#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3icq s THR 12 N 0.00 4.11 -0.03 3.45 2.01 -1.26 -2.21 115.64 121.71 3icq s THR 12 Ca 0.00 -0.30 0.07 0.00 0.31 0.00 0.00 61.69 61.76 3icq s THR 12 Cb 0.00 -2.76 -0.02 0.00 0.01 0.00 0.00 72.50 69.73 3icq s THR 12 CO 0.00 0.55 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.89 3icq s PHE 13 N -0.25 2.10 -0.20 4.92 0.08 -0.52 -4.98 117.98 119.14 3icq s PHE 13 Ca 0.05 -0.46 -0.26 0.00 0.12 0.00 0.00 56.93 56.39 3icq s PHE 13 Cb -0.13 -1.36 -0.01 0.00 -0.57 0.00 0.00 43.02 40.95 3icq s PHE 13 CO 0.02 -0.08 0.86 0.21 -0.10 0.00 0.00 175.22 176.13 3icq s LYS 14 N -0.42 4.26 -0.13 0.44 2.20 -1.26 -0.08 119.74 124.75 3icq s LYS 14 Ca 0.05 1.04 0.02 0.00 -0.36 0.00 0.00 55.97 56.73 3icq s LYS 14 Cb -0.10 -3.60 0.01 0.00 -1.51 0.00 0.00 37.83 32.63 3icq s LYS 14 CO 0.00 -0.43 -0.19 -1.17 -0.36 0.00 0.00 175.35 173.21 3icq s LEU 15 N 2.50 1.94 -0.26 5.43 0.20 -0.85 -0.39 118.68 127.25 3icq s LEU 15 Ca 0.38 -0.54 -0.06 0.00 0.69 0.00 0.00 54.13 54.61 3icq s LEU 15 Cb -0.16 -1.30 -0.01 0.00 -0.43 0.00 0.00 46.19 44.29 3icq s LEU 15 CO 0.10 0.04 0.03 0.68 -0.29 0.00 0.00 176.35 176.92 3icq s VAL 16 N 0.95 3.83 -0.35 1.68 -7.23 -0.90 -1.14 120.40 117.25 3icq s VAL 16 Ca -0.05 -0.50 -0.18 0.00 -1.81 0.00 0.00 61.98 59.44 3icq s VAL 16 Cb -0.15 -2.85 -0.00 0.00 0.56 0.00 0.00 36.38 33.93 3icq s VAL 16 CO -0.03 0.27 0.50 -0.22 -0.31 0.00 0.00 175.10 175.30 3icq s LEU 17 N 1.52 4.37 0.06 1.32 2.96 -1.15 -2.77 118.68 124.99 3icq s LEU 17 Ca 0.05 -0.06 0.05 0.00 -0.22 0.00 0.00 54.13 53.95 3icq s LEU 17 Cb -0.16 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.95 3icq s LEU 17 CO 0.01 -0.47 -0.15 0.68 -1.32 0.00 0.00 176.35 175.10 3icq s VAL 18 N 2.36 1.18 0.00 1.68 -7.23 -0.65 -2.51 120.40 115.22 3icq s VAL 18 Ca 0.18 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 3icq s VAL 18 Cb -0.16 -1.10 0.00 0.00 0.56 0.00 0.00 36.38 35.68 3icq s VAL 18 CO 0.13 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 3icq n GLY 19 N 1.47 0.89 3.12 2.32 0.00 -1.26 -1.25 105.19 110.48 3icq n GLY 19 Ca -0.20 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 3icq n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3icq n ASP 20 N 0.00 -4.87 -4.68 1.61 -0.08 -1.22 -3.97 116.55 103.33 3icq n ASP 20 Ca 0.00 0.30 -0.42 0.00 -1.51 0.00 0.00 54.79 53.16 3icq n ASP 20 Cb 0.00 -0.86 -0.03 0.00 2.34 0.00 0.00 41.12 42.57 3icq n ASP 20 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 3icq s GLY 21 N -1.16 1.78 0.00 0.27 0.00 -1.01 -3.29 107.32 103.91 3icq s GLY 21 Ca 0.46 0.88 0.00 0.00 0.00 0.00 0.00 44.72 46.06 3icq s GLY 21 CO 0.77 2.60 0.00 0.61 0.00 0.00 0.00 173.10 177.08 3icq n GLY 22 N 3.72 1.05 0.42 0.20 0.00 -1.26 -4.98 105.19 104.34 3icq n GLY 22 Ca 0.14 -0.51 0.11 0.00 0.00 0.00 0.00 46.02 45.75 3icq n GLY 22 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3icq n THR 23 N -2.69 0.00 -0.23 2.61 -2.24 -1.21 -4.89 114.28 105.64 3icq n THR 23 Ca 0.00 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3icq n THR 23 Cb 0.26 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 3icq n THR 23 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3icq n GLY 24 N 1.41 1.32 0.09 3.38 0.00 -1.26 -4.67 105.19 105.47 3icq n GLY 24 Ca 0.08 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 3icq n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3icq h LYS 25 N 0.00 0.20 -0.19 1.61 1.57 -1.94 -1.65 116.57 116.17 3icq h LYS 25 Ca 0.00 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3icq h LYS 25 Cb 0.08 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3icq h LYS 25 CO 0.00 0.16 0.03 1.15 -0.57 0.00 0.00 179.45 180.22 3icq h THR 26 N 0.18 1.22 -0.44 -0.16 2.02 -1.95 -2.69 112.91 111.10 3icq h THR 26 Ca 0.05 -0.74 0.09 0.00 0.77 0.00 0.00 66.41 66.59 3icq h THR 26 Cb 0.01 1.34 -0.09 0.00 -1.74 0.00 0.00 68.15 67.67 3icq h THR 26 CO -0.01 0.23 -0.22 0.74 0.37 0.00 0.00 175.52 176.63 3icq h THR 27 N 0.11 0.37 -0.39 3.16 2.02 -1.92 0.76 112.91 117.02 3icq h THR 27 Ca 0.06 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.31 3icq h THR 27 Cb 0.31 0.37 -0.06 0.00 -1.74 0.00 0.00 68.15 67.04 3icq h THR 27 CO 0.00 0.00 0.02 0.15 0.37 0.00 0.00 175.52 176.07 3icq h PHE 28 N -0.13 0.03 -0.12 3.16 3.57 -1.22 0.05 116.94 122.27 3icq h PHE 28 Ca 0.21 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.75 3icq h PHE 28 Cb 0.45 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 3icq h PHE 28 CO -0.47 -0.05 0.03 0.28 -2.23 0.00 0.00 178.31 175.87 3icq h VAL 29 N 0.14 0.95 0.18 1.41 2.07 -0.91 -2.80 116.25 117.29 3icq h VAL 29 Ca 0.19 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.70 3icq h VAL 29 Cb 0.26 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3icq h VAL 29 CO -0.30 0.01 -0.30 0.11 0.02 0.00 0.00 177.57 177.11 3icq h LYS 30 N 0.08 -0.54 -1.08 1.57 6.56 -0.11 0.51 116.57 123.56 3icq h LYS 30 Ca 0.05 0.04 0.32 0.00 -1.06 0.00 0.00 60.65 60.00 3icq h LYS 30 Cb 0.04 0.12 -0.13 0.00 -0.57 0.00 0.00 32.23 31.70 3icq h LYS 30 CO -0.07 -0.36 0.66 0.07 -2.06 0.00 0.00 179.45 177.69 3icq h ARG 31 N -0.56 0.31 0.15 3.15 0.11 -0.86 0.27 114.38 116.94 3icq h ARG 31 Ca 0.02 -0.02 -0.30 0.00 0.10 0.00 0.00 59.98 59.78 3icq h ARG 31 Cb 0.56 -0.07 0.01 0.00 1.11 0.00 0.00 29.97 31.58 3icq h ARG 31 CO -0.14 0.20 -1.39 0.45 0.10 0.00 0.00 179.97 179.19 3icq h HIS 32 N 0.32 0.57 0.24 4.08 3.86 -1.10 -2.17 115.15 120.94 3icq h