#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c41 s THR 5 N 0.00 1.34 0.25 4.28 -4.23 -1.26 -5.03 115.64 110.99 2c41 s THR 5 Ca 0.00 -2.06 -0.06 0.00 -1.18 0.00 0.00 61.69 58.39 2c41 s THR 5 Cb 0.00 -2.53 0.24 0.00 1.34 0.00 0.00 72.50 71.55 2c41 s THR 5 CO 0.00 -0.22 1.91 0.74 -0.54 0.00 0.00 174.62 176.51 2c41 h THR 6 N 2.28 1.26 -0.53 3.99 2.02 -2.06 -1.35 112.91 118.51 2c41 h THR 6 Ca -0.40 -0.53 -0.12 0.00 0.77 0.00 0.00 66.41 66.13 2c41 h THR 6 Cb 1.23 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 2c41 h THR 6 CO 0.67 0.26 -0.14 0.25 0.37 0.00 0.00 175.52 176.93 2c41 h LEU 7 N 1.30 1.04 -0.95 2.58 5.85 -1.99 -1.09 115.31 122.05 2c41 h LEU 7 Ca 0.34 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.73 2c41 h LEU 7 Cb -0.09 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.61 2c41 h LEU 7 CO -0.07 1.16 0.62 0.11 -0.34 0.00 0.00 178.44 179.92 2c41 h LYS 8 N 0.90 1.19 -0.66 1.25 1.57 -1.85 -1.13 116.57 117.85 2c41 h LYS 8 Ca 0.13 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2c41 h LYS 8 Cb 0.72 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 2c41 h LYS 8 CO 0.05 0.79 0.27 1.49 -0.57 0.00 0.00 179.45 181.49 2c41 h GLU 9 N 1.23 0.97 -0.58 3.15 4.57 -0.89 -1.83 114.58 121.19 2c41 h GLU 9 Ca 0.37 -0.15 -0.07 0.00 -1.18 0.00 0.00 59.36 58.33 2c41 h GLU 9 Cb -0.05 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.35 2c41 h GLU 9 CO -0.10 0.78 0.11 1.96 -1.18 0.00 0.00 179.01 180.58 2c41 h GLN 10 N 0.95 0.95 -0.42 1.92 4.20 -0.17 -0.60 115.11 121.95 2c41 h GLN 10 Ca 0.23 -0.25 0.03 0.00 0.06 0.00 0.00 58.65 58.72 2c41 h GLN 10 Cb 0.17 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 2c41 h GLN 10 CO -0.02 0.90 0.21 0.28 -0.67 0.00 0.00 178.83 179.52 2c41 h VAL 11 N 0.86 0.97 -0.96 -0.54 2.07 -1.06 -1.67 116.25 115.91 2c41 h VAL 11 Ca 0.18 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.59 2c41 h VAL 11 Cb 0.40 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 2c41 h VAL 11 CO 0.01 0.08 0.63 -0.07 0.02 0.00 0.00 177.57 178.23 2c41 h LEU 12 N 0.42 1.05 -0.75 2.57 3.38 -0.96 -1.70 115.31 119.31 2c41 h LEU 12 Ca 0.18 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2c41 h LEU 12 Cb 0.09 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 2c41 h LEU 12 CO -0.13 0.73 0.44 0.74 0.09 0.00 0.00 178.44 180.30 2c41 h THR 13 N 1.22 1.22 -0.72 0.22 2.02 -0.56 -2.21 112.91 114.10 2c41 h THR 13 Ca 0.38 -0.51 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 2c41 h THR 13 Cb -0.02 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 66.56 2c41 h THR 13 CO -0.11 0.24 0.37 0.71 0.37 0.00 0.00 175.52 177.10 2c41 h THR 14 N 1.03 1.23 -0.78 3.16 1.35 -0.47 -2.42 112.91 116.00 2c41 h THR 14 Ca 0.27 -0.59 -0.05 0.00 -0.55 0.00 0.00 66.41 65.49 2c41 h THR 14 Cb -0.00 0.30 -0.03 0.00 -1.73 0.00 0.00 68.15 66.69 2c41 h THR 14 CO -0.05 0.26 0.30 -0.07 -0.25 0.00 0.00 175.52 175.71 2c41 h LEU 15 N 0.99 1.09 -0.14 3.87 3.38 -0.99 0.63 115.31 124.13 2c41 h LEU 15 Ca 0.25 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2c41 h LEU 15 Cb 0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2c41 h LEU 15 CO -0.04 0.97 0.08 0.11 0.09 0.00 0.00 178.44 179.65 2c41 h LYS 16 N 1.14 0.20 -0.41 1.13 1.57 -1.19 0.19 116.57 119.21 2c41 h LYS 16 Ca 0.26 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2c41 h LYS 16 Cb 0.23 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2c41 h LYS 16 CO -0.02 0.23 0.25 -0.09 -0.57 0.00 0.00 179.45 179.25 2c41 h ARG 17 N 0.12 0.55 -0.46 3.15 2.43 -1.20 -0.67 114.38 118.29 2c41 h ARG 17 Ca 0.05 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2c41 h ARG 17 Cb 0.09 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2c41 h ARG 17 CO -0.01 0.41 0.14 0.93 -1.51 0.00 0.00 179.97 179.93 2c41 h GLU 18 N 0.54 0.72 -0.31 0.20 4.39 -0.74 0.08 114.58 119.47 2c41 h GLU 18 Ca 0.15 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2c41 h GLU 18 Cb -0.01 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 2c41 h GLU 18 CO -0.03 0.69 0.17 0.37 -1.16 0.00 0.00 179.01 179.05 2c41 h GLN 19 N 0.61 0.43 -0.74 2.33 4.15 -0.46 -0.86 115.11 120.57 2c41 h GLN 19 Ca 0.15 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.53 2c41 h GLN 19 Cb 0.28 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.84 2c41 h GLN 19 CO -0.00 0.36 