.82 105.19 102.58 3ieq n GLY 17 Ca 0.10 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 3ieq n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ieq s ARG 18 N -1.03 1.16 0.38 1.61 1.81 -1.26 -5.01 118.95 116.62 3ieq s ARG 18 Ca 0.00 -1.00 -0.26 0.00 -1.72 0.00 0.00 55.73 52.75 3ieq s ARG 18 Cb 0.00 -1.31 -0.09 0.00 -0.45 0.00 0.00 34.95 33.10 3ieq s ARG 18 CO 0.00 0.32 1.19 -2.14 -0.68 0.00 0.00 175.30 173.99 3ieq s PRO 19 N -1.50 4.15 -0.50 3.54 0.02 -1.26 -2.53 135.00 136.92 3ieq s PRO 19 Ca 0.05 1.91 -0.19 0.00 0.02 0.00 0.00 61.00 62.79 3ieq s PRO 19 Cb -0.09 -2.79 0.05 0.00 0.02 0.00 0.00 34.50 31.69 3ieq s PRO 19 CO 0.03 -0.26 0.61 -1.17 -0.33 0.00 0.00 177.00 175.88 3ieq s LEU 20 N -2.28 4.93 -0.22 -5.54 2.96 -1.26 -3.17 118.68 114.10 3ieq s LEU 20 Ca 0.55 -0.86 0.02 0.00 -0.22 0.00 0.00 54.13 53.61 3ieq s LEU 20 Cb -0.33 -2.46 0.04 0.00 0.50 0.00 0.00 46.19 43.95 3ieq s LEU 20 CO 0.42 -0.87 -0.13 -0.63 -1.32 0.00 0.00 176.35 173.82 3ieq s ILE 21 N 2.61 1.97 -0.06 6.68 1.01 -1.26 -0.62 121.20 131.52 3ieq s ILE 21 Ca 0.15 -1.24 0.00 0.00 0.00 0.00 0.00 60.65 59.56 3ieq s ILE 21 Cb -0.19 -1.98 0.02 0.00 0.01 0.00 0.00 42.46 40.32 3ieq s ILE 21 CO 0.12 0.19 -0.04 -0.63 0.00 0.00 0.00 174.94 174.58 3ieq s ILE 22 N 1.25 0.58 -1.69 2.92 1.01 -0.86 -4.04 121.20 120.37 3ieq s ILE 22 Ca -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.52 3ieq s ILE 22 Cb -0.17 -0.63 0.00 0.00 0.01 0.00 0.00 42.46 41.67 3ieq s ILE 22 CO -0.08 0.26 0.16 0.61 0.00 0.00 0.00 174.94 175.88 3ieq n GLY 23 N 4.44 -0.51 3.06 6.18 0.00 -1.26 -1.73 105.19 115.37 3ieq n GLY 23 Ca -0.18 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3ieq n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ieq n GLY 24 N -1.13 1.00 3.66 -0.02 0.00 -1.26 -4.40 105.19 103.04 3ieq n GLY 24 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 3ieq n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ieq s VAL 25 N -3.80 5.27 -0.40 1.61 1.01 -0.70 -5.05 120.40 118.34 3ieq s VAL 25 Ca 0.00 0.45 -0.29 0.00 0.00 0.00 0.00 61.98 62.14 3ieq s VAL 25 Cb 0.00 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.78 3ieq s VAL 25 CO 0.00 0.28 1.09 -0.89 0.00 0.00 0.00 175.10 175.59 3ieq s THR 26 N 1.29 4.37 -0.22 3.92 2.01 -1.26 -2.02 115.64 123.72 3ieq s THR 26 Ca 0.13 1.46 -0.09 0.00 0.31 0.00 0.00 61.69 63.50 3ieq s THR 26 Cb -0.14 -4.50 -0.04 0.00 0.01 0.00 0.00 72.50 67.82 3ieq s THR 26 CO 0.07 -0.73 0.11 -0.63 -0.69 0.00 0.00 174.62 172.75 3ieq s ILE 27 N 4.01 4.98 -0.16 1.82 1.01 0.21 -5.03 121.20 128.05 3ieq s ILE 27 Ca 0.46 0.04 -0.31 0.00 0.00 0.00 0.00 60.65 60.84 3ieq s ILE 27 Cb -0.10 -3.30 -0.08 0.00 0.01 0.00 0.00 42.46 38.99 3ieq s ILE 27 CO 0.23 0.38 2.09 -2.65 0.00 0.00 0.00 174.94 174.99 3ieq n PRO 28 N 4.17 2.05 -3.54 2.79 -0.02 -1.26 -4.30 135.00 134.89 3ieq n PRO 28 Ca -0.16 0.66 -0.15 0.00 -2.02 0.00 0.00 63.50 61.83 3ieq n PRO 28 Cb 0.52 -2.92 -0.06 0.00 -0.02 0.00 0.00 33.50 31.02 3ieq n PRO 28 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3ieq s TYR 29 N 6.39 -0.56 -0.86 6.00 5.04 -1.26 -5.03 117.35 127.07 3ieq s TYR 29 Ca 0.98 0.97 0.22 0.00 -2.44 0.00 0.00 57.07 56.80 3ieq s TYR 29 Cb -0.53 0.42 0.89 0.00 0.35 0.00 0.00 41.96 43.09 3ieq s TYR 29 CO 0.43 -0.52 1.69 0.39 -1.34 0.00 0.00 175.55 176.20 3ieq n GLU 30 N 0.87 0.07 -4.33 4.97 4.71 -1.26 -4.79 120.64 120.88 3ieq n GLU 30 Ca -0.16 0.21 -0.17 0.00 -0.01 0.00 0.00 57.16 57.03 3ieq n GLU 30 Cb 0.57 -1.62 -0.10 0.00 -1.01 0.00 0.00 31.44 29.29 3ieq n GLU 30 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 3ieq s ARG 31 N -3.08 1.31 0.31 3.49 0.52 -1.26 -4.27 118.95 115.97 3ieq s ARG 31 Ca 0.09 -1.64 0.03 0.00 -0.52 0.00 0.00 55.73 53.69 3ieq s ARG 31 Cb 0.12 -0.73 -0.02 0.00 0.52 0.00 0.00 34.95 34.84 3ieq s ARG 31 CO 0.41 -0.02 0.32 0.20 0.02 0.00 0.00 175.30 176.22 3ieq s GLY 32 N -3.30 1.90 0.05 -3.53 0.00 0.26 -4.11 107.32 98.59 3ieq s GLY 32 Ca 0.26 -1.82 -0.21 0.00 0.00 0.00 0.00 44.72 42.95 3ieq s GLY 32 CO 0.07 -1.30 0.62 1.08 0.00 0.00 0.00 173.10 173.57 3ieq s LEU 33 N -3.29 4.49 -0.21 0.66 1.43 -1.19 -0.38 118.68 120.19 3ieq s LEU 33 Ca 0.37 1.29 -0.15 0.00 -1.03 0.00 0.00 54.13 54.61 3ieq s LEU 33 Cb 0.02 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 3ieq s LEU 33 CO 0.22 0.18 0.36 -0.22 0.23 0.00 0.00 176.35 177.12 3ieq s LEU 34 N -0.68 4.14 0.23 1.79 2.96 0.03 -4.69 118.68 122.45 3ieq s LEU 34 Ca 0.31 0.44 -0.21 0.00 -0.22 0.00 0.00 54.13 54.45 3ieq s LEU 34 Cb -0.20 -2.44 0.07 0.00 0.50 0.00 0.00 46.19 44.12 3ieq s LEU 34 CO 0.20 -0.06 0.98 -0.83 -1.32 0.00 0.00 176.35 175.31 3ieq s GLY 35 N 1.07 0.13 0.06 7.98 0.00 -1.26 -4.31 107.32 110.99 3ieq s GLY 35 Ca 0.17 -0.38 -0.19 0.00 0.00 0.00 0.00 44.72 44.31 3ieq s GLY 35 CO 0.07 1.60 1.41 0.84 0.00 0.00 0.00 173.10 177.02 3ieq h HIS 36 N 