HIS 32 Ca 0.71 -0.42 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 3icq h HIS 32 Cb 1.78 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 30.23 3icq h HIS 32 CO -0.01 1.37 -0.11 -0.07 0.86 0.00 0.00 177.93 179.97 3icq h LEU 33 N 0.09 -0.27 0.00 2.43 3.38 0.14 -3.42 115.31 117.66 3icq h LEU 33 Ca -0.20 -0.20 -0.33 0.00 0.09 0.00 0.00 57.88 57.24 3icq h LEU 33 Cb 2.02 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 42.78 3icq h LEU 33 CO 0.20 0.24 -2.25 0.35 0.09 0.00 0.00 178.44 177.07 3icq n THR 34 N -4.99 1.26 0.00 0.22 -2.24 0.69 -5.01 114.28 104.22 3icq n THR 34 Ca -0.07 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3icq n THR 34 Cb 0.23 -1.15 0.00 0.00 -2.10 0.00 0.00 70.33 67.31 3icq n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3icq n GLY 35 N 2.35 0.85 3.80 3.38 0.00 -0.82 -5.02 105.19 109.73 3icq n GLY 35 Ca -0.37 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 3icq n GLY 35 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3icq s GLU 36 N -0.70 3.89 -0.44 1.61 4.04 -1.26 -4.88 118.70 120.97 3icq s GLU 36 Ca 0.00 -0.01 -0.14 0.00 0.04 0.00 0.00 54.97 54.86 3icq s GLU 36 Cb 0.00 -3.31 0.06 0.00 0.02 0.00 0.00 34.13 30.90 3icq s GLU 36 CO 0.00 0.52 0.33 0.12 -1.84 0.00 0.00 175.26 174.38 3icq s PHE 37 N -0.33 3.26 0.18 4.83 5.36 -1.26 -3.41 117.98 126.61 3icq s PHE 37 Ca 0.15 -1.00 -0.30 0.00 -0.96 0.00 0.00 56.93 54.82 3icq s PHE 37 Cb -0.13 -2.94 -0.07 0.00 -0.34 0.00 0.00 43.02 39.54 3icq s PHE 37 CO 0.04 -0.76 1.06 -2.00 -1.46 0.00 0.00 175.22 172.11 3icq s GLU 38 N 1.59 4.64 0.00 10.12 2.56 -1.26 -4.91 118.70 131.43 3icq s GLU 38 Ca 0.04 1.66 0.16 0.00 0.00 0.00 0.00 54.97 56.83 3icq s GLU 38 Cb -0.23 -3.29 -0.01 0.00 2.00 0.00 0.00 34.13 32.60 3icq s GLU 38 CO 0.06 0.14 0.85 0.36 -0.56 0.00 0.00 175.26 176.11 3icq n LYS 39 N 2.31 1.68 -3.73 4.30 2.85 -1.26 -4.91 118.16 119.40 3icq n LYS 39 Ca 0.02 -0.77 -0.35 0.00 -1.05 0.00 0.00 58.31 56.15 3icq n LYS 39 Cb 0.47 -1.27 -0.09 0.00 -0.65 0.00 0.00 35.03 33.49 3icq n LYS 39 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 3icq s LYS 40 N -1.93 4.13 -0.30 -1.58 -2.85 -1.26 -5.06 119.74 110.90 3icq s LYS 40 Ca 0.13 -0.25 -0.25 0.00 -1.00 0.00 0.00 55.97 54.60 3icq s LYS 40 Cb 0.13 -3.44 0.00 0.00 -2.06 0.00 0.00 37.83 32.46 3icq s LYS 40 CO 0.42 0.21 0.86 -0.47 0.10 0.00 0.00 175.35 176.47 3icq s TYR 41 N 0.60 3.21 -0.31 1.78 5.04 -1.26 -4.99 117.35 121.42 3icq s TYR 41 Ca 0.07 0.95 -0.00 0.00 -2.44 0.00 0.00 57.07 55.65 3icq s TYR 41 Cb -0.12 -3.28 0.10 0.00 0.35 0.00 0.00 41.96 39.00 3icq s TYR 41 CO 0.00 -0.58 0.09 0.42 -1.34 0.00 0.00 175.55 174.14 3icq s ILE 42 N 3.08 1.08 0.16 3.14 1.01 -1.26 -5.10 121.20 123.31 3icq s ILE 42 Ca 0.35 -1.51 -0.33 0.00 0.00 0.00 0.00 60.65 59.17 3icq s ILE 42 Cb -0.14 -1.80 -0.16 0.00 0.01 0.00 0.00 42.46 40.37 3icq s ILE 42 CO 0.12 -0.64 1.10 0.00 0.00 0.00 0.00 174.94 175.52 3icq n ALA 43 N 4.77 -1.17 -2.67 9.38 0.00 -1.26 -4.89 120.51 124.66 3icq n ALA 43 Ca -0.02 0.47 -0.41 0.00 0.00 0.00 0.00 53.44 53.48 3icq n ALA 43 Cb 0.42 -1.97 -0.04 0.00 0.00 0.00 0.00 19.45 17.86 3icq n ALA 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3icq s THR 44 N -0.26 4.90 -0.13 0.00 2.01 -1.26 -5.03 115.64 115.86 3icq s THR 44 Ca 0.74 1.58 -0.09 0.00 0.31 0.00 0.00 61.69 64.23 3icq s THR 44 Cb -0.89 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 67.46 3icq s THR 44 CO 0.53 0.04 0.16 -0.51 -0.69 0.00 0.00 174.62 174.16 3icq s ILE 45 N 2.09 5.44 0.00 1.82 2.07 -1.26 -4.39 121.20 126.97 3icq s ILE 45 Ca 0.37 0.26 0.00 0.00 -1.41 0.00 0.00 60.65 59.87 3icq s ILE 45 Cb -0.16 -3.45 0.00 0.00 0.13 0.00 0.00 42.46 38.98 3icq s ILE 45 CO 0.12 0.56 0.00 0.61 -1.91 0.00 0.00 174.94 174.33 3icq n GLY 46 N 2.40 0.92 3.60 1.50 0.00 0.08 -4.63 105.19 109.07 3icq n GLY 46 Ca -0.18 0.39 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 3icq n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3icq s VAL 47 N 0.00 0.00 0.14 1.61 1.01 -1.26 -2.57 120.40 119.32 3icq s VAL 47 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 61.98 62.09 3icq s VAL 47 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3icq s VAL 47 CO 0.00 0.00 -0.26 -1.61 0.00 0.00 0.00 175.10 173.23 3icq s GLU 48 N -0.30 1.44 -0.07 2.72 2.02 -0.17 -4.98 118.70 119.35 3icq s GLU 48 Ca -0.01 -1.36 -0.02 0.00 0.02 0.00 0.00 54.97 53.59 3icq s GLU 48 Cb -0.03 -1.91 0.04 0.00 0.10 0.00 0.00 34.13 32.33 3icq s GLU 48 CO 0.00 0.45 0.06 0.08 0.02 0.00 0.00 175.26 175.86 3icq s VAL 49 N -1.14 -0.01 -0.08 2.63 1.01 -1.26 -0.03 120.40 121.52 3icq s VAL 49 Ca 0.15 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.39 3icq s VAL 49 Cb -0.10 -0.31 0.02 0.00 0.00 0.00 0.00 36.38 35.99 3icq s VAL 49 CO 0.07 0.10 -0.11 -1.00 0.00 0.00 0.00 175.10 174.15 3icq s HIS 50 N 2.13 1.47 -1.14 5.22 3.76 -0.99 -5.00 115.29 120.74 3icq s HIS 50 Ca 0.04 -0.59 -0.22 0.00 -0.15 0.00 0.00 55.06 54.14 3icq s HIS 50 Cb -0.13 -1.11 -0.05 0.00 1.11 0.00 0.00 32.58 32.40 3icq s HIS 50 CO -0.05 -0.33 1.88 -1.25 -0.85 0.00 0.00 174.74 174.14 3icq s PRO 51 N 0.89 2.82 0.59 8.40 0.04 -1.26 -3.17 135.00 143.30 3icq s PRO 51 Ca -0.10 -1.15 -0.18 0.00 0.04 0.00 0.00 61.00 59.61 3icq s PRO 51 Cb -0.15 -5.27 -0.04 0.00 0.04 0.00 0.00 34.50 29.09 3icq s PRO 51 CO 0.01 -3.49 1.14 -1.17 0.04 0.00 0.00 177.00 173.53 3icq s LEU 52 N 9.38 3.63 0.34 -3.56 2.96 -0.98 -4.88 118.68 125.57 3icq s LEU 52 Ca 0.65 2.18 0.04 0.00 -0.22 0.00 0.00 54.13 56.78 3icq s LEU 52 Cb -0.01 -4.