0.49 0.00 -1.93 0.00 0.00 178.83 177.75 2c41 h ALA 20 N 1.04 0.95 -0.85 3.38 0.00 -0.93 -1.68 119.26 121.17 2c41 h ALA 20 Ca 0.11 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2c41 h ALA 20 Cb 0.06 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 2c41 h ALA 20 CO -0.02 0.35 0.54 -0.91 0.00 0.00 0.00 179.25 179.21 2c41 h ASN 21 N 1.00 0.90 -0.72 0.00 -0.26 -0.67 -1.37 115.58 114.45 2c41 h ASN 21 Ca 0.28 -0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.99 2c41 h ASN 21 Cb -0.10 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 36.93 2c41 h ASN 21 CO -0.07 0.62 0.38 0.00 -1.06 0.00 0.00 177.43 177.30 2c41 h ALA 22 N 1.35 0.93 -0.00 -0.83 0.00 -0.44 0.12 119.26 120.39 2c41 h ALA 22 Ca 0.34 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2c41 h ALA 22 Cb 0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2c41 h ALA 22 CO -0.12 0.46 0.00 0.28 0.00 0.00 0.00 179.25 179.88 2c41 h VAL 23 N 1.00 1.12 -0.54 0.00 2.07 -0.95 -0.01 116.25 118.94 2c41 h VAL 23 Ca 0.25 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 2c41 h VAL 23 Cb 0.07 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 2c41 h VAL 23 CO -0.04 0.09 0.07 0.58 0.02 0.00 0.00 177.57 178.29 2c41 h VAL 24 N -0.14 1.26 -0.77 2.57 2.07 -1.13 -1.22 116.25 118.89 2c41 h VAL 24 Ca 0.00 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 2c41 h VAL 24 Cb 0.15 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 2c41 h VAL 24 CO -0.00 0.36 0.47 -0.03 0.02 0.00 0.00 177.57 178.38 2c41 h MET 25 N 0.79 1.05 0.15 1.57 -1.53 -0.71 0.14 114.93 116.39 2c41 h MET 25 Ca 0.16 -0.09 -0.01 0.00 -3.44 0.00 0.00 59.70 56.32 2c41 h MET 25 Cb 0.43 -0.22 0.00 0.00 -0.55 0.00 0.00 31.60 31.27 2c41 h MET 25 CO 0.01 0.74 -0.07 -0.92 0.14 0.00 0.00 176.91 176.81 2c41 h TYR 26 N 1.06 -0.18 -0.74 1.39 3.20 -0.71 -0.88 116.97 120.10 2c41 h TYR 26 Ca 0.28 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 2c41 h TYR 26 Cb -0.04 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 2c41 h TYR 26 CO -0.01 -0.10 0.43 -0.07 -1.64 0.00 0.00 178.16 176.77 2c41 h LEU 27 N -0.21 0.89 -0.31 2.82 3.38 -0.87 -0.69 115.31 120.32 2c41 h LEU 27 Ca -0.02 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.93 2c41 h LEU 27 Cb 0.16 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2c41 h LEU 27 CO 0.03 0.70 0.11 0.78 0.09 0.00 0.00 178.44 180.15 2c41 h ASN 28 N 1.02 0.13 -0.79 -0.43 -0.26 -0.54 -1.66 115.58 113.05 2c41 h ASN 28 Ca 0.26 0.03 0.03 0.00 -0.56 0.00 0.00 56.30 56.07 2c41 h ASN 28 Cb -0.02 0.01 -0.04 0.00 -1.06 0.00 0.00 38.32 37.21 2c41 h ASN 28 CO -0.05 0.11 0.52 1.88 -1.06 0.00 0.00 177.43 178.83 2c41 h TYR 29 N 0.25 0.94 -0.43 1.19 0.05 -0.15 -1.46 116.97 117.37 2c41 h TYR 29 Ca 0.14 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.90 2c41 h TYR 29 Cb 0.10 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.51 2c41 h TYR 29 CO -0.13 0.55 0.12 0.87 -1.05 0.00 0.00 178.16 178.52 2c41 h LYS 30 N 0.98 0.68 -0.44 4.88 1.79 -0.81 0.95 116.57 124.60 2c41 h LYS 30 Ca 0.31 -0.15 0.09 0.00 -2.18 0.00 0.00 60.65 58.71 2c41 h LYS 30 Cb 0.03 -0.09 -0.08 0.00 -1.58 0.00 0.00 32.23 30.51 2c41 h LYS 30 CO -0.09 0.67 -0.03 -0.22 -1.08 0.00 0.00 179.45 178.71 2c41 h LYS 31 N 0.56 0.08 -0.36 3.15 3.64 -0.60 0.06 116.57 123.09 2c41 h LYS 31 Ca 0.14 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 2c41 h LYS 31 Cb 0.29 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2c41 h LYS 31 CO -0.00 0.05 0.12 1.88 -2.27 0.00 0.00 179.45 179.23 2c41 h TYR 32 N 0.08 0.58 -0.47 1.91 0.05 -0.92 0.50 116.97 118.70 2c41 h TYR 32 Ca 0.22 -0.06 0.09 0.00 0.05 0.00 0.00 58.73 59.04 2c41 h TYR 32 Cb 0.33 -0.17 -0.09 0.00 1.01 0.00 0.00 36.73 37.81 2c41 h TYR 32 CO -0.31 0.55 -0.13 1.25 -1.05 0.00 0.00 178.16 178.47 2c41 h HIS 33 N 0.44 -0.28 -0.08 4.88 -0.00 -0.49 -0.87 115.15 118.75 2c41 h HIS 33 Ca 0.12 0.04 -0.21 0.00 -0.00 0.00 0.00 60.37 60.32 2c41 h HIS 33 Cb 0.24 0.20 0.00 0.00 -0.00 0.00 0.00 27.41 27.85 2c41 h HIS 33 CO 0.01 -0.21 -0.82 -1.49 -0.00 0.00 0.00 177.93 175.41 2c41 h TRP 34 N -0.01 0.77 -0.06 5.26 6.55 -0.65 -3.36 115.95 124.45 2c41 h TRP 34 Ca 0.23 -0.36 0.00 0.00 0.95 0.00 0.00 58.89 59.70 2c41 h TRP 34 Cb 0.36 -0.11 0.00 0.00 -0.86 0.00 0.00 29.16 28.55 2c41 h TRP 34 CO -0.41 1.16 0.00 1.28 -1.05 0.00 0.00 178.44 179.42 2c41 