2.00 0.46 -1.66 1.90 2.76 -1.91 -3.45 115.15 115.25 3ieq h HIS 36 Ca -0.28 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 57.77 3ieq h HIS 36 Cb 1.23 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.08 3ieq h HIS 36 CO 1.26 0.71 0.00 -1.13 -1.30 0.00 0.00 177.93 177.47 3ieq n SER 37 N -4.57 0.00 0.00 3.26 3.41 -1.23 0.09 113.62 114.58 3ieq n SER 37 Ca -0.05 -0.21 0.03 0.00 -0.26 0.00 0.00 58.87 58.38 3ieq n SER 37 Cb 0.33 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.43 3ieq n SER 37 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3ieq n ASP 38 N -0.64 0.00 -2.21 4.04 5.68 -0.43 -4.29 116.55 118.70 3ieq n ASP 38 Ca 0.00 0.08 -0.18 0.00 -0.50 0.00 0.00 54.79 54.20 3ieq n ASP 38 Cb 0.00 -0.20 0.01 0.00 -1.14 0.00 0.00 41.12 39.79 3ieq n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ieq n ALA 39 N -1.20 -0.64 -2.08 2.12 0.00 -1.26 -4.65 120.51 112.80 3ieq n ALA 39 Ca 0.03 0.19 -0.33 0.00 0.00 0.00 0.00 53.44 53.32 3ieq n ALA 39 Cb 0.04 -2.55 -0.04 0.00 0.00 0.00 0.00 19.45 16.90 3ieq n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ieq s ASP 40 N -2.48 5.30 0.26 0.00 -1.08 -1.26 -4.82 116.67 112.59 3ieq s ASP 40 Ca 0.12 -0.22 -0.05 0.00 -0.52 0.00 0.00 52.55 51.88 3ieq s ASP 40 Cb -0.05 -2.55 0.30 0.00 -1.46 0.00 0.00 42.92 39.16 3ieq s ASP 40 CO 0.14 -2.49 1.94 1.62 0.52 0.00 0.00 175.17 176.90 3ieq h VAL 41 N 7.02 1.25 -0.16 1.11 3.04 -1.91 -1.82 116.25 124.78 3ieq h VAL 41 Ca -0.08 -0.46 -0.03 0.00 -1.01 0.00 0.00 66.70 65.12 3ieq h VAL 41 Cb 1.08 -0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 30.19 3ieq h VAL 41 CO 1.23 0.24 -0.00 0.25 -1.01 0.00 0.00 177.57 178.27 3ieq h LEU 42 N 1.31 0.27 -1.01 3.16 5.85 -1.89 -1.82 115.31 121.18 3ieq h LEU 42 Ca 0.35 -0.32 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 3ieq h LEU 42 Cb -0.15 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 3ieq h LEU 42 CO -0.08 0.52 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.21 3ieq h LEU 43 N 0.02 0.40 -0.48 2.25 3.38 -1.88 -1.55 115.31 117.44 3ieq h LEU 43 Ca 0.04 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 3ieq h LEU 43 Cb 0.39 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3ieq h LEU 43 CO 0.01 0.66 -0.11 0.45 0.09 0.00 0.00 178.44 179.54 3ieq h HIS 44 N 0.35 1.04 -0.61 1.13 3.86 -1.30 -0.18 115.15 119.45 3ieq h HIS 44 Ca 0.05 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 59.03 3ieq h HIS 44 Cb 0.65 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.84 3ieq h HIS 44 CO 0.02 1.00 0.33 0.00 0.86 0.00 0.00 177.93 180.14 3ieq h ALA 45 N 0.89 0.78 -0.48 2.45 0.00 -0.98 -1.27 119.26 120.66 3ieq h ALA 45 Ca 0.12 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3ieq h ALA 45 Cb 0.66 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3ieq h ALA 45 CO 0.05 0.30 -0.15 0.82 0.00 0.00 0.00 179.25 180.27 3ieq h ILE 46 N 0.83 1.27 -0.23 0.00 2.04 -1.13 -1.71 117.51 118.58 3ieq h ILE 46 Ca 0.21 -1.29 0.01 0.00 1.00 0.00 0.00 64.86 64.79 3ieq h ILE 46 Cb 0.05 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3ieq h ILE 46 CO -0.03 0.45 0.13 0.74 0.00 0.00 0.00 178.15 179.43 3ieq h THR 47 N 0.79 1.02 -0.74 -0.27 2.02 -0.95 -1.50 112.91 113.28 3ieq h THR 47 Ca 0.12 -0.09 0.05 0.00 0.77 0.00 0.00 66.41 67.25 3ieq h THR 47 Cb 0.71 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.79 3ieq h THR 47 CO 0.05 0.05 0.45 0.44 0.37 0.00 0.00 175.52 176.88 3ieq h ASP 48 N 0.27 0.70 -0.73 4.18 5.19 -1.11 -1.34 116.42 123.58 3ieq h ASP 48 Ca 0.09 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.49 3ieq h ASP 48 Cb 0.00 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 39.34 3ieq h ASP 48 CO -0.05 0.47 0.36 0.00 -3.12 0.00 0.00 179.24 176.90 3ieq h ALA 49 N 1.35 1.22 -0.03 3.45 0.00 -0.84 -0.95 119.26 123.46 3ieq h ALA 49 Ca 0.32 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3ieq h ALA 49 Cb 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3ieq h ALA 49 CO -0.15 0.60 -0.08 -0.07 0.00 0.00 0.00 179.25 179.55 3ieq h LEU 50 N 1.06 0.11 -1.08 0.00 3.38 -0.82 -1.34 115.31 116.63 3ieq h LEU 50 Ca 0.26 -0.62 0.13 0.00 0.09 0.00 0.00 57.88 57.74 3ieq h LEU 50 Cb 0.10 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.74 3ieq h LEU 50 CO -0.03 0.71 0.62 -0.26 0.09 0.00 0.00 178.44 179.56 3ieq h PHE 51 N -0.48 1.06 -0.36 1.13 0.04 -1.25 -2.37 116.94 114.70 3ieq h PHE 51 Ca -0.00 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.74 3ieq h PHE 51 Cb 0.70 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 3ieq h PHE 51 CO 0.14 0.40 -0.01 0.78 -0.60 0.00 0.00 178.31 179.01 3ieq h GLY 52 N 0.91 0.70 1.53 -1.45 0.00 -1.05 0.23 103.07 103.94 3ieq h GLY 52 Ca 0.49 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3ieq h GLY 52 CO -0.26 0.48 0.24 0.00 0.00 0.00 0.00 176.54 177.01 3ieq h ALA 53 N 0.86 