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.07 3icq s LEU 52 CO 0.09 -1.43 0.16 -0.55 -1.32 0.00 0.00 176.35 173.30 3icq s SER 53 N -1.95 1.98 0.10 3.68 0.15 -1.26 -1.87 113.70 114.53 3icq s SER 53 Ca 0.72 -1.61 -0.26 0.00 0.70 0.00 0.00 55.95 55.50 3icq s SER 53 Cb -0.24 0.42 0.08 0.00 -1.71 0.00 0.00 66.02 64.57 3icq s SER 53 CO 0.32 -0.91 0.90 0.72 1.20 0.00 0.00 173.24 175.47 3icq s PHE 54 N -3.45 -0.24 -0.29 3.44 -0.71 -1.13 -4.97 117.98 110.63 3icq s PHE 54 Ca 0.33 -0.01 -0.07 0.00 -1.04 0.00 0.00 56.93 56.14 3icq s PHE 54 Cb 0.04 0.60 0.01 0.00 -1.21 0.00 0.00 43.02 42.46 3icq s PHE 54 CO 0.18 -0.75 0.09 1.52 -1.34 0.00 0.00 175.22 174.92 3icq s TYR 55 N -3.28 3.15 -0.39 3.49 -0.85 -1.26 -3.03 117.35 115.17 3icq s TYR 55 Ca 0.09 -0.93 0.02 0.00 -0.52 0.00 0.00 57.07 55.73 3icq s TYR 55 Cb -0.01 -2.26 0.12 0.00 0.38 0.00 0.00 41.96 40.18 3icq s TYR 55 CO -0.03 -0.56 0.16 -1.21 -1.52 0.00 0.00 175.55 172.40 3icq s GLU 60 N 1.51 1.18 0.10 -3.49 8.01 -1.26 -5.04 118.70 119.72 3icq s GLU 60 Ca 0.03 -1.73 -0.28 0.00 0.01 0.00 0.00 54.97 53.01 3icq s GLU 60 Cb -0.17 -2.44 -0.06 0.00 -4.31 0.00 0.00 34.13 27.15 3icq s GLU 60 CO 0.03 -1.06 0.87 0.96 0.01 0.00 0.00 175.26 176.06 3icq s ILE 61 N 0.81 4.53 0.10 -1.63 -0.00 -1.17 -4.74 121.20 119.10 3icq s ILE 61 Ca 0.14 1.87 0.04 0.00 -0.00 0.00 0.00 60.65 62.70 3icq s ILE 61 Cb -0.21 -4.23 -0.04 0.00 -0.00 0.00 0.00 42.46 37.98 3icq s ILE 61 CO -0.09 0.38 0.06 -0.54 -0.00 0.00 0.00 174.94 174.74 3icq s LYS 62 N -0.26 2.75 -0.19 0.37 3.01 -0.94 -2.83 119.74 121.65 3icq s LYS 62 Ca 0.42 -0.79 0.01 0.00 -1.01 0.00 0.00 55.97 54.60 3icq s LYS 62 Cb -0.22 -2.64 0.04 0.00 -1.01 0.00 0.00 37.83 34.00 3icq s LYS 62 CO 0.27 0.54 -0.11 -0.06 0.51 0.00 0.00 175.35 176.51 3icq s PHE 63 N -1.43 2.30 -0.90 3.18 0.40 -0.78 -1.44 117.98 119.30 3icq s PHE 63 Ca 0.28 -1.47 -0.21 0.00 -0.60 0.00 0.00 56.93 54.93 3icq s PHE 63 Cb -0.12 -1.60 0.09 0.00 0.51 0.00 0.00 43.02 41.91 3icq s PHE 63 CO 0.21 -0.72 1.19 0.34 0.70 0.00 0.00 175.22 176.94 3icq s ASP 64 N 1.44 6.50 -0.24 1.36 -1.08 0.89 -2.31 116.67 123.22 3icq s ASP 64 Ca 0.00 -1.64 -0.29 0.00 -0.52 0.00 0.00 52.55 50.10 3icq s ASP 64 Cb -0.15 -2.45 -0.00 0.00 -1.46 0.00 0.00 42.92 38.85 3icq s ASP 64 CO -0.09 -1.28 1.25 -0.69 0.52 0.00 0.00 175.17 174.88 3icq s VAL 65 N 3.66 4.27 -0.87 1.11 1.01 -1.19 -2.01 120.40 126.38 3icq s VAL 65 Ca 0.34 1.49 -0.13 0.00 0.00 0.00 0.00 61.98 63.68 3icq s VAL 65 Cb -0.06 -4.13 0.23 0.00 0.00 0.00 0.00 36.38 32.42 3icq s VAL 65 CO -0.05 -0.32 0.81 0.26 0.00 0.00 0.00 175.10 175.81 3icq s TRP 66 N 3.87 3.84 -0.34 5.22 0.52 -0.29 -2.34 118.94 129.42 3icq s TRP 66 Ca 0.54 -2.11 -0.28 0.00 0.02 0.00 0.00 56.10 54.27 3icq s TRP 66 Cb -0.18 -3.81 -0.03 0.00 -1.15 0.00 0.00 33.47 28.29 3icq s TRP 66 CO 0.18 -0.98 1.94 0.34 0.02 0.00 0.00 176.95 178.45 3icq s ASP 67 N 2.01 5.62 0.54 2.95 -1.08 0.96 -2.92 116.67 124.76 3icq s ASP 67 Ca 0.20 1.32 -0.02 0.00 -0.52 0.00 0.00 52.55 53.52 3icq s ASP 67 Cb -0.10 -2.52 0.01 0.00 -1.46 0.00 0.00 42.92 38.85 3icq s ASP 67 CO -0.09 -1.92 0.81 0.42 0.52 0.00 0.00 175.17 174.91 3icq s THR 68 N 7.81 3.45 -0.41 1.71 -4.23 -1.05 -1.00 115.64 121.93 3icq s THR 68 Ca 0.84 -0.33 -0.17 0.00 -1.18 0.00 0.00 61.69 60.85 3icq s THR 68 Cb -0.23 -3.33 0.02 0.00 1.34 0.00 0.00 72.50 70.29 3icq s THR 68 CO 0.32 -0.28 0.46 0.00 -0.54 0.00 0.00 174.62 174.57 3icq s ALA 69 N -2.82 3.43 -2.00 3.99 0.00 -1.06 -4.88 121.76 118.41 3icq s ALA 69 Ca 0.53 -1.42 0.08 0.00 0.00 0.00 0.00 51.96 51.15 3icq s ALA 69 Cb -0.10 -3.05 0.45 0.00 0.00 0.00 0.00 23.12 20.41 3icq s ALA 69 CO 0.41 -1.53 1.25 0.41 0.00 0.00 0.00 175.76 176.31 3icq n GLY 70 N 5.07 -0.96 3.76 0.00 0.00 -1.26 -4.45 105.19 107.34 3icq n GLY 70 Ca -0.07 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 3icq n GLY 70 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3icq s LEU 71 N -1.24 4.31 0.28 0.99 2.96 -1.26 -2.40 118.68 122.31 3icq s LEU 71 Ca 0.11 0.68 0.00 0.00 -0.22 0.00 0.00 54.13 54.70 3icq s LEU 71 Cb 0.05 -2.48 0.41 0.00 0.50 0.00 0.00 46.19 44.68 3icq s LEU 71 CO 0.09 0.14 1.79 1.05 -1.32 0.00 0.00 176.35 178.10 3icq h GLU 72 N 6.19 0.70 -0.00 1.98 4.11 -1.94 0.16 114.58 125.77 3icq h GLU 72 Ca -0.44 -0.18 -0.08 0.00 0.07 0.00 0.00 59.36 58.73 3icq h GLU 72 Cb 1.18 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 3icq h GLU 72 CO 0.72 0.72 -0.36 1.57 0.07 0.00 0.00 179.01 181.73 3icq h LYS 73 N 0.66 0.01 -0.04 1.06 -0.00 -1.96 -3.04 116.57 113.25 3icq h LYS 73 Ca 0.13 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.78 3icq h LYS 73 Cb 0.42 -0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.65 3icq h LYS 73 CO 0.02 0.37 -0.01 1.19 -0.00 0.00 0.00 179.45 181.02 3icq n PHE 74 N -4.11 0.15 -2.07 0.07 3.72 -1.08 -4.85 117.46 109.29 3icq n PHE 74 Ca -0.02 -0.99 -0.41 0.00 -0.05 0.00 0.00 57.45 55.98 3icq n PHE 74 Cb 0.40 -0.18 -0.00 0.00 -0.94 0.00 0.00 39.48 38.76 3icq n PHE 74 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3icq n GLY 75 N -1.29 4.95 3.81 1.37 0.00 0.54 -0.74 105.19 113.82 3icq n GLY 75 Ca 0.17 -2.02 -0.32 0.00 0.00 0.00 0.00 46.02 43.85 3icq n GLY 75 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3icq s GLY 76 N 0.76 2.06 -1.17 -0.02 0.00 -1.26 -3.73 107.32 103.96 3icq s GLY 76 Ca 0.49 0.35 -0.30 0.00 0.00 0.00 0.00 44.72 45.26 3icq s GLY 76 CO -0.05 0.67 0.69 