n LEU 35 N -3.85 2.65 -4.75 -4.49 4.77 0.14 -4.96 117.00 106.51 2c41 n LEU 35 Ca -0.06 -1.06 -0.33 0.00 -0.03 0.00 0.00 56.01 54.52 2c41 n LEU 35 Cb 0.76 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.90 2c41 n LEU 35 CO 0.51 0.48 0.76 0.28 -1.33 0.00 0.00 177.39 178.09 2c41 s THR 36 N -1.55 2.83 0.29 -5.08 -1.32 -0.35 -4.97 115.64 105.50 2c41 s THR 36 Ca 0.23 0.39 -0.20 0.00 -1.21 0.00 0.00 61.69 60.90 2c41 s THR 36 Cb 0.16 -2.92 0.03 0.00 -1.51 0.00 0.00 72.50 68.26 2c41 s THR 36 CO 0.24 -0.23 0.73 -0.72 -2.21 0.00 0.00 174.62 172.43 2c41 s TYR 37 N -2.20 -0.15 0.00 9.09 -0.85 -1.26 -5.01 117.35 116.97 2c41 s TYR 37 Ca 0.70 -0.35 0.00 0.00 -0.52 0.00 0.00 57.07 56.90 2c41 s TYR 37 Cb -0.24 0.73 0.00 0.00 0.38 0.00 0.00 41.96 42.83 2c41 s TYR 37 CO 0.43 -1.29 0.00 0.41 -1.52 0.00 0.00 175.55 173.59 2c41 n GLY 38 N -0.47 0.25 0.09 5.49 0.00 -1.26 -4.55 105.19 104.74 2c41 n GLY 38 Ca -0.05 -2.05 0.07 0.00 0.00 0.00 0.00 46.02 43.99 2c41 n GLY 38 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2c41 n PRO 39 N -0.07 0.08 -0.60 1.61 -0.02 -1.26 -1.18 135.00 133.57 2c41 n PRO 39 Ca 0.00 0.57 0.09 0.00 -2.02 0.00 0.00 63.50 62.13 2c41 n PRO 39 Cb 0.00 -1.76 0.34 0.00 -0.02 0.00 0.00 33.50 32.06 2c41 n PRO 39 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2c41 n LEU 40 N -1.94 4.56 0.00 2.45 4.77 -1.26 -4.77 117.00 120.81 2c41 n LEU 40 Ca -0.01 -2.30 -0.11 0.00 -0.03 0.00 0.00 56.01 53.56 2c41 n LEU 40 Cb 0.03 -0.57 -0.05 0.00 -2.33 0.00 0.00 43.42 40.50 2c41 n LEU 40 CO 0.06 0.76 0.62 0.15 -1.33 0.00 0.00 177.39 177.65 2c41 h PHE 41 N 3.86 -1.02 -0.11 -1.77 3.57 -1.39 -1.00 116.94 119.08 2c41 h PHE 41 Ca 0.00 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 2c41 h PHE 41 Cb 1.41 0.47 -0.01 0.00 2.79 0.00 0.00 35.95 40.61 2c41 h PHE 41 CO 0.75 -0.44 0.06 -0.09 -2.23 0.00 0.00 178.31 176.36 2c41 h ARG 42 N -0.44 0.15 -0.42 1.11 2.43 -1.86 0.28 114.38 115.62 2c41 h ARG 42 Ca 0.09 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.30 2c41 h ARG 42 Cb 0.59 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.05 2c41 h ARG 42 CO -0.37 0.18 0.13 0.22 -1.51 0.00 0.00 179.97 178.62 2c41 h ASP 43 N 0.09 0.11 -0.11 -3.80 3.58 -1.86 -1.23 116.42 113.20 2c41 h ASP 43 Ca 0.04 0.06 -0.23 0.00 0.42 0.00 0.00 57.03 57.31 2c41 h ASP 43 Cb 0.07 0.05 0.01 0.00 1.72 0.00 0.00 39.33 41.18 2c41 h ASP 43 CO -0.01 0.10 -0.85 -0.07 -2.88 0.00 0.00 179.24 175.54 2c41 h LEU 44 N 0.29 0.94 -0.62 2.28 3.38 -0.96 -0.90 115.31 119.72 2c41 h LEU 44 Ca 0.20 -0.65 0.11 0.00 0.09 0.00 0.00 57.88 57.63 2c41 h LEU 44 Cb 0.21 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.59 2c41 h LEU 44 CO -0.22 1.45 0.16 -0.74 0.09 0.00 0.00 178.44 179.18 2c41 h HIS 45 N 0.51 0.27 -0.16 1.13 2.76 -0.21 -0.10 115.15 119.34 2c41 h HIS 45 Ca -0.07 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.09 2c41 h HIS 45 Cb 1.48 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 30.41 2c41 h HIS 45 CO 0.09 -0.00 -0.07 -0.07 -1.30 0.00 0.00 177.93 176.58 2c41 h LEU 46 N 0.30 0.34 -0.37 0.26 3.38 -1.15 -2.50 115.31 115.57 2c41 h LEU 46 Ca 0.32 -0.41 0.08 0.00 0.09 0.00 0.00 57.88 57.97 2c41 h LEU 46 Cb 0.47 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.04 2c41 h LEU 46 CO -0.39 0.67 -0.23 0.25 0.09 0.00 0.00 178.44 178.83 2c41 h LEU 47 N 0.01 -0.77 -0.94 1.67 5.85 -0.65 0.22 115.31 120.71 2c41 h LEU 47 Ca 0.04 0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 2c41 h LEU 47 Cb 0.54 0.39 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 2c41 h LEU 47 CO 0.02 -0.26 0.13 -0.26 -0.34 0.00 0.00 178.44 177.73 2c41 h PHE 48 N -0.17 0.94 -0.41 1.25 0.05 -1.05 -0.34 116.94 117.21 2c41 h PHE 48 Ca 0.18 -0.10 -0.11 0.00 3.82 0.00 0.00 57.97 61.77 2c41 h PHE 48 Cb 0.46 -0.27 -0.01 0.00 2.00 0.00 0.00 35.95 38.12 2c41 h PHE 48 CO -0.45 0.79 -0.16 1.49 -0.18 0.00 0.00 178.31 179.80 2c41 h GLU 49 N 0.87 0.84 0.16 1.51 4.57 -0.94 -0.14 114.58 121.45 2c41 h GLU 49 Ca 0.19 -0.35 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 2c41 h GLU 49 Cb 0.33 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 2c41 h GLU 49 CO 0.00 0.98 -0.08 0.93 -1.18 0.00 0.00 179.01 179.67 2c41 h GLU 50 N 0.66 -0.20 -0.42 1.92 5.08 -0.18 0.71 114.58 122.14 2c41 h GLU 50 Ca 0.10 0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 