1.58 -0.13 3.60 0.00 -0.95 -2.43 119.26 121.78 3ieq h ALA 53 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ieq h ALA 53 Cb 0.48 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3ieq h ALA 53 CO 0.02 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.62 3ieq n ALA 54 N -2.47 2.53 -3.73 0.00 0.00 -0.92 -4.63 120.51 111.29 3ieq n ALA 54 Ca 0.04 -0.54 -0.22 0.00 0.00 0.00 0.00 53.44 52.72 3ieq n ALA 54 Cb 0.10 -1.08 0.03 0.00 0.00 0.00 0.00 19.45 18.49 3ieq n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ieq n ALA 55 N 0.41 -2.00 -1.14 0.00 0.00 -0.74 -4.93 120.51 112.11 3ieq n ALA 55 Ca 0.17 -0.17 0.05 0.00 0.00 0.00 0.00 53.44 53.49 3ieq n ALA 55 Cb 0.37 -1.95 0.23 0.00 0.00 0.00 0.00 19.45 18.10 3ieq n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ieq n LEU 56 N -4.29 3.75 0.00 0.00 4.77 0.74 -5.02 117.00 116.95 3ieq n LEU 56 Ca -0.29 -3.24 0.00 0.00 -0.03 0.00 0.00 56.01 52.44 3ieq n LEU 56 Cb 0.68 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3ieq n LEU 56 CO 0.69 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 178.20 3ieq n GLY 57 N -0.81 0.44 3.31 -0.72 0.00 -1.26 -4.91 105.19 101.24 3ieq n GLY 57 Ca 0.24 -0.91 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 3ieq n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ieq s ASP 58 N -4.00 1.03 0.28 1.61 1.47 -1.26 -4.03 116.67 111.76 3ieq s ASP 58 Ca 0.00 -1.57 -0.03 0.00 1.18 0.00 0.00 52.55 52.13 3ieq s ASP 58 Cb 0.00 0.52 0.39 0.00 -0.34 0.00 0.00 42.92 43.49 3ieq s ASP 58 CO 0.00 -1.04 1.93 -0.29 0.68 0.00 0.00 175.17 176.45 3ieq h ILE 59 N 2.28 1.17 -0.44 2.11 2.10 -1.90 -2.36 117.51 120.47 3ieq h ILE 59 Ca -0.29 -0.41 -0.08 0.00 1.08 0.00 0.00 64.86 65.17 3ieq h ILE 59 Cb 1.24 -0.13 -0.02 0.00 -1.09 0.00 0.00 36.82 36.82 3ieq h ILE 59 CO 0.42 0.22 -0.04 1.23 -1.08 0.00 0.00 178.15 178.90 3ieq h GLY 60 N 1.20 0.80 0.91 8.18 0.00 -1.98 0.31 103.07 112.49 3ieq h GLY 60 Ca 0.37 -0.55 0.05 0.00 0.00 0.00 0.00 47.33 47.20 3ieq h GLY 60 CO -0.11 0.51 0.59 -0.09 0.00 0.00 0.00 176.54 177.44 3ieq h ARG 61 N 0.69 1.05 0.08 4.80 2.43 -1.82 -3.16 114.38 118.45 3ieq h ARG 61 Ca 0.13 -0.06 -0.33 0.00 -0.81 0.00 0.00 59.98 58.91 3ieq h ARG 61 Cb 0.48 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 3ieq h ARG 61 CO 0.02 0.69 -1.82 0.45 -1.51 0.00 0.00 179.97 177.81 3ieq h HIS 62 N 1.08 0.29 -2.82 2.20 3.86 -1.35 -3.43 115.15 114.98 3ieq h HIS 62 Ca 0.38 -0.21 -0.60 0.00 -1.16 0.00 0.00 60.37 58.77 3ieq h HIS 62 Cb 0.12 -0.01 -0.40 0.00 1.06 0.00 0.00 27.41 28.18 3ieq h HIS 62 CO -0.00 1.42 -0.77 -0.06 0.86 0.00 0.00 177.93 179.38 3ieq s PHE 63 N -2.58 1.96 -0.08 2.45 0.08 0.10 -5.09 117.98 114.81 3ieq s PHE 63 Ca -0.14 -2.51 -0.38 0.00 0.12 0.00 0.00 56.93 54.02 3ieq s PHE 63 Cb 0.07 -1.72 -0.16 0.00 -0.57 0.00 0.00 43.02 40.64 3ieq s PHE 63 CO 0.80 -0.75 1.51 0.45 -0.10 0.00 0.00 175.22 177.13 3ieq n SER 64 N 3.11 1.91 0.32 1.36 2.88 -1.20 -4.40 113.62 117.60 3ieq n SER 64 Ca 0.16 1.10 0.19 0.00 -1.33 0.00 0.00 58.87 59.00 3ieq n SER 64 Cb 0.38 -1.16 1.03 0.00 -0.75 0.00 0.00 64.21 63.71 3ieq n SER 64 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 3ieq h ASP 65 N 5.66 0.00 0.00 -3.46 1.82 -1.92 -2.82 116.42 115.70 3ieq h ASP 65 Ca -0.47 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.17 3ieq h ASP 65 Cb 1.33 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.34 3ieq h ASP 65 CO 0.86 0.00 0.00 0.35 -1.61 0.00 0.00 179.24 178.84 3ieq n THR 66 N -2.93 0.00 -2.30 2.25 -2.24 -1.26 -4.82 114.28 102.97 3ieq n THR 66 Ca -0.03 -0.49 -0.43 0.00 -2.27 0.00 0.00 64.05 60.83 3ieq n THR 66 Cb 0.18 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.40 3ieq n THR 66 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ieq s ASP 67 N -0.10 6.72 0.62 3.42 -1.08 -1.07 -4.90 116.67 120.28 3ieq s ASP 67 Ca 0.00 1.64 0.30 0.00 -0.52 0.00 0.00 52.55 53.96 3ieq s ASP 67 Cb 0.00 -2.54 1.60 0.00 -1.46 0.00 0.00 42.92 40.52 3ieq s ASP 67 CO 0.00 -0.97 1.96 1.55 0.52 0.00 0.00 175.17 178.23 3ieq h PRO 68 N 9.20 0.00 0.00 4.34 0.13 -1.94 -0.24 132.00 143.49 3ieq h PRO 68 Ca -0.30 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 3ieq h PRO 68 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 3ieq h PRO 68 CO 0.99 0.00 -0.06 0.07 -0.23 0.00 0.00 178.00 178.77 3ieq h ARG 69 N 0.00 0.00 -0.69 0.86 0.11 -1.95 -2.45 114.38 110.26 3ieq h ARG 69 Ca 0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.18 3ieq h ARG 69 Cb 0.81 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.89 3ieq h ARG 69 CO -0.00 0.06 0.00 1.19 0.10 0.00 0.00 179.97 181.32 3ieq n PHE 70 N -3.29 1.22 -2.11 4.08 3.72 -0.10 -4.77 117.46 116.21 3ieq n PHE 70 Ca -0.01 -0.53 -0.42 0.00 -0.05 0.00 0.00 57.45 56.43 3ieq n PHE 70 Cb 0.25 -0.12 -0.03 0.00 -0.94 0.00 0.00 39.48 38.65 3ieq n PHE 70 