1.04 0.00 0.00 0.00 173.10 175.44 3icq n LEU 77 N -2.18 -0.69 -0.12 0.66 4.77 -1.26 -4.78 117.00 113.40 3icq n LEU 77 Ca 0.09 -1.24 -0.07 0.00 -0.03 0.00 0.00 56.01 54.76 3icq n LEU 77 Cb 0.53 -1.71 0.02 0.00 -2.33 0.00 0.00 43.42 39.92 3icq n LEU 77 CO 0.48 0.74 0.99 0.03 -1.33 0.00 0.00 177.39 178.30 3icq h ARG 78 N -2.35 0.39 0.00 3.23 3.08 -1.97 -3.09 114.38 113.67 3icq h ARG 78 Ca -0.70 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.33 3icq h ARG 78 Cb 1.40 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.36 3icq h ARG 78 CO 0.50 0.26 -0.59 -0.25 -1.07 0.00 0.00 179.97 178.82 3icq n ASP 79 N -4.92 0.77 0.09 7.04 9.92 -1.26 -4.66 116.55 123.53 3icq n ASP 79 Ca 0.01 -0.62 -0.12 0.00 -0.53 0.00 0.00 54.79 53.53 3icq n ASP 79 Cb 0.09 1.06 -0.05 0.00 -0.64 0.00 0.00 41.12 41.58 3icq n ASP 79 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 3icq h GLY 80 N 2.18 -0.26 1.78 0.44 0.00 -1.91 -2.73 103.07 102.56 3icq h GLY 80 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3icq h GLY 80 CO 0.00 -0.15 0.11 -0.97 0.00 0.00 0.00 176.54 175.52 3icq h TYR 81 N -0.29 0.00 0.00 5.60 0.05 -1.82 -1.63 116.97 118.88 3icq h TYR 81 Ca 0.03 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.78 3icq h TYR 81 Cb 0.32 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.06 3icq h TYR 81 CO -0.17 0.00 -0.13 1.88 -1.05 0.00 0.00 178.16 178.69 3icq h TYR 82 N 0.00 0.00 -1.80 4.88 0.05 -1.80 -3.45 116.97 114.85 3icq h TYR 82 Ca 0.00 0.00 -0.65 0.00 0.05 0.00 0.00 58.73 58.13 3icq h TYR 82 Cb 0.21 0.00 0.10 0.00 1.01 0.00 0.00 36.73 38.05 3icq h TYR 82 CO 0.00 0.13 -0.01 -0.89 -1.05 0.00 0.00 178.16 176.33 3icq n ILE 83 N -3.27 1.51 -2.43 -2.88 5.41 -0.61 -1.29 119.36 115.79 3icq n ILE 83 Ca 0.00 -0.38 -0.12 0.00 1.00 0.00 0.00 62.75 63.26 3icq n ILE 83 Cb 0.37 -0.61 -0.01 0.00 -0.71 0.00 0.00 39.64 38.69 3icq n ILE 83 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3icq n ASN 84 N 1.70 -3.78 -4.75 4.38 4.13 -1.26 -4.93 115.26 110.75 3icq n ASN 84 Ca 0.14 0.21 -0.40 0.00 1.68 0.00 0.00 54.58 56.21 3icq n ASN 84 Cb 0.26 -3.22 -0.05 0.00 -1.54 0.00 0.00 39.78 35.23 3icq n ASN 84 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3icq s ALA 85 N -2.58 3.35 -0.98 5.41 0.00 -0.41 -4.80 121.76 121.74 3icq s ALA 85 Ca 0.00 0.41 0.22 0.00 0.00 0.00 0.00 51.96 52.59 3icq s ALA 85 Cb 0.00 -3.09 -0.10 0.00 0.00 0.00 0.00 23.12 19.93 3icq s ALA 85 CO 0.00 0.10 0.99 1.04 0.00 0.00 0.00 175.76 177.88 3icq n GLN 86 N 2.45 0.02 -3.62 0.00 6.02 0.48 -4.96 117.38 117.76 3icq n GLN 86 Ca -0.02 -0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.93 3icq n GLN 86 Cb 0.49 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.24 3icq n GLN 86 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3icq s ALA 88 N -2.89 0.64 -0.10 0.00 0.00 -0.43 -2.11 121.76 116.87 3icq s ALA 88 Ca 0.10 -1.42 -0.04 0.00 0.00 0.00 0.00 51.96 50.60 3icq s ALA 88 Cb 0.00 1.18 0.05 0.00 0.00 0.00 0.00 23.12 24.35 3icq s ALA 88 CO -0.04 -0.78 0.21 0.42 0.00 0.00 0.00 175.76 175.58 3icq s ILE 89 N -3.40 -0.26 -0.15 0.00 1.01 -1.12 -1.58 121.20 115.70 3icq s ILE 89 Ca 0.30 0.27 -0.05 0.00 0.00 0.00 0.00 60.65 61.17 3icq s ILE 89 Cb 0.01 -0.36 -0.03 0.00 0.01 0.00 0.00 42.46 42.08 3icq s ILE 89 CO 0.17 0.11 0.01 -0.63 0.00 0.00 0.00 174.94 174.61 3icq s ILE 90 N 2.03 4.35 0.01 2.92 1.01 -0.90 -1.64 121.20 128.98 3icq s ILE 90 Ca -0.01 -0.20 0.08 0.00 0.00 0.00 0.00 60.65 60.52 3icq s ILE 90 Cb -0.12 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 3icq s ILE 90 CO -0.07 0.50 -0.24 -0.32 0.00 0.00 0.00 174.94 174.82 3icq s MET 91 N 0.10 2.01 0.06 2.79 1.75 -0.38 -0.07 119.30 125.56 3icq s MET 91 Ca 0.02 -0.99 -0.00 0.00 -1.25 0.00 0.00 55.69 53.47 3icq s MET 91 Cb -0.13 -2.07 -0.04 0.00 2.84 0.00 0.00 34.83 35.43 3icq s MET 91 CO 0.02 0.54 -0.04 -0.59 -0.65 0.00 0.00 175.02 174.30 3icq s PHE 92 N -0.76 0.61 -0.34 4.11 -0.12 -0.89 -3.43 117.98 117.16 3icq s PHE 92 Ca 0.12 -1.01 -0.12 0.00 -0.05 0.00 0.00 56.93 55.86 3icq s PHE 92 Cb -0.10 -0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 41.86 3icq s PHE 92 CO 0.01 -0.31 0.23 0.34 -0.05 0.00 0.00 175.22 175.44 3icq s ASP 93 N -2.90 5.99 0.64 1.98 -1.08 -1.26 -0.73 116.67 119.31 3icq s ASP 93 Ca 0.07 -0.46 0.37 0.00 -0.52 0.00 0.00 52.55 52.01 3icq s ASP 93 Cb 0.07 -2.12 2.07 0.00 -1.46 0.00 0.00 42.92 41.48 3icq s ASP 93 CO -0.08 -0.24 2.25 0.58 0.52 0.00 0.00 175.17 178.20 3icq h VAL 94 N 5.52 0.20 0.00 1.11 2.07 -0.74 0.53 116.25 124.95 3icq h VAL 94 Ca -0.31 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.11 3icq h VAL 94 Cb 1.15 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 3icq h VAL 94 CO 0.63 0.00 -0.91 0.74 0.02 0.00 0.00 177.57 178.05 3icq h THR 95 N 0.00 0.44 -3.66 2.57 2.02 -1.80 -1.89 112.91 110.59 3icq h THR 95 Ca 0.01 -1.74 -0.70 0.00 0.77 0.00 0.00 66.41 64.76 3icq h THR 95 Cb 0.16 2.03 -0.30 0.00 -1.74 0.00 0.00 68.15 68.30 3icq h THR 95 CO -0.00 0.25 -0.61 -0.55 0.37 0.00 0.00 175.52 174.98 3icq s SER 96 N -5.93 5.26 0.19 4.18 0.15 0.18 -4.34 113.70 113.39 3icq s SER 96 Ca 0.01 -1.25 -0.12 0.00 0.70 0.00 0.00 55.95 55.28 3icq s SER 96 Cb 0.08 -1.85 0.18 0.00 -1.71 0.00 0.00 66.02 62.73 3icq s SER 96 CO 0.77 -0.35 1.76 -0.09 1.20 0.00 0.00 173.24 176.54 3icq h ARG 97 N 8.18 0.42 0.00 5.44 2.43 -1.79 -2.62 114.38 126.44 3icq h ARG 97 Ca -0.22 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3icq h ARG 97 Cb 1.08 