2c41 h GLU 50 Cb 0.71 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2c41 h GLU 50 CO 0.05 0.04 -0.25 1.96 -1.00 0.00 0.00 179.01 179.81 2c41 h GLN 51 N -0.43 0.88 -0.80 2.33 4.20 -1.15 -2.46 115.11 117.68 2c41 h GLN 51 Ca -0.02 -0.38 0.07 0.00 0.06 0.00 0.00 58.65 58.38 2c41 h GLN 51 Cb 0.34 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.02 2c41 h GLN 51 CO 0.04 1.03 0.47 0.78 -0.67 0.00 0.00 178.83 180.47 2c41 h GLY 52 N 0.91 1.21 1.42 3.46 0.00 -0.95 -1.30 103.07 107.82 2c41 h GLY 52 Ca 0.09 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 2c41 h GLY 52 CO 0.07 0.18 -0.03 1.76 0.00 0.00 0.00 176.54 178.52 2c41 h SER 53 N 0.83 0.68 -0.41 0.19 0.02 -0.54 0.12 113.55 114.43 2c41 h SER 53 Ca 0.37 -0.16 -0.13 0.00 -0.84 0.00 0.00 61.79 61.02 2c41 h SER 53 Cb 0.25 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2c41 h SER 53 CO -0.21 0.77 -0.24 -0.33 -1.14 0.00 0.00 176.83 175.68 2c41 h GLU 54 N 0.66 0.89 -0.56 3.45 5.08 -0.98 -2.38 114.58 120.75 2c41 h GLU 54 Ca 0.13 -0.41 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 2c41 h GLU 54 Cb 0.45 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2c41 h GLU 54 CO 0.02 1.06 0.08 0.28 -1.00 0.00 0.00 179.01 179.45 2c41 h VAL 55 N 0.72 1.26 -0.59 3.13 2.07 -1.03 -3.16 116.25 118.65 2c41 h VAL 55 Ca 0.09 -0.99 0.12 0.00 0.82 0.00 0.00 66.70 66.74 2c41 h VAL 55 Cb 0.82 0.81 -0.09 0.00 -1.52 0.00 0.00 31.29 31.30 2c41 h VAL 55 CO 0.07 0.36 0.06 0.15 0.02 0.00 0.00 177.57 178.23 2c41 h PHE 56 N 0.83 0.08 -0.10 1.57 3.04 -0.60 -0.70 116.94 121.05 2c41 h PHE 56 Ca 0.17 0.04 0.03 0.00 3.98 0.00 0.00 57.97 62.19 2c41 h PHE 56 Cb 0.43 0.06 -0.00 0.00 2.56 0.00 0.00 35.95 38.99 2c41 h PHE 56 CO 0.03 -0.09 0.09 0.00 -2.02 0.00 0.00 178.31 176.32 2c41 h ALA 57 N 1.50 1.85 0.00 2.41 0.00 -1.39 -1.68 119.26 121.94 2c41 h ALA 57 Ca 0.31 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 2c41 h ALA 57 Cb 0.47 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2c41 h ALA 57 CO -0.45 -0.14 -0.28 0.52 0.00 0.00 0.00 179.25 178.90 2c41 h MET 58 N 0.00 0.00 0.22 0.00 2.86 -1.17 -3.27 114.93 113.56 2c41 h MET 58 Ca 0.05 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.69 2c41 h MET 58 Cb 0.23 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 2c41 h MET 58 CO -0.00 0.28 -0.25 0.82 1.06 0.00 0.00 176.91 178.82 2c41 h ILE 59 N 0.00 0.45 -0.64 -1.22 2.04 -1.34 -0.22 117.51 116.58 2c41 h ILE 59 Ca -0.00 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 2c41 h ILE 59 Cb 0.67 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 2c41 h ILE 59 CO 0.04 0.00 0.13 -0.78 0.00 0.00 0.00 178.15 177.54 2c41 h ASP 60 N -0.52 0.98 -0.24 1.72 1.82 -1.74 -0.82 116.42 117.62 2c41 h ASP 60 Ca 0.00 -0.21 -0.00 0.00 -0.39 0.00 0.00 57.03 56.43 2c41 h ASP 60 Cb 0.50 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.24 2c41 h ASP 60 CO -0.08 0.96 0.14 -0.33 -1.61 0.00 0.00 179.24 178.32 2c41 h GLU 61 N 0.98 0.32 -0.34 0.28 5.08 -1.53 0.10 114.58 119.46 2c41 h GLU 61 Ca 0.20 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.38 2c41 h GLU 61 Cb 0.38 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2c41 h GLU 61 CO 0.01 0.27 -0.37 -0.07 -1.00 0.00 0.00 179.01 177.84 2c41 h LEU 62 N 0.29 0.86 -0.08 1.33 3.38 -0.93 -1.82 115.31 118.34 2c41 h LEU 62 Ca 0.08 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2c41 h LEU 62 Cb 0.03 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 2c41 h LEU 62 CO -0.02 1.13 0.01 0.00 0.09 0.00 0.00 178.44 179.66 2c41 h ALA 63 N 0.91 0.11 0.00 1.53 0.00 -1.05 -3.16 119.26 117.61 2c41 h ALA 63 Ca 0.06 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2c41 h ALA 63 Cb 0.93 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2c41 h ALA 63 CO 0.09 -0.23 -0.26 0.93 0.00 0.00 0.00 179.25 179.78 2c41 h GLU 64 N -0.11 0.00 -0.83 0.00 5.08 -0.98 -2.52 114.58 115.23 2c41 h GLU 64 Ca 0.03 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.44 2c41 h GLU 64 Cb 0.31 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 2c41 h GLU 64 CO 0.00 0.26 0.51 -0.09 -1.00 0.00 0.00 179.01 178.69 2c41 h ARG 65 N 0.00 0.92 -0.48 2.33 9.65 -1.29 -0.89 114.38 124.62 2c41 h ARG 65 Ca -0.00 -0.06 0.06 0.00 -1.10 0.00 0.00 59.98 58.88 2c41 h ARG 65 Cb 0.77 -0.21 -0.05 0.00 -1.39 0.00 0.00 29.97 29.09 2c41 h ARG 65 CO 0.03 0.61 