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3ieq s LYS 71 N -1.44 4.21 -0.99 -1.08 3.01 -0.92 -1.66 119.74 120.87 3ieq s LYS 71 Ca 0.49 2.08 0.00 0.00 -1.01 0.00 0.00 55.97 57.53 3ieq s LYS 71 Cb 0.29 -3.85 0.00 0.00 -1.01 0.00 0.00 37.83 33.25 3ieq s LYS 71 CO 0.29 -0.77 0.00 0.41 0.51 0.00 0.00 175.35 175.78 3ieq n GLY 72 N 3.96 0.95 3.65 -3.33 0.00 0.11 -4.93 105.19 105.60 3ieq n GLY 72 Ca 0.16 -0.08 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 3ieq n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ieq n ALA 73 N 1.17 0.58 -2.15 4.61 0.00 -0.67 -4.06 120.51 120.00 3ieq n ALA 73 Ca -0.09 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.30 3ieq n ALA 73 Cb 0.51 -2.15 -0.02 0.00 0.00 0.00 0.00 19.45 17.79 3ieq n ALA 73 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ieq s ASP 74 N -0.35 6.25 0.37 0.00 -1.08 -1.26 -1.32 116.67 119.29 3ieq s ASP 74 Ca 0.59 1.36 0.28 0.00 -0.52 0.00 0.00 52.55 54.25 3ieq s ASP 74 Cb -0.64 -2.53 1.18 0.00 -1.46 0.00 0.00 42.92 39.46 3ieq s ASP 74 CO 0.60 -1.41 1.83 0.28 0.52 0.00 0.00 175.17 176.99 3ieq h SER 75 N 11.23 0.00 -0.34 -0.34 0.02 -1.96 -2.49 113.55 119.66 3ieq h SER 75 Ca -0.32 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.51 3ieq h SER 75 Cb 1.14 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 3ieq h SER 75 CO 1.03 0.00 -0.25 0.03 -1.14 0.00 0.00 176.83 176.50 3ieq h ARG 76 N 0.00 0.78 -0.67 3.45 3.08 -1.98 -0.04 114.38 119.00 3ieq h ARG 76 Ca 0.00 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.68 3ieq h ARG 76 Cb 0.38 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 3ieq h ARG 76 CO 0.00 1.00 0.43 0.00 -1.07 0.00 0.00 179.97 180.33 3ieq h ALA 77 N 0.76 1.49 -0.35 0.04 0.00 -1.86 0.32 119.26 119.66 3ieq h ALA 77 Ca 0.07 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3ieq h ALA 77 Cb 0.81 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3ieq h ALA 77 CO 0.07 0.46 -0.09 -0.07 0.00 0.00 0.00 179.25 179.62 3ieq h LEU 78 N 0.92 0.68 -0.76 0.00 3.38 -1.38 -1.47 115.31 116.67 3ieq h LEU 78 Ca 0.24 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3ieq h LEU 78 Cb -0.08 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 3ieq h LEU 78 CO -0.05 0.89 0.44 0.25 0.09 0.00 0.00 178.44 180.06 3ieq h LEU 79 N 0.46 0.94 -1.02 1.67 5.85 -0.58 -0.12 115.31 122.50 3ieq h LEU 79 Ca 0.09 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 3ieq h LEU 79 Cb 0.59 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3ieq h LEU 79 CO 0.03 0.74 0.08 0.03 -0.34 0.00 0.00 178.44 178.99 3ieq h ARG 80 N 1.05 0.79 -0.26 1.25 3.08 -0.80 -1.04 114.38 118.44 3ieq h ARG 80 Ca 0.27 -0.17 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 3ieq h ARG 80 Cb -0.00 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 3ieq h ARG 80 CO -0.05 0.74 -0.36 1.49 -1.07 0.00 0.00 179.97 180.72 3ieq h GLU 81 N 0.75 0.70 -0.38 0.04 4.57 -0.84 -1.67 114.58 117.75 3ieq h GLU 81 Ca 0.16 -0.41 0.08 0.00 -1.18 0.00 0.00 59.36 58.01 3ieq h GLU 81 Cb 0.34 0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 28.88 3ieq h GLU 81 CO 0.01 1.03 -0.19 0.00 -1.18 0.00 0.00 179.01 178.67 3ieq h ALA 83 N 1.14 1.17 -0.69 0.00 0.00 -1.06 0.16 119.26 119.98 3ieq h ALA 83 Ca 0.19 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3ieq h ALA 83 Cb 0.42 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3ieq h ALA 83 CO -0.46 0.57 0.31 1.03 0.00 0.00 0.00 179.25 180.69 3ieq h SER 84 N 0.88 0.93 -0.21 0.00 0.87 -0.71 0.07 113.55 115.37 3ieq h SER 84 Ca 0.19 -0.15 -0.14 0.00 -1.23 0.00 0.00 61.79 60.46 3ieq h SER 84 Cb 0.28 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3ieq h SER 84 CO -0.00 0.82 -0.38 0.03 -0.53 0.00 0.00 176.83 176.77 3ieq h ARG 85 N 0.97 0.75 -0.55 2.24 3.08 -0.07 -1.03 114.38 119.77 3ieq h ARG 85 Ca 0.23 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 3ieq h ARG 85 Cb 0.16 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 3ieq h ARG 85 CO -0.02 1.00 0.29 0.28 -1.07 0.00 0.00 179.97 180.44 3ieq h VAL 86 N 0.62 1.19 -0.72 2.04 2.07 -0.54 -0.12 116.25 120.79 3ieq h VAL 86 Ca 0.06 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 3ieq h VAL 86 Cb 0.92 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3ieq h VAL 86 CO 0.08 0.21 0.29 0.00 0.02 0.00 0.00 177.57 178.17 3ieq h ALA 87 N 1.12 1.14 -0.11 1.67 0.00 -0.88 -2.27 119.26 119.94 3ieq h ALA 87 Ca 0.19 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3ieq h ALA 87 Cb 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3ieq h ALA 87 CO -0.03 0.62 -0.35 0.37 0.00 0.00 0.00 179.25 179.86 3ieq h GLN 88 N 1.05 0.22 0.00 0.00 5.75 -0.69 -1.05 115.11 120.38 3ieq h GLN 88 Ca 0.24 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 3ieq h GLN 88 Cb 0.20 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.74 3ieq h GLN 88 CO -0.02 0.55 0.00 