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 3icq h ARG 97 CO 0.61 0.28 0.00 0.97 -1.51 0.00 0.00 179.97 180.31 3icq h ILE 98 N 0.43 0.00 0.00 1.20 2.10 -1.93 -2.29 117.51 117.02 3icq h ILE 98 Ca 0.25 -0.30 0.00 0.00 1.08 0.00 0.00 64.86 65.89 3icq h ILE 98 Cb 0.23 1.16 0.00 0.00 -1.09 0.00 0.00 36.82 37.13 3icq h ILE 98 CO -0.22 0.00 0.00 0.71 -1.08 0.00 0.00 178.15 177.56 3icq h THR 99 N 0.00 0.00 0.06 2.19 1.35 -1.75 -2.50 112.91 112.26 3icq h THR 99 Ca 0.00 -0.31 -0.37 0.00 -0.55 0.00 0.00 66.41 65.17 3icq h THR 99 Cb 0.34 1.23 -0.04 0.00 -1.73 0.00 0.00 68.15 67.94 3icq h THR 99 CO 0.00 0.00 -2.18 0.00 -0.25 0.00 0.00 175.52 173.09 3icq n TYR 100 N -2.88 0.66 0.26 4.73 9.36 -0.87 -3.45 117.16 124.97 3icq n TYR 100 Ca -0.00 0.15 0.17 0.00 3.32 0.00 0.00 57.90 61.54 3icq n TYR 100 Cb 0.22 -1.08 0.79 0.00 -0.63 0.00 0.00 39.34 38.63 3icq n TYR 100 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 3icq h LYS 101 N -0.09 0.00 -0.01 2.98 1.79 -1.38 0.41 116.57 120.27 3icq h LYS 101 Ca -0.50 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 3icq h LYS 101 Cb 1.91 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.56 3icq h LYS 101 CO -0.03 0.00 -0.50 0.09 -1.08 0.00 0.00 179.45 177.92 3icq n ASN 102 N -3.14 1.67 -0.15 0.86 5.03 -0.97 -4.48 115.26 114.08 3icq n ASN 102 Ca 0.01 -1.33 0.16 0.00 0.87 0.00 0.00 54.58 54.29 3icq n ASN 102 Cb 0.46 0.58 0.53 0.00 -1.02 0.00 0.00 39.78 40.32 3icq n ASN 102 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3icq h VAL 103 N 1.75 0.78 0.38 2.41 2.07 -0.20 -2.34 116.25 121.10 3icq h VAL 103 Ca 0.00 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3icq h VAL 103 Cb 0.62 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3icq h VAL 103 CO 0.00 0.07 -0.34 -0.65 0.02 0.00 0.00 177.57 176.66 3icq h PRO 104 N 0.36 -0.71 -0.64 1.57 0.11 -1.79 -2.46 132.00 128.45 3icq h PRO 104 Ca 0.36 0.05 0.12 0.00 0.11 0.00 0.00 66.00 66.65 3icq h PRO 104 Cb 0.90 0.16 -0.12 0.00 0.11 0.00 0.00 31.00 32.05 3icq h PRO 104 CO -0.11 -0.47 -0.24 -0.91 -0.21 0.00 0.00 178.00 176.06 3icq h ASN 105 N -0.74 -0.84 -0.78 -2.05 2.35 -1.74 0.38 115.58 112.17 3icq h ASN 105 Ca -0.03 0.21 0.11 0.00 -0.55 0.00 0.00 56.30 56.04 3icq h ASN 105 Cb 0.65 0.48 -0.08 0.00 0.05 0.00 0.00 38.32 39.43 3icq h ASN 105 CO -0.04 -0.26 0.40 -0.50 -1.65 0.00 0.00 177.43 175.39 3icq h TRP 106 N -0.07 0.72 0.30 1.19 4.06 -1.38 0.21 115.95 120.99 3icq h TRP 106 Ca 0.29 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.26 3icq h TRP 106 Cb 0.52 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 28.48 3icq h TRP 106 CO -0.58 0.24 -0.15 1.25 -3.56 0.00 0.00 178.44 175.65 3icq h HIS 107 N 0.65 -0.38 -0.33 0.49 2.76 -0.17 -0.69 115.15 117.49 3icq h HIS 107 Ca 0.39 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.59 3icq h HIS 107 Cb 0.44 0.12 -0.07 0.00 1.55 0.00 0.00 27.41 29.46 3icq h HIS 107 CO -0.09 -0.13 -0.45 -0.09 -1.30 0.00 0.00 177.93 175.86 3icq h ARG 108 N -0.56 -0.31 -0.91 5.26 2.43 0.78 -0.28 114.38 120.79 3icq h ARG 108 Ca -0.04 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.23 3icq h ARG 108 Cb 0.41 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.97 3icq h ARG 108 CO 0.07 -0.21 0.59 -0.44 -1.51 0.00 0.00 179.97 178.47 3icq h ASP 109 N -0.32 0.88 0.96 -3.80 3.32 -0.64 -2.56 116.42 114.26 3icq h ASP 109 Ca 0.06 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 3icq h ASP 109 Cb 0.48 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.87 3icq h ASP 109 CO -0.48 0.55 -0.46 -0.07 -1.72 0.00 0.00 179.24 177.05 3icq h LEU 110 N 0.99 -1.09 -0.60 1.55 3.38 0.51 -3.23 115.31 116.83 3icq h LEU 110 Ca 0.41 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.47 3icq h LEU 110 Cb 0.28 0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 3icq h LEU 110 CO -0.16 -0.77 0.31 -0.37 0.09 0.00 0.00 178.44 177.54 3icq h VAL 111 N -1.31 0.95 -1.05 1.22 -1.51 -1.14 -0.98 116.25 112.43 3icq h VAL 111 Ca -0.13 -0.20 0.33 0.00 -1.23 0.00 0.00 66.70 65.47 3icq h VAL 111 Cb 0.99 0.31 -0.14 0.00 -2.13 0.00 0.00 31.29 30.32 3icq h VAL 111 CO 0.22 0.11 0.62 -0.09 -1.23 0.00 0.00 177.57 177.19 3icq h ARG 112 N 0.59 0.29 0.09 5.19 2.43 -1.47 -0.82 114.38 120.67 3icq h ARG 112 Ca 0.27 -0.02 -0.37 0.00 -0.81 0.00 0.00 59.98 59.05 3icq h ARG 112 Cb 0.18 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 3icq h ARG 112 CO -0.18 0.19 -2.13 0.28 -1.51 0.00 0.00 179.97 176.63 3icq n VAL 113 N -4.96 1.70 -3.95 0.20 0.31 -1.07 -4.74 118.33 105.82 3icq n VAL 113 Ca 0.32 -0.63 -0.33 0.00 -0.01 0.00 0.00 64.34 63.70 3icq n VAL 113 Cb 1.04 -1.65 -0.14 0.00 -0.91 0.00 0.00 33.84 32.17 3icq n VAL 113 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3icq s GLU 115 N 1.00 3.00 -0.63 0.00 0.41 -0.72 -3.67 118.70 118.09 3icq s GLU 115 Ca 0.08 0.31 -0.01 0.00 -0.41 0.00 0.00 54.97 54.95 3icq s GLU 115 Cb -0.20 -2.14 0.00 0.00 -1.78 0.00 0.00 34.13 30.01 3icq s GLU 115 CO -0.06 -0.82 0.46 -1.71 -0.49 0.00 0.00 175.26 172.63 3icq n ASN 116 N -2.78 -3.61 -3.86 -0.19 5.15 -1.26 -4.97 115.26 103.74 3icq n ASN 116 Ca 0.06 -0.76 -0.15 0.00 -0.60 0.00 0.00 54.58 53.13 3icq n ASN 116 Cb 0.57 -1.20 -0.15 0.00 -0.53 0.00 0.00 39.78 38.46 3icq n ASN 116 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3icq s ILE 117 N -2.77 0.17 -0.33 -1.44 1.01 -1.26 -5.07 121.20 111.51 3icq s ILE 117 Ca 0.01 0.01 -0.27 0.00 0.00 0.00 0.00 60.65 60.40 3icq s ILE 117 Cb -0.00 -0.22 -0.06 0.00 0.01 0.00 0.00 42.46 42.19 3icq s ILE 117 CO 0.68 0.10 2.28 -2.16 0.00 0.00 0.00 174.94 175.84 3icq s PRO 118 N 0.55 2.74 -0.26 2.79 0.04 -1.26 -4.82 135.00 134.77 3icq s PRO 118 Ca -0.05 1.77 -0.08 0.00 0.04 0.00 0.00 61.00 62.67 3icq s PRO 118 Cb -0.08 -4.45 -0.03 0.00 0.04 0.00 0.00 34.50 29.98 3icq s PRO 118 CO -0.01 -2.55 0.09 0.42 0.04 0.00 0.00 177.00 174.99 3icq s ILE 119 N 9.77 4.47 -0.46 0.56 1.01 -1.26 -1.32 121.20 133.97 3icq s ILE 119 Ca 0.99 -0.14 -0.15 0.00 0.00 0.00 0.00 60.65 61.35 3icq s ILE 119 Cb -0.27 -3.11 0.07 0.00 0.01 0.00 0.00 42.46 39.16 3icq s ILE 119 CO 0.31 0.31 0.37 0.68 0.00 0.00 0.00 174.94 176.61 3icq s VAL 120 N 1.64 5.12 0.06 2.92 -7.23 -0.62 -4.07 120.40 118.22 3icq s VAL 120 Ca 0.06 -1.