0.19 0.77 2.80 0.00 0.00 179.97 184.37 2c41 h SER 66 N 0.95 0.22 -0.80 -3.80 0.02 -1.44 -2.32 113.55 106.37 2c41 h SER 66 Ca 0.35 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.34 2c41 h SER 66 Cb 0.13 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 2c41 h SER 66 CO -0.16 0.16 0.44 -0.07 -1.14 0.00 0.00 176.83 176.06 2c41 h LEU 67 N 0.38 1.01 -1.82 5.07 -0.00 -1.40 0.84 115.31 119.38 2c41 h LEU 67 Ca 0.22 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 58.00 2c41 h LEU 67 Cb 0.21 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.61 2c41 h LEU 67 CO -0.21 0.82 0.00 0.24 -0.00 0.00 0.00 178.44 179.28 2c41 h MET 68 N 1.12 0.00 -0.52 1.13 2.86 -0.78 -1.59 114.93 117.14 2c41 h MET 68 Ca 0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 2c41 h MET 68 Cb 0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2c41 h MET 68 CO -0.05 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.20 2c41 n LEU 69 N -2.97 5.35 -1.59 1.22 4.77 -0.91 -4.94 117.00 117.94 2c41 n LEU 69 Ca -0.00 -2.92 -0.17 0.00 -0.03 0.00 0.00 56.01 52.89 2c41 n LEU 69 Cb 0.22 -0.65 -0.04 0.00 -2.33 0.00 0.00 43.42 40.62 2c41 n LEU 69 CO 0.24 0.65 -0.19 0.47 -1.33 0.00 0.00 177.39 177.23 2c41 n ASP 70 N 0.44 -4.94 -1.36 -1.43 10.43 -0.60 -5.00 116.55 114.08 2c41 n ASP 70 Ca 0.27 0.19 0.00 0.00 2.57 0.00 0.00 54.79 57.82 2c41 n ASP 70 Cb 1.13 -3.98 0.00 0.00 1.84 0.00 0.00 41.12 40.11 2c41 n ASP 70 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2c41 n GLY 71 N -0.98 3.95 3.19 0.44 0.00 0.25 -5.00 105.19 107.03 2c41 n GLY 71 Ca -0.18 -2.13 -0.24 0.00 0.00 0.00 0.00 46.02 43.47 2c41 n GLY 71 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c41 s GLN 72 N -0.78 1.28 0.91 1.61 -0.21 -1.26 -3.79 119.66 117.41 2c41 s GLN 72 Ca 0.00 -0.79 -0.14 0.00 0.02 0.00 0.00 55.36 54.46 2c41 s GLN 72 Cb 0.00 -1.32 0.14 0.00 1.00 0.00 0.00 33.01 32.84 2c41 s GLN 72 CO 0.00 0.34 1.20 -1.25 -2.12 0.00 0.00 175.29 173.46 2c41 s PRO 73 N -0.91 1.13 0.36 2.91 0.04 -1.26 -4.88 135.00 132.39 2c41 s PRO 73 Ca 0.06 0.02 -0.28 0.00 0.04 0.00 0.00 61.00 60.84 2c41 s PRO 73 Cb -0.08 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.49 2c41 s PRO 73 CO 0.01 -2.15 1.39 0.08 0.04 0.00 0.00 177.00 176.37 2c41 s VAL 74 N -3.52 2.40 0.00 -0.36 1.01 -1.26 -4.89 120.40 113.78 2c41 s VAL 74 Ca 0.66 0.40 0.00 0.00 0.00 0.00 0.00 61.98 63.04 2c41 s VAL 74 Cb -0.10 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.02 2c41 s VAL 74 CO 0.52 0.09 0.00 0.00 0.00 0.00 0.00 175.10 175.71 2c41 n ALA 75 N 0.60 1.08 -2.13 5.51 0.00 -1.26 -5.04 120.51 119.27 2c41 n ALA 75 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2c41 n ALA 75 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 2c41 n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2c41 s ASP 76 N -1.71 6.76 0.42 0.00 -0.00 -1.26 -4.90 116.67 115.98 2c41 s ASP 76 Ca 0.00 2.12 0.20 0.00 -0.00 0.00 0.00 52.55 54.87 2c41 s ASP 76 Cb 0.00 -2.54 1.15 0.00 -0.00 0.00 0.00 42.92 41.52 2c41 s ASP 76 CO 0.00 -0.84 1.81 -0.65 -0.00 0.00 0.00 175.17 175.49 2c41 h PRO 77 N 8.73 0.34 0.00 8.23 0.11 -2.04 0.31 132.00 147.68 2c41 h PRO 77 Ca -0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2c41 h PRO 77 Cb 1.17 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2c41 h PRO 77 CO 0.94 0.23 0.00 0.00 -0.21 0.00 0.00 178.00 178.96 2c41 h ALA 78 N 1.60 1.00 0.00 -0.75 0.00 -2.05 -2.99 119.26 116.06 2c41 h ALA 78 Ca 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.36 2c41 h ALA 78 Cb 1.45 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2c41 h ALA 78 CO -0.22 0.00 -0.57 -0.44 0.00 0.00 0.00 179.25 178.03 2c41 h ASP 79 N 0.00 0.00 -0.23 0.00 3.45 -1.31 -3.39 116.42 114.94 2c41 h ASP 79 Ca 0.00 0.00 0.05 0.00 0.43 0.00 0.00 57.03 57.51 2c41 h ASP 79 Cb 0.19 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 38.91 2c41 h ASP 79 CO 0.00 0.38 -0.05 1.88 -1.57 0.00 0.00 179.24 179.88 2c41 h TYR 80 N 0.00 -0.11 0.00 4.55 0.05 -1.62 -0.91 116.97 118.94 2c41 h TYR 80 Ca -0.03 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2c41 h TYR 80 Cb 1.31 0.08 0.00 0.00 1.01 0.00 0.00 36.73 39.14 2c41 h TYR 80 CO 0.00 -0.09 0.00 1.28 -1.05 0.00 0.00 178.16 178.30 2c41 n LEU 81 N -5.21 0.71 0.12 3.88 7.99 -1.26 -0.88 117.00 122.35 2c41 n LEU 81 Ca -0.02 0.63 0.02 0.00 -0.01 0.00 0.00 