0.00 -2.65 0.00 0.00 178.83 176.71 3ieq n ALA 89 N -2.48 1.64 0.00 3.38 0.00 -0.10 -4.89 120.51 118.06 3ieq n ALA 89 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3ieq n ALA 89 Cb 0.43 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3ieq n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ieq n GLY 90 N -0.05 1.21 3.64 0.00 0.00 -0.40 -5.09 105.19 104.51 3ieq n GLY 90 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 3ieq n GLY 90 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ieq s PHE 91 N -2.00 3.09 -0.02 1.61 0.08 -0.88 -4.44 117.98 115.42 3ieq s PHE 91 Ca 0.00 0.12 -0.02 0.00 0.12 0.00 0.00 56.93 57.15 3ieq s PHE 91 Cb 0.00 -1.77 -0.04 0.00 -0.57 0.00 0.00 43.02 40.64 3ieq s PHE 91 CO 0.00 0.41 0.15 0.00 -0.10 0.00 0.00 175.22 175.68 3ieq s ALA 92 N -0.81 3.84 -0.00 5.36 0.00 -0.39 -3.71 121.76 126.06 3ieq s ALA 92 Ca 0.12 -0.78 -0.24 0.00 0.00 0.00 0.00 51.96 51.06 3ieq s ALA 92 Cb -0.11 -1.80 -0.05 0.00 0.00 0.00 0.00 23.12 21.16 3ieq s ALA 92 CO 0.02 0.72 0.72 0.42 0.00 0.00 0.00 175.76 177.64 3ieq s ILE 93 N -1.26 4.87 -0.25 0.00 1.01 -1.26 -1.57 121.20 122.74 3ieq s ILE 93 Ca 0.25 1.51 -0.09 0.00 0.00 0.00 0.00 60.65 62.31 3ieq s ILE 93 Cb -0.12 -4.06 -0.16 0.00 0.01 0.00 0.00 42.46 38.13 3ieq s ILE 93 CO 0.16 0.33 -0.17 0.54 0.00 0.00 0.00 174.94 175.80 3ieq n ARG 94 N 3.12 0.62 -3.56 2.79 5.12 0.51 -4.96 116.66 120.31 3ieq n ARG 94 Ca -0.03 0.27 -0.09 0.00 -1.93 0.00 0.00 57.85 56.07 3ieq n ARG 94 Cb 0.51 -1.56 -0.02 0.00 -1.16 0.00 0.00 32.46 30.23 3ieq n ARG 94 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3ieq s ASN 95 N -7.06 -0.42 -0.02 0.55 4.22 -1.06 -4.87 114.94 106.27 3ieq s ASN 95 Ca -0.35 -0.17 0.02 0.00 -2.14 0.00 0.00 52.86 50.22 3ieq s ASN 95 Cb 0.11 0.57 0.01 0.00 1.28 0.00 0.00 41.25 43.22 3ieq s ASN 95 CO 0.57 -0.97 -0.06 -0.69 -2.04 0.00 0.00 177.10 173.90 3ieq s VAL 96 N -3.61 0.57 0.13 3.54 1.01 -0.52 -1.47 120.40 120.06 3ieq s VAL 96 Ca 0.05 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 61.85 3ieq s VAL 96 Cb -0.02 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 3ieq s VAL 96 CO -0.07 0.19 -0.14 -0.62 0.00 0.00 0.00 175.10 174.47 3ieq s ASP 97 N 0.28 2.02 0.20 3.32 2.15 -0.42 -1.12 116.67 123.10 3ieq s ASP 97 Ca -0.04 -0.86 -0.23 0.00 0.43 0.00 0.00 52.55 51.86 3ieq s ASP 97 Cb -0.08 -0.07 0.05 0.00 -0.30 0.00 0.00 42.92 42.53 3ieq s ASP 97 CO 0.00 -0.17 0.70 -0.94 -0.17 0.00 0.00 175.17 174.58 3ieq s SER 98 N -2.64 -0.40 -0.01 -0.34 1.04 -0.97 -0.62 113.70 109.77 3ieq s SER 98 Ca 0.11 -0.28 -0.01 0.00 0.48 0.00 0.00 55.95 56.26 3ieq s SER 98 Cb -0.03 0.63 0.01 0.00 0.10 0.00 0.00 66.02 66.72 3ieq s SER 98 CO 0.03 -1.09 0.04 -0.89 0.98 0.00 0.00 173.24 172.30 3ieq s THR 99 N -3.74 -0.01 -0.16 2.02 2.01 -0.12 -1.11 115.64 114.53 3ieq s THR 99 Ca 0.06 0.02 -0.04 0.00 0.31 0.00 0.00 61.69 62.05 3ieq s THR 99 Cb -0.03 -0.06 -0.02 0.00 0.01 0.00 0.00 72.50 72.39 3ieq s THR 99 CO -0.03 0.01 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.23 3ieq s ILE 100 N 0.12 3.78 -0.28 1.82 1.01 0.50 -0.50 121.20 127.65 3ieq s ILE 100 Ca -0.01 -0.39 -0.07 0.00 0.00 0.00 0.00 60.65 60.18 3ieq s ILE 100 Cb -0.01 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.79 3ieq s ILE 100 CO -0.00 0.48 0.09 -0.63 0.00 0.00 0.00 174.94 174.87 3ieq s ILE 101 N 0.54 4.16 -0.16 2.92 1.09 0.45 -1.15 121.20 129.05 3ieq s ILE 101 Ca -0.03 -0.48 -0.09 0.00 -1.10 0.00 0.00 60.65 58.95 3ieq s ILE 101 Cb -0.14 -3.07 0.06 0.00 -1.06 0.00 0.00 42.46 38.24 3ieq s ILE 101 CO 0.03 0.17 0.39 0.00 -0.10 0.00 0.00 174.94 175.43 3ieq s ALA 102 N 1.55 -1.00 0.18 9.38 0.00 -0.15 -2.17 121.76 129.57 3ieq s ALA 102 Ca 0.04 1.45 -0.10 0.00 0.00 0.00 0.00 51.96 53.35 3ieq s ALA 102 Cb -0.16 -0.88 0.09 0.00 0.00 0.00 0.00 23.12 22.17 3ieq s ALA 102 CO 0.03 -0.25 1.71 0.37 0.00 0.00 0.00 175.76 177.62 3ieq h GLN 103 N 7.01 1.02 -3.02 0.00 -0.00 -1.83 -3.36 115.11 114.93 3ieq h GLN 103 Ca -0.36 -0.23 -0.05 0.00 -0.00 0.00 0.00 58.65 58.01 3ieq h GLN 103 Cb 1.18 -0.14 -0.14 0.00 0.00 0.00 0.00 27.48 28.37 3ieq h GLN 103 CO 0.30 0.90 0.03 0.00 0.00 0.00 0.00 178.83 180.06 3ieq s ALA 104 N -5.39 -1.25 0.90 3.38 0.00 -1.26 -4.84 121.76 113.30 3ieq s ALA 104 Ca -0.12 0.36 -0.05 0.00 0.00 0.00 0.00 51.96 52.15 3ieq s ALA 104 Cb 0.14 0.58 0.07 0.00 0.00 0.00 0.00 23.12 23.91 3ieq s ALA 104 CO 0.82 -0.60 0.44 -0.35 0.00 0.00 0.00 175.76 176.07 3ieq n PRO 105 N 0.05 -0.29 -2.04 0.00 -0.04 -1.26 -5.05 135.00 126.37 3ieq n PRO 105 Ca -0.17 -0.76 -0.42 0.00 -0.04 0.00 0.00 63.50 62.10 3ieq n PRO 105 Cb 0.62 -0.43 -0.03 0.00 -0.04 0.00 0.00 33.50 33.63 3ieq n PRO 105 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3ieq s LYS 106 N -3.87 4.21 0.04 0.54 -0.14 -1.26 -4.90 119.74 114.35 3ieq s LYS 106 Ca 0.26 2.17 0.22 0.00 -1.36 0.00 0.00 55.97 57.26 