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.87 3icq s VAL 120 Cb -0.15 -4.04 -0.05 0.00 0.56 0.00 0.00 36.38 32.69 3icq s VAL 120 CO 0.05 -0.54 1.17 -0.22 -0.31 0.00 0.00 175.10 175.24 3icq s LEU 121 N 1.62 4.38 -0.08 1.32 2.96 -0.85 -2.13 118.68 125.91 3icq s LEU 121 Ca 0.04 1.98 0.03 0.00 -0.22 0.00 0.00 54.13 55.96 3icq s LEU 121 Cb -0.24 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 42.88 3icq s LEU 121 CO 0.06 -0.43 -0.15 0.00 -1.32 0.00 0.00 176.35 174.52 3icq s GLY 123 N 0.64 1.82 0.29 0.00 0.00 0.30 -2.09 107.32 108.29 3icq s GLY 123 Ca -0.14 -1.07 0.07 0.00 0.00 0.00 0.00 44.72 43.58 3icq s GLY 123 CO 0.04 1.26 0.22 0.21 0.00 0.00 0.00 173.10 174.83 3icq s ASN 124 N 1.78 5.32 -0.54 1.64 2.47 0.10 -0.21 114.94 125.49 3icq s ASN 124 Ca 0.18 -0.40 -0.01 0.00 0.42 0.00 0.00 52.86 53.05 3icq s ASN 124 Cb -0.16 -1.16 0.00 0.00 -1.45 0.00 0.00 41.25 38.49 3icq s ASN 124 CO 0.14 -0.18 0.46 0.29 -3.72 0.00 0.00 177.10 174.08 3icq n LYS 125 N -1.24 -3.03 0.07 0.43 5.02 -1.10 -0.07 118.16 118.24 3icq n LYS 125 Ca -0.05 0.37 0.12 0.00 -2.02 0.00 0.00 58.31 56.74 3icq n LYS 125 Cb 0.59 -3.99 0.27 0.00 -0.02 0.00 0.00 35.03 31.88 3icq n LYS 125 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3icq n VAL 126 N -2.60 0.43 0.32 -0.18 0.31 -1.20 -3.40 118.33 112.02 3icq n VAL 126 Ca -0.10 -0.27 0.15 0.00 -0.01 0.00 0.00 64.34 64.11 3icq n VAL 126 Cb 0.57 -0.29 0.64 0.00 -0.91 0.00 0.00 33.84 33.84 3icq n VAL 126 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 3icq h ASP 127 N 0.00 0.00 -3.38 4.52 2.03 -1.92 -3.41 116.42 114.26 3icq h ASP 127 Ca 0.00 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 55.70 3icq h ASP 127 Cb 0.73 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 39.13 3icq h ASP 127 CO 0.00 0.00 0.33 -0.69 -1.03 0.00 0.00 179.24 177.85 3icq s VAL 128 N -3.54 4.90 0.19 4.15 1.01 -1.22 -4.97 120.40 120.92 3icq s VAL 128 Ca 0.01 1.35 -0.15 0.00 0.00 0.00 0.00 61.98 63.19 3icq s VAL 128 Cb 0.09 -4.04 0.16 0.00 0.00 0.00 0.00 36.38 32.60 3icq s VAL 128 CO 0.42 -0.04 1.65 0.11 0.00 0.00 0.00 175.10 177.24 3icq h LYS 129 N 7.80 -0.01 -6.67 2.72 6.56 -1.91 -3.41 116.57 121.65 3icq h LYS 129 Ca -0.25 0.00 -0.51 0.00 -1.06 0.00 0.00 60.65 58.83 3icq h LYS 129 Cb 1.11 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.77 3icq h LYS 129 CO 0.83 -0.00 0.46 -1.83 -2.06 0.00 0.00 179.45 176.85 3icq s GLU 130 N -6.22 4.62 -0.10 3.15 1.03 -1.26 -5.04 118.70 114.88 3icq s GLU 130 Ca -0.14 1.70 -0.00 0.00 0.03 0.00 0.00 54.97 56.56 3icq s GLU 130 Cb 0.17 -3.27 0.02 0.00 -0.80 0.00 0.00 34.13 30.25 3icq s GLU 130 CO 0.72 0.12 -0.07 1.03 -1.33 0.00 0.00 175.26 175.74 3icq s ARG 131 N -0.51 1.34 0.32 -4.83 0.52 -1.26 -4.78 118.95 109.75 3icq s ARG 131 Ca 0.48 -0.20 0.23 0.00 -0.52 0.00 0.00 55.73 55.72 3icq s ARG 131 Cb -0.29 -1.41 0.26 0.00 0.52 0.00 0.00 34.95 34.03 3icq s ARG 131 CO 0.35 -0.23 1.41 1.57 0.02 0.00 0.00 175.30 178.43 3icq h LYS 132 N 8.00 0.00 -3.76 3.54 5.09 -1.55 -3.39 116.57 124.50 3icq h LYS 132 Ca -0.29 0.00 -0.73 0.00 0.09 0.00 0.00 60.65 59.72 3icq h LYS 132 Cb 1.14 0.00 -0.31 0.00 0.10 0.00 0.00 32.23 33.16 3icq h LYS 132 CO 0.39 0.00 -0.20 0.08 -2.09 0.00 0.00 179.45 177.63 3icq s VAL 133 N -3.25 4.47 0.19 0.07 1.01 -0.95 -4.49 120.40 117.44 3icq s VAL 133 Ca 0.05 -2.64 -0.32 0.00 0.00 0.00 0.00 61.98 59.07 3icq s VAL 133 Cb 0.08 -3.85 -0.11 0.00 0.00 0.00 0.00 36.38 32.50 3icq s VAL 133 CO 0.71 -0.92 1.64 -1.59 0.00 0.00 0.00 175.10 174.94 3icq s LYS 134 N 0.19 4.17 0.33 2.72 0.00 -1.26 -4.89 119.74 121.00 3icq s LYS 134 Ca 0.16 2.48 0.11 0.00 0.00 0.00 0.00 55.97 58.73 3icq s LYS 134 Cb -0.17 -3.11 1.00 0.00 0.00 0.00 0.00 37.83 35.54 3icq s LYS 134 CO -0.05 -0.68 1.65 0.00 0.00 0.00 0.00 175.35 176.27 3icq h ALA 135 N 6.77 1.78 0.00 0.59 0.00 -1.97 0.32 119.26 126.75 3icq h ALA 135 Ca -0.43 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3icq h ALA 135 Cb 1.20 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3icq h ALA 135 CO 0.93 -0.57 0.11 1.57 0.00 0.00 0.00 179.25 181.30 3icq h LYS 136 N 0.27 0.00 0.00 0.00 -0.00 -2.04 -1.21 116.57 113.58 3icq h LYS 136 Ca 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.34 3icq h LYS 136 Cb 1.56 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.79 3icq h LYS 136 CO -0.64 0.00 -1.01 0.25 -0.00 0.00 0.00 179.45 178.05 3icq n THR 137 N -2.82 0.01 -2.57 0.07 -2.24 0.11 -4.79 114.28 102.04 3icq n THR 137 Ca -0.02 -0.04 -0.41 0.00 -2.27 0.00 0.00 64.05 61.30 3icq n THR 137 Cb 0.17 0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 69.19 3icq n THR 137 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3icq s ILE 138 N -3.04 3.92 -0.03 2.28 1.01 -0.46 -4.67 121.20 120.21 3icq s ILE 138 Ca 0.07 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 60.15 3icq s ILE 138 Cb 0.16 -5.03 -0.04 0.00 0.01 0.00 0.00 42.46 37.56 3icq s ILE 138 CO 0.85 -1.91 0.02 0.41 0.00 0.00 0.00 174.94 174.32 3icq n THR 139 N 6.76 0.18 -0.26 2.92 -1.04 -1.26 -4.85 114.28 116.73 3icq n THR 139 Ca 0.28 -0.13 0.01 0.00 -2.04 0.00 0.00 64.05 62.17 3icq n THR 139 Cb 0.51 -0.65 0.05 0.00 -1.82 0.00 0.00 70.33 68.41 3icq n THR 139 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 3icq n PHE 140 N -2.02 0.10 -0.27 -1.42 7.35 -1.26 0.37 117.46 120.31 3icq n PHE 140 Ca -0.04 0.85 0.17 0.00 -0.76 0.00 0.00 57.45 57.67 3icq n PHE 140 Cb 0.51 -0.81 0.46 0.00 0.35 0.00 0.00 39.48 39.99 3icq n PHE 140 CO 0.00 0.00 0.00 1.12 -0.76 0.00 0.00 176.76 177.12 3icq h HIS 141 N 0.00 0.68 0.00 -5.13 2.07 -1.88 0.31 115.15 111.20 3icq h HIS 141 Ca 0.27 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.81 3icq h HIS 141 Cb 0.44 -0.21 0.00 0.00 2.57 0.00 0.00 27.41 30.22 3icq h HIS 141 CO -0.58 0.18 0.00 0.54 -3.07 0.00 0.00 177.93 175.00 3icq n ARG 142 N -4.57 0.25 0.00 5.12 3.00 0.16 0.68 116.66 121.31 3icq n ARG 142 Ca 0.20 0.25 0.11 0.00 -0.01 0.00 0.00 57.85 58.40 3icq n ARG 142 Cb 0.65 -1.82 0.02 0.00 0.00 0.00 0.00 32.46 31.31 3icq n ARG 142 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 3icq n LYS 143 N -2.27 1.12 -0.20 5.56 2.85 0.10 -4.18 118.16 121.15 3icq n LYS 143 Ca 0.05 -0.91 0.01 0.00 -1.05 0.00 0.00 58.31 56.41 3icq n LYS 143 Cb 0.40 -1.48 0.02 0.00 -0.65 0.00 0.00 35.03 33.32 3icq n LYS 143 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3icq n LYS 144 N -0.14 0.58 -3.62 -1.58 4.76 -0.80 -5.04 118.16 112.32 3icq n LYS 144 Ca 0.09 -1.12 -0.26 0.00 -2.87 0.00 0.00 58.31 54.15 3icq n LYS 144 Cb 0.45 -0.71 0.03 0.00 -1.84 0.00 0.00 35.03 32.96 3icq n LYS 144 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3icq n ASN 145 N -0.27 -5.58 -4.26 4.39 3.02 -0.40 -5.00 115.26 107.15 3icq n ASN 145 Ca 0.02 -0.88 -0.28 0.00 -0.03 0.00 0.00 54.58 53.41 3icq n ASN 145 Cb 0.56 -3.28 -0.16 0.00 -0.61 0.00 0.00 39.78 36.30 3icq n ASN 145 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3icq s LEU 146 N -5.86 2.06 0.31 3.41 1.43 0.21 -5.02 118.68 115.23 3icq s LEU 146 Ca 0.32 -0.43 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 3icq s LEU 146 Cb -0.12 -1.15 -0.10 0.00 0.03 0.00 0.00 46.19 44.85 3icq s LEU 146 CO 0.86 0.27 1.21 -1.58 0.23 0.00 0.00 176.35 177.34 3icq s GLN 147 N -0.62 4.47 0.22 1.70 2.00 -1.26 -4.52 119.66 121.65 3icq s GLN 147 Ca 0.09 2.03 0.10 0.00 -2.00 0.00 0.00 55.36 55.58 3icq s GLN 147 Cb -0.09 -3.11 -0.05 0.00 0.80 0.00 0.00 33.01 30.56 3icq s GLN 147 CO -0.00 -0.02 -0.19 -0.47 -0.50 0.00 0.00 175.29 174.11 3icq s TYR 148 N -1.16 2.01 -0.16 1.67 5.04 -1.26 -2.00 117.35 121.50 3icq s TYR 148 Ca 0.47 -0.44 -0.18 0.00 -2.44 0.00 0.00 57.07 54.49 3icq s TYR 148 Cb -0.36 -0.94 0.05 0.00 0.35 0.00 0.00 41.96 41.06 3icq s TYR 148 CO 0.47 0.49 0.48 0.71 -1.34 0.00 0.00 175.55 176.37 3icq s TYR 149 N -2.40 -0.50 -0.33 4.97 2.02 -0.89 -4.98 117.35 115.24 3icq s TYR 149 Ca 0.23 1.19 -0.13 0.00 -0.37 0.00 0.00 57.07 57.99 3icq s TYR 149 Cb -0.04 0.19 -0.02 0.00 -0.40 0.00 0.00 41.96 41.68 3icq s TYR 149 CO 0.10 -0.29 0.23 0.34 -1.57 0.00 0.00 175.55 174.36 3icq s ASP 150 N 0.01 6.06 0.18 2.29 2.15 -1.26 -0.54 116.67 125.56 3icq s ASP 150 Ca -0.02 -0.35 0.01 0.00 0.43 0.00 0.00 52.55 52.62 3icq s ASP 150 Cb -0.03 -2.14 -0.05 0.00 -0.30 0.00 0.00 42.92 40.40 3icq s ASP 150 CO 0.02 -0.20 0.04 0.27 -0.17 0.00 0.00 175.17 175.12 3icq s ILE 151 N 1.73 0.50 -0.07 4.11 -5.25 0.71 -4.70 121.20 118.25 3icq s ILE 151 Ca 0.06 -1.97 -0.03 0.00 -0.99 0.00 0.00 60.65 57.72 3icq s ILE 151 Cb -0.17 -2.24 0.04 0.00 2.95 0.00 0.00 42.46 43.04 3icq s ILE 151 CO 0.11 -0.34 0.12 -0.55 -1.79 0.00 0.00 174.94 172.49 3icq s SER 152 N -3.18 0.81 0.00 4.36 0.15 -1.13 -2.70 113.70 112.02 3icq s SER 152 Ca 0.28 0.24 0.24 0.00 0.70 0.00 0.00 55.95 57.41 3icq s SER 152 Cb 0.07 0.13 1.03 0.00 -1.71 0.00 0.00 66.02 65.54 3icq s SER 152 CO 0.06 -0.24 1.77 0.00 1.20 0.00 0.00 173.24 176.03 3icq n ALA 153 N 5.23 2.10 -0.07 5.45 0.00 -1.26 -0.99 120.51 130.98 3icq n ALA 153 Ca -0.06 -0.08 -0.09 0.00 0.00 0.00 0.00 53.44 53.20 3icq n ALA 153 Cb 0.50 -1.39 -0.07 0.00 0.00 0.00 0.00 19.45 18.50 3icq n ALA 153 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3icq h LYS 154 N 0.00 0.00 0.00 0.00 -0.00 -1.97 -3.38 116.57 111.22 3icq h LYS 154 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 3icq h LYS 154 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.62 3icq h LYS 154 CO 0.00 0.52 -0.30 -1.13 -0.00 0.00 0.00 179.45 178.54 3icq n SER 155 N -4.64 0.36 -1.30 7.07 3.41 -1.24 -4.92 113.62 112.37 3icq n SER 155 Ca -0.10 0.11 -0.15 0.00 -0.26 0.00 0.00 58.87 58.47 3icq n SER 155 Cb 0.32 -0.10 -0.05 0.00 -0.26 0.00 0.00 64.21 64.13 3icq n SER 155 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3icq n ASN 156 N -1.62 -4.74 -4.66 4.04 3.02 -0.16 -4.92 115.26 106.23 3icq n ASN 156 Ca 0.06 0.27 -0.42 0.00 -0.03 0.00 0.00 54.58 54.45 3icq n ASN 156 Cb 0.35 -3.65 -0.03 0.00 -0.61 0.00 0.00 39.78 35.85 3icq n ASN 156 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3icq s TYR 157 N -2.61 1.88 -1.17 3.10 5.04 -1.15 -2.01 117.35 120.42 3icq s TYR 157 Ca 0.00 0.08 0.00 0.00 -2.44 0.00 0.00 57.07 54.71 3icq s TYR 157 Cb 0.00 -3.98 0.00 0.00 0.35 0.00 