56.01 56.63 2c41 n LEU 81 Cb 0.14 -0.47 0.00 0.00 -0.11 0.00 0.00 43.42 42.97 2c41 n LEU 81 CO 0.23 -0.40 0.35 0.11 -1.51 0.00 0.00 177.39 176.17 2c41 h LYS 82 N 0.00 0.00 0.00 3.23 1.57 -1.39 -3.38 116.57 116.60 2c41 h LYS 82 Ca 0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 2c41 h LYS 82 Cb 0.51 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.77 2c41 h LYS 82 CO 0.00 0.51 -2.15 0.28 -0.57 0.00 0.00 179.45 177.51 2c41 n VAL 83 N -3.19 1.16 -1.91 0.50 0.31 -0.67 -5.00 118.33 109.53 2c41 n VAL 83 Ca 0.00 -0.60 -0.40 0.00 -0.01 0.00 0.00 64.34 63.33 2c41 n VAL 83 Cb 0.76 -0.83 0.01 0.00 -0.91 0.00 0.00 33.84 32.86 2c41 n VAL 83 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2c41 s ALA 84 N -2.41 3.28 -0.26 3.52 0.00 -0.06 -4.72 121.76 121.12 2c41 s ALA 84 Ca -0.16 1.37 0.17 0.00 0.00 0.00 0.00 51.96 53.34 2c41 s ALA 84 Cb 0.06 -3.55 -0.24 0.00 0.00 0.00 0.00 23.12 19.39 2c41 s ALA 84 CO 0.60 -1.01 0.48 0.25 0.00 0.00 0.00 175.76 176.07 2c41 n THR 85 N 0.02 0.00 -1.88 0.00 -2.24 -1.26 -4.95 114.28 103.97 2c41 n THR 85 Ca 0.04 -0.30 -0.34 0.00 -2.27 0.00 0.00 64.05 61.18 2c41 n THR 85 Cb 0.42 0.39 0.04 0.00 -2.10 0.00 0.00 70.33 69.08 2c41 n THR 85 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2c41 s VAL 86 N -3.00 3.11 -0.24 2.28 -7.23 -1.26 -4.97 120.40 109.09 2c41 s VAL 86 Ca -0.02 0.57 -0.29 0.00 -1.81 0.00 0.00 61.98 60.43 2c41 s VAL 86 Cb 0.11 -3.12 0.01 0.00 0.56 0.00 0.00 36.38 33.94 2c41 s VAL 86 CO 0.70 -0.26 1.03 -0.89 -0.31 0.00 0.00 175.10 175.37 2c41 s THR 87 N -2.11 4.67 0.22 5.32 2.01 -1.26 -5.01 115.64 119.47 2c41 s THR 87 Ca 0.70 1.98 -0.30 0.00 0.31 0.00 0.00 61.69 64.37 2c41 s THR 87 Cb -0.23 -4.31 -0.09 0.00 0.01 0.00 0.00 72.50 67.88 2c41 s THR 87 CO 0.37 -0.20 1.32 -2.16 -0.69 0.00 0.00 174.62 173.26 2c41 s PRO 88 N 3.23 4.38 0.33 4.92 0.04 -1.26 -4.95 135.00 141.68 2c41 s PRO 88 Ca 0.44 2.09 -0.29 0.00 0.04 0.00 0.00 61.00 63.28 2c41 s PRO 88 Cb -0.15 -3.17 -0.10 0.00 0.04 0.00 0.00 34.50 31.11 2c41 s PRO 88 CO 0.07 -0.26 1.39 0.45 0.04 0.00 0.00 177.00 178.69 2c41 s SER 89 N 0.25 6.61 -0.03 6.66 0.15 -1.26 -5.02 113.70 121.06 2c41 s SER 89 Ca 0.56 2.80 0.01 0.00 0.70 0.00 0.00 55.95 60.02 2c41 s SER 89 Cb -0.37 -2.65 0.02 0.00 -1.71 0.00 0.00 66.02 61.31 2c41 s SER 89 CO 0.40 -0.68 -0.02 -0.55 1.20 0.00 0.00 173.24 173.59 2c41 s SER 90 N -0.20 0.64 0.00 5.45 0.15 -1.26 -5.08 113.70 113.40 2c41 s SER 90 Ca 0.52 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 57.10 2c41 s SER 90 Cb -0.42 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.59 2c41 s SER 90 CO 0.54 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.53 2c41 n GLY 91 N 3.93 -1.28 3.70 9.45 0.00 -1.26 -4.85 105.19 114.89 2c41 n GLY 91 Ca -0.25 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 2c41 n GLY 91 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2c41 s GLN 92 N -1.32 4.41 0.06 1.61 2.00 -1.26 -5.03 119.66 120.13 2c41 s GLN 92 Ca 0.00 1.71 0.07 0.00 -2.00 0.00 0.00 55.36 55.14 2c41 s GLN 92 Cb 0.00 -3.44 -0.03 0.00 0.80 0.00 0.00 33.01 30.34 2c41 s GLN 92 CO 0.00 -0.32 -0.20 -0.51 -0.50 0.00 0.00 175.29 173.77 2c41 s LEU 93 N 1.53 2.21 0.83 3.68 1.43 -1.26 -5.13 118.68 121.96 2c41 s LEU 93 Ca 0.57 -0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 52.99 2c41 s LEU 93 Cb -0.27 -0.88 0.09 0.00 0.03 0.00 0.00 46.19 45.16 2c41 s LEU 93 CO 0.26 0.11 1.11 0.42 0.23 0.00 0.00 176.35 178.48 2c41 s THR 94 N -0.92 2.68 0.18 5.49 -4.23 -1.26 -4.86 115.64 112.71 2c41 s THR 94 Ca 0.06 0.22 -0.12 0.00 -1.18 0.00 0.00 61.69 60.67 2c41 s THR 94 Cb -0.09 -3.00 0.09 0.00 1.34 0.00 0.00 72.50 70.84 2c41 s THR 94 CO 0.02 -0.29 1.77 0.58 -0.54 0.00 0.00 174.62 176.17 2c41 h VAL 95 N -1.19 1.21 -0.69 2.29 2.07 -1.93 -0.85 116.25 117.16 2c41 h VAL 95 Ca -0.48 -0.57 0.09 0.00 0.82 0.00 0.00 66.70 66.57 2c41 h VAL 95 Cb 1.29 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.45 2c41 h VAL 95 CO 0.61 0.24 0.32 0.50 0.02 0.00 0.00 177.57 179.26 2c41 h LYS 96 N 0.83 0.53 -0.70 1.57 3.64 -1.99 -1.47 116.57 118.98 2c41 h LYS 96 Ca 0.21 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 2c41 h LYS 96 Cb 0.09 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 2c41 h LYS 96 CO -0.03 0.35 0.26 1.96 -2.27 0.00 0.00 179.45 179.73 2c41 h GLN 97 N 0.55 1.06 -0.35 1.90 4.20 -1.79 -0.71 115.11 119.97 2c41 h GLN 97 Ca 0.34 -0.20 0.03 0.00 0.06 0.00 0.00 58.65 58.88 2c41 h GLN 97 Cb 0.38 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 2c41 h GLN 97 CO -0.28 0.89 0.15 0.52 -0.67 0.00 0.00 178.83 179.44 2c41 h MET 98 N 1.01 0.31 -0.41 1.46 2.86 -0.59 -0.23 114.93 119.34 2c41 h MET 98 Ca 0.23 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 2c41 h MET 98 Cb 0.24 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 2c41 h MET 98 CO -0.02 0.21 0.13 0.82 1.06 0.00 0.00 176.91 179.11 2c41 h ILE 99 N 0.32 1.22 -0.73 -1.22 2.04 -1.01 -0.09 117.51 118.04 2c41 h ILE 99 Ca 0.15 -0.72 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 2c41 h ILE 99 Cb 0.09 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 2c41 h ILE 99 CO -0.12 0.26 0.29 -0.33 0.00 0.00 0.00 178.15 178.24 2c41 h GLU 100 N 0.53 1.09 -0.35 2.37 5.08 -0.92 -0.56 114.58 121.82 2c41 h GLU 100 Ca 0.13 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 2c41 h GLU 100 Cb 0.26 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2c41 h GLU 100 CO -0.00 0.89 0.03 1.49 -1.00 0.00 0.00 179.01 180.41 2c41 h GLU 101 N 1.07 0.60 -0.26 2.33 4.81 -0.78 -1.39 114.58 120.94 2c41 h GLU 101 Ca 0.25 -0.18 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2c41 h GLU 101 Cb 0.21 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 2c41 h GLU 101 CO -0.02 0.70 0.11 0.00 -0.73 0.00 0.00 179.01 179.06 2c41 h ALA 102 N 0.88 0.31 -0.31 2.92 0.00 -0.72 -1.14 119.26 121.20 2c41 h ALA 102 Ca 0.10 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2c41 h ALA 102 Cb 0.41 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2c41 h ALA 102 CO 0.01 -0.30 0.09 0.82 0.00 0.00 0.00 179.25 179.88 2c41 h ILE 103 N 0.24 0.89 -0.64 0.00 2.04 -0.93 0.89 117.51 120.00 2c41 h ILE 103 Ca 0.11 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.91 2c41 h ILE 103 Cb 0.06 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 2c41 h ILE 103 CO -0.10 0.04 0.41 0.00 0.00 0.00 0.00 178.15 178.50 2c41 h ALA 104 N 1.21 0.81 -0.46 1.87 0.00 -1.00 0.83 119.26 122.52 2c41 h ALA 104 Ca 0.14 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2c41 h ALA 104 Cb 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2c41 h ALA 104 CO -0.16 0.20 -0.08 -0.91 0.00 0.00 0.00 179.25 178.30 2c41 h ASN 105 N 0.83 0.87 -0.85 0.00 -0.26 -0.87 -1.82 115.58 113.48 2c41 h ASN 105 Ca 0.24 -0.35 0.01 0.00 -0.56 0.00 0.00 56.30 55.64 2c41 h ASN 105 Cb -0.06 -0.24 -0.04 0.00 -1.06 0.00 0.00 38.32 36.92 2c41 h ASN 105 CO -0.07 1.02 0.55 0.45 -1.06 0.00 0.00 177.43 178.32 2c41 h HIS 106 N 0.72 1.08 -0.67 1.19 3.86 -0.42 -1.25 115.15 119.65 2c41 h HIS 106 Ca 0.12 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.29 2c41 h HIS 106 Cb 0.62 -0.36 -0.03 0.00 1.06 0.00 0.00 27.41 28.70 2c41 h HIS 106 CO 0.05 0.69 0.19 0.93 0.86 0.00 0.00 177.93 180.64 2c41 h GLU 107 N 1.15 1.05 -0.25 2.45 5.08 -0.64 0.19 114.58 123.61 2c41 h GLU 107 Ca 0.31 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2c41 h GLU 107 Cb -0.12 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 2c41 h GLU 107 CO -0.07 0.91 0.14 1.25 -1.00 0.00 0.00 179.01 180.24 2c41 h LEU 108 N 1.00 0.31 -0.53 1.33 5.85 -1.00 -1.52 115.31 120.75 2c41 h LEU 108 Ca 0.22 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 2c41 h LEU 108 Cb 0.32 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2c41 h LEU 108 CO -0.00 0.30 0.24 0.40 -0.34 0.00 0.00 178.44 179.04 2c41 h ILE 109 N 0.29 1.21 -0.33 4.05 2.04 -0.77 -0.61 117.51 123.38 2c41 h ILE 109 Ca 0.09 -0.60 0.04 0.00 1.00 0.00 0.00 64.86 65.39 2c41 h ILE 109 Cb 0.05 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 2c41 h ILE 109 CO -0.01 0.24 0.10 0.40 0.00 0.00 0.00 178.15 178.88 2c41 h ILE 110 N 0.72 0.89 -0.13 -0.67 2.04 -0.52 0.30 117.51 120.15 2c41 h ILE 110 Ca 0.18 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.96 2c41 h ILE 110 Cb 0.14 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2c41 h ILE 110 CO -0.02 0.04 0.07 0.74 0.00 0.00 0.00 178.15 178.99 2c41 h THR 111 N 0.24 1.02 -0.72 -0.27 2.02 -1.04 -2.20 112.91 111.96 2c41 h THR 111 Ca 0.15 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 67.23 2c41 h THR 111 Cb 0.13 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 2c41 h THR 111 CO -0.16 0.03 0.27 -0.33 0.37 0.00 