3ieq s LYS 106 Cb -0.01 -3.80 -0.22 0.00 -1.68 0.00 0.00 37.83 32.13 3ieq s LYS 106 CO 0.18 -0.76 0.69 1.28 -0.76 0.00 0.00 175.35 175.97 3ieq n LEU 107 N 6.38 0.31 -0.27 3.17 4.77 -1.26 -4.57 117.00 125.52 3ieq n LEU 107 Ca 0.16 0.05 0.08 0.00 -0.03 0.00 0.00 56.01 56.27 3ieq n LEU 107 Cb 0.42 -0.02 0.23 0.00 -2.33 0.00 0.00 43.42 41.72 3ieq n LEU 107 CO 0.62 -0.03 0.98 0.00 -1.33 0.00 0.00 177.39 177.63 3ieq h ALA 108 N 2.10 1.14 0.00 -1.18 0.00 -2.00 0.21 119.26 119.53 3ieq h ALA 108 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ieq h ALA 108 Cb 0.95 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3ieq h ALA 108 CO 0.00 -0.32 0.00 -2.30 0.00 0.00 0.00 179.25 176.63 3ieq n PRO 109 N -5.10 0.06 -0.00 0.00 -0.02 -1.26 -3.12 135.00 125.56 3ieq n PRO 109 Ca 0.17 0.40 0.04 0.00 -2.02 0.00 0.00 63.50 62.10 3ieq n PRO 109 Cb 0.53 -1.63 -0.05 0.00 -0.02 0.00 0.00 33.50 32.32 3ieq n PRO 109 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3ieq n HIS 110 N -1.74 0.00 -0.20 6.00 8.25 0.03 -4.74 115.22 122.82 3ieq n HIS 110 Ca 0.02 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.41 3ieq n HIS 110 Cb 0.12 -0.02 0.03 0.00 1.12 0.00 0.00 29.99 31.24 3ieq n HIS 110 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3ieq h ILE 111 N 0.00 1.16 -0.81 1.59 1.08 -1.42 -1.44 117.51 117.68 3ieq h ILE 111 Ca 0.00 -0.34 -0.03 0.00 -0.39 0.00 0.00 64.86 64.10 3ieq h ILE 111 Cb 0.24 0.34 -0.04 0.00 -3.07 0.00 0.00 36.82 34.29 3ieq h ILE 111 CO 0.00 0.16 0.39 0.44 -0.69 0.00 0.00 178.15 178.45 3ieq h ASP 112 N 0.79 1.06 -0.69 1.72 5.19 -1.85 -0.75 116.42 121.88 3ieq h ASP 112 Ca 0.21 -0.14 -0.04 0.00 -0.62 0.00 0.00 57.03 56.45 3ieq h ASP 112 Cb -0.05 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.16 3ieq h ASP 112 CO -0.04 0.90 0.29 0.00 -3.12 0.00 0.00 179.24 177.26 3ieq h ALA 113 N 1.20 0.90 -0.44 3.45 0.00 -1.80 -0.66 119.26 121.91 3ieq h ALA 113 Ca 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ieq h ALA 113 Cb 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3ieq h ALA 113 CO -0.03 0.51 0.27 0.52 0.00 0.00 0.00 179.25 180.51 3ieq h MET 114 N 0.98 0.58 -0.60 0.00 2.86 -0.89 -1.71 114.93 116.16 3ieq h MET 114 Ca 0.23 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 3ieq h MET 114 Cb 0.19 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 3ieq h MET 114 CO -0.02 0.42 0.33 -0.09 1.06 0.00 0.00 176.91 178.61 3ieq h ARG 115 N 0.58 0.84 -0.71 1.72 1.12 -0.86 -2.11 114.38 114.97 3ieq h ARG 115 Ca 0.16 -0.10 -0.02 0.00 -1.11 0.00 0.00 59.98 58.91 3ieq h ARG 115 Cb -0.03 -0.16 -0.03 0.00 -0.01 0.00 0.00 29.97 29.73 3ieq h ARG 115 CO -0.03 0.64 0.37 0.00 -3.11 0.00 0.00 179.97 177.84 3ieq h ALA 116 N 1.15 1.32 -0.06 2.80 0.00 -0.95 -1.18 119.26 122.34 3ieq h ALA 116 Ca 0.21 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ieq h ALA 116 Cb 0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3ieq h ALA 116 CO -0.03 0.55 0.02 -0.91 0.00 0.00 0.00 179.25 178.87 3ieq h ASN 117 N 1.00 0.08 -0.47 0.00 2.35 -0.93 -1.45 115.58 116.17 3ieq h ASN 117 Ca 0.25 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 3ieq h ASN 117 Cb 0.05 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 3ieq h ASN 117 CO -0.04 0.28 0.18 0.40 -1.65 0.00 0.00 177.43 176.59 3ieq h ILE 118 N -0.11 1.21 -0.51 2.81 2.04 -1.24 -0.72 117.51 120.99 3ieq h ILE 118 Ca 0.02 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 65.23 3ieq h ILE 118 Cb 0.22 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 3ieq h ILE 118 CO -0.00 0.25 0.31 0.00 0.00 0.00 0.00 178.15 178.71 3ieq h ALA 119 N 1.02 0.65 -0.45 1.87 0.00 -1.20 -0.55 119.26 120.61 3ieq h ALA 119 Ca 0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3ieq h ALA 119 Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3ieq h ALA 119 CO -0.01 0.02 0.26 0.00 0.00 0.00 0.00 179.25 179.52 3ieq h ALA 120 N 1.22 0.57 0.00 0.00 0.00 -0.84 0.88 119.26 121.09 3ieq h ALA 120 Ca 0.20 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3ieq h ALA 120 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3ieq h ALA 120 CO -0.08 0.07 -0.34 -0.44 0.00 0.00 0.00 179.25 178.45 3ieq h ASP 121 N 0.59 0.00 -0.11 0.00 3.32 -0.78 -2.88 116.42 116.56 3ieq h ASP 121 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3ieq h ASP 121 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3ieq h ASP 121 CO -0.03 0.34 0.00 0.18 -1.72 0.00 0.00 179.24 178.01 3ieq n LEU 122 N -3.71 2.67 -3.71 1.55 4.77 -0.25 -4.50 117.00 113.84 3ieq n LEU 122 Ca -0.01 -0.97 -0.23 0.00 -0.03 0.00 0.00 56.01 54.77 3ieq n LEU 122 Cb 0.44 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.51 3ieq n LEU 122 CO 0.36 0.49 0.04 -0.67 -1.33 0.00 0.00 177.39 176.28 3ieq n ASP 123 N 1.05 -2.83 -4.45 -1.43 2.03 -0.61 -4.94 116.55 105.38 3ieq n ASP 123 Ca 0.16 -0.75 -0.28 