0.00 41.96 38.33 3icq s TYR 157 CO 0.00 -4.19 0.00 0.09 -1.34 0.00 0.00 175.55 170.11 3icq n ASN 158 N 7.09 -4.60 0.24 4.32 3.02 -1.26 -2.81 115.26 121.25 3icq n ASN 158 Ca 0.18 0.27 0.13 0.00 -0.03 0.00 0.00 54.58 55.13 3icq n ASN 158 Cb 0.42 -3.65 0.68 0.00 -0.61 0.00 0.00 39.78 36.63 3icq n ASN 158 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 3icq h PHE 159 N 0.00 0.00 -0.01 3.10 -0.00 -1.69 -0.45 116.94 117.89 3icq h PHE 159 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.74 3icq h PHE 159 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.95 3icq h PHE 159 CO 0.49 0.00 -0.58 0.39 -0.00 0.00 0.00 178.31 178.61 3icq n GLU 160 N -2.49 1.17 0.25 6.09 1.02 -1.26 -4.63 120.64 120.79 3icq n GLU 160 Ca -0.02 -0.64 -0.14 0.00 -0.02 0.00 0.00 57.16 56.34 3icq n GLU 160 Cb 0.21 -1.40 -0.07 0.00 -0.02 0.00 0.00 31.44 30.16 3icq n GLU 160 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3icq h LYS 161 N 1.52 -0.76 -0.76 3.49 1.79 -1.46 -1.62 116.57 118.77 3icq h LYS 161 Ca 0.00 0.05 0.14 0.00 -2.18 0.00 0.00 60.65 58.67 3icq h LYS 161 Cb 0.61 0.17 -0.14 0.00 -1.58 0.00 0.00 32.23 31.29 3icq h LYS 161 CO 0.00 -0.51 -0.25 -1.35 -1.08 0.00 0.00 179.45 176.26 3icq h PRO 162 N -0.79 -0.04 -0.11 3.15 0.11 -1.82 0.11 132.00 132.61 3icq h PRO 162 Ca -0.06 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.96 3icq h PRO 162 Cb 0.66 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 3icq h PRO 162 CO 0.00 -0.03 -0.36 0.74 -0.21 0.00 0.00 178.00 178.15 3icq h PHE 163 N -0.04 0.25 -0.33 0.65 0.04 -1.84 -2.35 116.94 113.32 3icq h PHE 163 Ca 0.34 -0.06 -0.10 0.00 2.80 0.00 0.00 57.97 60.95 3icq h PHE 163 Cb 0.57 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 3icq h PHE 163 CO -0.65 0.55 -0.18 1.25 -0.60 0.00 0.00 178.31 178.68 3icq h LEU 164 N 0.19 0.73 0.28 1.54 5.85 -0.03 -1.80 115.31 122.06 3icq h LEU 164 Ca 0.02 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 3icq h LEU 164 Cb 0.72 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3icq h LEU 164 CO 0.05 0.99 -0.13 -0.25 -0.34 0.00 0.00 178.44 178.76 3icq h TRP 165 N 0.47 -0.34 -0.90 1.25 7.01 -0.97 -1.93 115.95 120.54 3icq h TRP 165 Ca 0.07 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.12 3icq h TRP 165 Cb 0.72 0.11 -0.06 0.00 -2.10 0.00 0.00 29.16 27.84 3icq h TRP 165 CO 0.06 -0.09 0.59 -0.07 -2.79 0.00 0.00 178.44 176.13 3icq h LEU 166 N -0.55 0.90 -1.25 0.65 3.38 -1.48 -1.55 115.31 115.41 3icq h LEU 166 Ca -0.04 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3icq h LEU 166 Cb 0.40 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3icq h LEU 166 CO 0.06 0.58 -0.37 0.00 0.09 0.00 0.00 178.44 178.81 3icq h ALA 167 N 1.51 1.38 0.00 1.53 0.00 -1.18 0.12 119.26 122.62 3icq h ALA 167 Ca 0.39 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3icq h ALA 167 Cb 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3icq h ALA 167 CO -0.14 0.47 -0.10 0.54 0.00 0.00 0.00 179.25 180.01 3icq n ARG 168 N -4.10 0.05 -0.12 0.00 1.74 -0.62 -2.41 116.66 111.20 3icq n ARG 168 Ca -0.02 0.04 -0.23 0.00 -0.77 0.00 0.00 57.85 56.87 3icq n ARG 168 Cb 0.40 -1.55 -0.09 0.00 -1.02 0.00 0.00 32.46 30.21 3icq n ARG 168 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3icq n LYS 169 N -1.64 0.57 0.26 5.56 4.76 -0.94 -2.15 118.16 124.58 3icq n LYS 169 Ca 0.06 0.34 0.18 0.00 -2.87 0.00 0.00 58.31 56.02 3icq n LYS 169 Cb 0.36 -1.55 0.89 0.00 -1.84 0.00 0.00 35.03 32.89 3icq n LYS 169 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3icq h LEU 170 N -1.00 0.00 0.03 -0.35 3.38 -0.87 0.14 115.31 116.65 3icq h LEU 170 Ca -0.46 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.13 3icq h LEU 170 Cb 1.37 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.07 3icq h LEU 170 CO -0.28 0.00 -2.30 0.00 0.09 0.00 0.00 178.44 175.94 3icq n ALA 171 N -2.14 1.30 -0.72 1.53 0.00 -1.01 -4.97 120.51 114.49 3icq n ALA 171 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.47 3icq n ALA 171 Cb 0.33 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.47 3icq n ALA 171 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3icq n GLY 172 N 2.10 0.62 3.14 0.00 0.00 0.49 -5.02 105.19 106.52 3icq n GLY 172 Ca -0.39 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 3icq n GLY 172 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3icq s ASN 173 N -2.19 5.12 0.64 1.61 3.04 -1.10 -4.98 114.94 117.09 3icq s ASN 173 Ca 0.00 -1.75 0.41 0.00 0.04 0.00 0.00 52.86 51.56 3icq s ASN 173 Cb 0.00 -1.78 2.24 0.00 -1.54 0.00 0.00 41.25 40.17 3icq s ASN 173 CO 0.00 -0.43 2.33 -0.65 -3.04 0.00 0.00 177.10 175.30 3icq h PRO 174 N 8.02 0.00 -0.71 0.43 0.11 -1.96 -2.52 132.00 135.37 3icq h PRO 174 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3icq h PRO 174 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3icq h PRO 174 CO 0.63 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.46 3icq n GLN 175 N -3.25 2.96 -0.31 1.05 3.00 -1.26 -4.54 117.38 115.02 3icq n GLN 175 Ca -0.03 -1.70 -0.04 0.00 -0.01 0.00 0.00 57.00 55.22 3icq n GLN 175 Cb 0.09 -1.82 0.01 0.00 0.00 0.00 0.00 30.24 28.51 3icq n GLN 175 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 3icq h LEU 176 N 2.24 -1.45 0.00 1.08 -0.00 -1.84 -3.54 115.31 111.80 3icq h LEU 176 Ca 0.00 0.28 0.00 0.00 -0.00 0.00 0.00 57.88 58.16 3icq h LEU 176 Cb 1.19 0.72 0.00 0.00 -0.00 0.00 0.00 40.66 42.57 3icq h LEU 176 CO 0.23 -0.30 0.00 -0.62 -0.00 0.00 0.00 178.44 177.75