0.00 0.52 0.00 0.00 54.79 54.45 3ieq n ASP 123 Cb 0.53 -4.28 -0.11 0.00 -0.72 0.00 0.00 41.12 36.53 3ieq n ASP 123 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3ieq s LEU 124 N -6.86 2.54 0.76 -2.67 1.43 0.20 -5.04 118.68 109.04 3ieq s LEU 124 Ca 0.24 -0.76 -0.12 0.00 -1.03 0.00 0.00 54.13 52.46 3ieq s LEU 124 Cb -0.12 -1.30 0.05 0.00 0.03 0.00 0.00 46.19 44.85 3ieq s LEU 124 CO 0.80 0.13 1.11 -2.16 0.23 0.00 0.00 176.35 176.46 3ieq s PRO 125 N -2.54 2.23 0.38 1.29 0.04 -1.26 -4.43 135.00 130.71 3ieq s PRO 125 Ca 0.20 1.31 0.12 0.00 0.04 0.00 0.00 61.00 62.67 3ieq s PRO 125 Cb -0.09 -1.88 0.91 0.00 0.04 0.00 0.00 34.50 33.47 3ieq s PRO 125 CO 0.10 -1.69 1.87 -0.07 0.04 0.00 0.00 177.00 177.26 3ieq h LEU 126 N -0.88 0.57 0.00 -3.56 3.38 -1.93 -2.46 115.31 110.43 3ieq h LEU 126 Ca -0.45 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3ieq h LEU 126 Cb 1.24 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3ieq h LEU 126 CO 0.51 0.27 0.00 -0.90 0.09 0.00 0.00 178.44 178.41 3ieq n ASP 127 N -4.54 0.00 -0.64 -0.43 5.75 -1.26 -1.90 116.55 113.52 3ieq n ASP 127 Ca 0.17 -0.65 0.06 0.00 -0.01 0.00 0.00 54.79 54.37 3ieq n ASP 127 Cb 0.52 0.00 0.13 0.00 -1.03 0.00 0.00 41.12 40.75 3ieq n ASP 127 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3ieq n ARG 128 N -1.00 2.19 -4.66 0.11 1.74 -0.92 -4.96 116.66 109.16 3ieq n ARG 128 Ca 0.15 -1.84 -0.24 0.00 -0.77 0.00 0.00 57.85 55.16 3ieq n ARG 128 Cb 0.07 -1.28 -0.16 0.00 -1.02 0.00 0.00 32.46 30.07 3ieq n ARG 128 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ieq s VAL 129 N -1.01 1.17 -0.01 1.55 1.01 -0.80 -1.43 120.40 120.89 3ieq s VAL 129 Ca 0.22 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.63 3ieq s VAL 129 Cb 0.12 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.49 3ieq s VAL 129 CO 0.17 0.34 -0.03 0.21 0.00 0.00 0.00 175.10 175.79 3ieq s ASN 130 N 0.03 0.46 -0.10 3.32 2.47 -0.28 -4.96 114.94 115.89 3ieq s ASN 130 Ca -0.02 -0.07 0.01 0.00 0.42 0.00 0.00 52.86 53.20 3ieq s ASN 130 Cb -0.10 -0.10 0.02 0.00 -1.45 0.00 0.00 41.25 39.63 3ieq s ASN 130 CO 0.01 0.02 -0.12 -0.69 -3.72 0.00 0.00 177.10 172.60 3ieq s VAL 131 N 0.13 1.25 0.18 -5.21 1.01 -1.26 -2.28 120.40 114.22 3ieq s VAL 131 Ca -0.01 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 61.57 3ieq s VAL 131 Cb -0.04 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 3ieq s VAL 131 CO -0.00 0.39 -0.08 -0.54 0.00 0.00 0.00 175.10 174.88 3ieq s LYS 132 N 1.13 2.13 0.05 2.72 1.02 -0.27 -4.99 119.74 121.54 3ieq s LYS 132 Ca -0.05 -1.23 0.03 0.00 0.02 0.00 0.00 55.97 54.74 3ieq s LYS 132 Cb -0.14 -2.20 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 3ieq s LYS 132 CO -0.03 0.44 -0.09 0.00 -0.92 0.00 0.00 175.35 174.76 3ieq s ALA 133 N -1.70 0.69 0.17 5.17 0.00 -1.26 -0.37 121.76 124.46 3ieq s ALA 133 Ca 0.25 -0.83 -0.24 0.00 0.00 0.00 0.00 51.96 51.14 3ieq s ALA 133 Cb -0.09 0.03 0.06 0.00 0.00 0.00 0.00 23.12 23.12 3ieq s ALA 133 CO 0.16 -0.00 0.75 -1.59 0.00 0.00 0.00 175.76 175.07 3ieq s LYS 134 N -1.73 1.35 0.65 0.00 -2.85 -0.30 -4.91 119.74 111.95 3ieq s LYS 134 Ca -0.08 -0.64 -0.03 0.00 -1.00 0.00 0.00 55.97 54.23 3ieq s LYS 134 Cb -0.09 0.53 0.06 0.00 -2.06 0.00 0.00 37.83 36.27 3ieq s LYS 134 CO 0.00 -0.61 0.92 0.95 0.10 0.00 0.00 175.35 176.72 3ieq s THR 135 N -3.62 2.41 -0.36 3.79 -4.23 -1.26 -0.98 115.64 111.39 3ieq s THR 135 Ca 0.07 -0.47 0.09 0.00 -1.18 0.00 0.00 61.69 60.19 3ieq s THR 135 Cb -0.03 -2.94 0.67 0.00 1.34 0.00 0.00 72.50 71.55 3ieq s THR 135 CO -0.03 0.00 1.69 -3.20 -0.54 0.00 0.00 174.62 172.53 3ieq n ASN 136 N -2.70 4.57 -3.97 3.99 5.15 -1.26 -4.80 115.26 116.24 3ieq n ASN 136 Ca 0.09 -3.06 -0.32 0.00 -0.60 0.00 0.00 54.58 50.69 3ieq n ASN 136 Cb 0.60 -0.72 0.01 0.00 -0.53 0.00 0.00 39.78 39.14 3ieq n ASN 136 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3ieq n GLU 137 N -0.05 -4.58 -1.13 1.20 -0.58 -1.26 -1.23 120.64 113.00 3ieq n GLU 137 Ca 0.36 0.52 -0.04 0.00 -0.42 0.00 0.00 57.16 57.57 3ieq n GLU 137 Cb 1.27 -5.35 -0.02 0.00 -0.57 0.00 0.00 31.44 26.77 3ieq n GLU 137 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3ieq n LYS 138 N -4.51 -1.08 -3.52 3.49 5.02 -1.26 -4.99 118.16 111.31 3ieq n LYS 138 Ca 0.05 0.52 -0.37 0.00 -2.02 0.00 0.00 58.31 56.50 3ieq n LYS 138 Cb 0.51 -4.47 -0.07 0.00 -0.02 0.00 0.00 35.03 30.99 3ieq n LYS 138 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ieq s LEU 139 N -1.00 4.30 0.00 -0.35 1.43 -0.36 -4.55 118.68 118.15 3ieq s LEU 139 Ca 0.00 0.64 0.00 0.00 -1.03 0.00 0.00 54.13 53.74 3ieq s LEU 139 Cb 0.00 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.77 3ieq s LEU 139 CO 0.00 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.34 3ieq n GLY 140 N 2.96 -1.81 0.37 -3.19 0.00 -1.26 -1.47 105.19 100.79 3ieq n GLY 140 Ca -0.12 -1.32 0.19 0.00 0.00 0.00 0.00 46.02 44.77 3ieq n GLY 140 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3ieq h TYR 141 N -0.04 0.02 -0.25 1.61 -0.00 -1.97 0.69 116.97 117.04 3ieq h TYR 141 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 58.73 58.56 3ieq h TYR 141 Cb 0.04 -0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.76 3ieq h TYR 141 CO 0.00 0.01 -0.54 -0.07 -0.00 0.00 0.00 178.16 177.56 3ieq h LEU 142 N 0.01 0.82 -1.28 0.10 3.38 -1.82 0.76 115.31 117.27 3ieq h LEU 142 Ca 0.23 -0.43 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 3ieq h LEU 142 Cb 0.91 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3ieq h LEU 142 CO -0.01 1.19 -0.36 1.23 0.09 0.00 0.00 178.44 180.59 3ieq h GLY 143 N 0.86 0.00 -0.30 0.83 0.00 0.23 -2.60 103.07 102.09 3ieq h GLY 143 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3ieq h GLY 143 CO 0.11 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.19 3ieq n ARG 144 N -4.11 1.51 -2.45 4.80 1.74 -0.42 -4.74 116.66 112.99 3ieq n ARG 144 Ca -0.02 -0.76 -0.14 0.00 -0.77 0.00 0.00 57.85 56.15 3ieq n ARG 144 Cb 0.39 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 3ieq n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ieq n GLY 145 N 1.07 -0.17 0.16 -0.13 0.00 -0.98 -4.92 105.19 100.22 3ieq n GLY 145 Ca 0.17 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.06 3ieq n GLY 145 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ieq h GLU 146 N -0.35 0.00 -2.74 1.61 5.08 -1.09 -3.43 114.58 113.66 3ieq h GLU 146 Ca -0.34 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.12 3ieq h GLU 146 Cb 1.24 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 3ieq h GLU 146 CO 0.39 0.00 0.36 0.20 -1.00 0.00 0.00 179.01 178.95 3ieq s GLY 147 N -4.25 -0.02 -0.04 -3.84 0.00 -1.25 -1.32 107.32 96.60 3ieq s GLY 147 Ca 0.03 -0.27 0.05 0.00 0.00 0.00 0.00 44.72 44.53 3ieq s GLY 147 CO 0.73 0.17 -0.18 -0.42 0.00 0.00 0.00 173.10 173.41 3ieq s ILE 148 N -3.21 1.45 0.14 0.90 1.01 -0.70 -4.61 121.20 116.16 3ieq s ILE 148 Ca 0.13 -0.74 0.08 0.00 0.00 0.00 0.00 60.65 60.13 3ieq s ILE 148 Cb -0.04 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 3ieq s ILE 148 CO 0.06 0.41 -0.09 -0.70 0.00 0.00 0.00 174.94 174.62 3ieq s GLU 149 N -0.06 2.11 0.05 2.79 2.12 -0.92 -2.01 118.70 122.78 3ieq s GLU 149 Ca -0.02 -1.12 0.03 0.00 0.36 0.00 0.00 54.97 54.22 3ieq s GLU 149 Cb -0.11 -2.25 -0.03 0.00 0.26 0.00 0.00 34.13 32.01 3ieq s GLU 149 CO 0.02 0.48 -0.09 0.00 -0.54 0.00 0.00 175.26 175.12 3ieq s ALA 150 N -1.42 0.73 0.08 6.30 0.00 0.11 -0.41 121.76 127.15 3ieq s ALA 150 Ca 0.23 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 51.38 3ieq s ALA 150 Cb -0.10 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 3ieq s ALA 150 CO 0.14 -0.01 -0.17 -0.65 0.00 0.00 0.00 175.76 175.08 3ieq s GLN 151 N -1.84 0.96 0.00 0.00 -0.21 0.35 -1.66 119.66 117.26 3ieq s GLN 151 Ca -0.06 -1.03 -0.11 0.00 0.02 0.00 0.00 55.36 54.17 3ieq s GLN 151 Cb -0.08 -1.08 0.01 0.00 1.00 0.00 0.00 33.01 32.86 3ieq s GLN 151 CO 0.00 0.25 0.22 0.00 -2.12 0.00 0.00 175.29 173.64 3ieq s ALA 152 N -1.20 -0.53 -0.00 6.09 0.00 -0.53 -0.95 121.76 124.64 3ieq s ALA 152 Ca 0.02 0.04 0.02 0.00 0.00 0.00 0.00 51.96 52.04 3ieq s ALA 152 Cb -0.10 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 3ieq s ALA 152 CO 0.03 -0.25 -0.06 0.00 0.00 0.00 0.00 175.76 175.47 3ieq s ALA 153 N -1.53 0.52 -0.00 0.00 0.00 0.21 -0.49 121.76 120.47 3ieq s ALA 153 Ca -0.13 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.55 3ieq s ALA 153 Cb -0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 3ieq s ALA 153 CO 0.02 0.12 -0.06 0.00 0.00 0.00 0.00 175.76 175.84 3ieq s ALA 154 N -0.22 0.51 -0.14 0.00 0.00 -0.54 -1.31 121.76 120.06 3ieq s ALA 154 Ca 0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 3ieq s ALA 154 Cb -0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 3ieq s ALA 154 CO -0.00 0.12 -0.09 -1.17 0.00 0.00 0.00 175.76 174.61 3ieq s LEU 155 N -0.21 2.93 0.39 0.00 2.96 -0.54 -1.42 118.68 122.79 3ieq s LEU 155 Ca 0.02 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 53.72 3ieq s LEU 155 Cb -0.03 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.93 3ieq s LEU 155 CO -0.00 0.16 0.06 0.68 -1.32 0.00 0.00 176.35 175.93 3ieq s VAL 156 N 0.37 1.17 -0.08 1.68 -7.23 -0.25 -0.36 120.40 115.70 3ieq s VAL 156 Ca -0.08 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.05 3ieq s VAL 156 Cb -0.15 -2.63 0.04 0.00 0.56 0.00 0.00 36.38 34.20 3ieq s VAL 156 CO 0.05 0.00 0.17 0.54 -0.31 0.00 0.00 175.10 175.55 3ieq s VAL 157 N -3.12 -0.05 -2.90 1.32 0.11 -0.61 -1.20 120.40 113.95 3ieq s VAL 157 Ca 0.29 0.17 0.23 0.00 -2.93 0.00 0.00 61.98 59.73 3ieq s VAL 157 Cb 0.06 -0.28 0.18 0.00 -1.53 0.00 0.00 36.38 34.82 3ieq s VAL 157 CO 0.14 0.07 1.24 -1.14 -3.33 0.00 0.00 175.10 172.07