0.00 175.52 175.70 2c41 h GLU 112 N 0.16 1.07 -0.33 6.66 5.08 -0.67 -1.80 114.58 124.74 2c41 h GLU 112 Ca 0.05 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.14 2c41 h GLU 112 Cb -0.01 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 2c41 h GLU 112 CO -0.02 0.88 -0.12 0.52 -1.00 0.00 0.00 179.01 179.26 2c41 h MET 113 N 1.04 0.57 -0.32 2.33 2.86 -0.21 0.41 114.93 121.61 2c41 h MET 113 Ca 0.24 -0.17 -0.06 0.00 -2.06 0.00 0.00 59.70 57.65 2c41 h MET 113 Cb 0.22 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2c41 h MET 113 CO -0.02 0.68 -0.02 0.45 1.06 0.00 0.00 176.91 179.07 2c41 h HIS 114 N 0.52 0.63 -0.41 -0.22 3.86 -1.14 0.48 115.15 118.87 2c41 h HIS 114 Ca 0.09 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2c41 h HIS 114 Cb 0.52 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 2c41 h HIS 114 CO 0.02 0.72 0.26 1.96 0.86 0.00 0.00 177.93 181.74 2c41 h GLN 115 N 0.37 0.55 -0.08 2.45 4.20 -0.98 -2.52 115.11 119.11 2c41 h GLN 115 Ca 0.09 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.61 2c41 h GLN 115 Cb 0.48 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2c41 h GLN 115 CO 0.02 0.40 -0.59 -0.44 -0.67 0.00 0.00 178.83 177.55 2c41 h ASP 116 N 0.55 0.28 -0.79 1.46 3.45 -0.11 -1.80 116.42 119.46 2c41 h ASP 116 Ca 0.15 -0.16 -0.04 0.00 0.43 0.00 0.00 57.03 57.41 2c41 h ASP 116 Cb -0.02 -0.08 -0.04 0.00 -0.56 0.00 0.00 39.33 38.63 2c41 h ASP 116 CO -0.03 0.81 0.33 0.00 -1.57 0.00 0.00 179.24 178.78 2c41 h ALA 117 N 1.20 1.08 -0.59 3.45 0.00 -0.84 -1.21 119.26 122.35 2c41 h ALA 117 Ca -0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 2c41 h ALA 117 Cb 1.08 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2c41 h ALA 117 CO 0.09 0.66 0.09 1.49 0.00 0.00 0.00 179.25 181.59 2c41 h GLU 118 N 1.15 0.97 -0.38 0.00 4.57 -1.02 -0.50 114.58 119.37 2c41 h GLU 118 Ca 0.27 -0.26 0.01 0.00 -1.18 0.00 0.00 59.36 58.20 2c41 h GLU 118 Cb 0.20 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 2c41 h GLU 118 CO -0.02 0.92 0.24 0.82 -1.18 0.00 0.00 179.01 179.78 2c41 h ILE 119 N 0.87 1.06 -0.53 2.32 2.04 -1.16 -0.19 117.51 121.92 2c41 h ILE 119 Ca 0.18 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.89 2c41 h ILE 119 Cb 0.42 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 2c41 h ILE 119 CO 0.01 0.09 0.33 0.00 0.00 0.00 0.00 178.15 178.58 2c41 h ALA 120 N 1.16 0.68 -0.61 1.87 0.00 -1.03 -1.95 119.26 119.38 2c41 h ALA 120 Ca 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2c41 h ALA 120 Cb -0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2c41 h ALA 120 CO -0.06 0.06 0.35 1.15 0.00 0.00 0.00 179.25 180.75 2c41 h THR 121 N 0.66 1.19 -0.76 0.00 2.02 -0.78 0.14 112.91 115.37 2c41 h THR 121 Ca 0.21 -0.45 0.03 0.00 0.77 0.00 0.00 66.41 66.97 2c41 h THR 121 Cb -0.01 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 66.73 2c41 h THR 121 CO -0.08 0.20 0.50 -0.33 0.37 0.00 0.00 175.52 176.18 2c41 h GLU 122 N 0.83 0.92 0.00 6.66 5.08 -0.83 -1.42 114.58 125.82 2c41 h GLU 122 Ca 0.22 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2c41 h GLU 122 Cb 0.01 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.05 2c41 h GLU 122 CO -0.04 0.61 0.00 0.00 -1.00 0.00 0.00 179.01 178.58 2c41 n ALA 123 N -2.42 2.38 -1.05 3.43 0.00 -0.75 -4.88 120.51 117.22 2c41 n ALA 123 Ca 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 53.44 53.39 2c41 n ALA 123 Cb 0.11 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.10 2c41 n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c41 n GLY 124 N 1.03 0.50 3.43 0.00 0.00 -0.54 -4.95 105.19 104.67 2c41 n GLY 124 Ca 0.14 -0.26 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 2c41 n GLY 124 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2c41 n ASP 125 N 0.21 5.14 0.04 1.61 -0.08 0.41 -4.81 116.55 119.05 2c41 n ASP 125 Ca -0.02 -2.97 0.00 0.00 -1.51 0.00 0.00 54.79 50.29 2c41 n ASP 125 Cb 0.14 -1.60 0.31 0.00 2.34 0.00 0.00 41.12 42.31 2c41 n ASP 125 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 2c41 h ILE 126 N 4.75 1.20 -0.12 5.18 3.07 -1.92 -1.81 117.51 127.86 2c41 h ILE 126 Ca 0.35 -0.85 -0.01 0.00 1.55 0.00 0.00 64.86 65.91 2c41 h ILE 126 Cb 0.85 1.08 -0.01 0.00 -0.27 0.00 0.00 36.82 38.47 2c41 h ILE 126 CO 1.33 0.28 0.05 1.23 -1.05 0.00 0.00 178.15 179.98 2c41 h GLY 127 N 0.83 0.19 1.06 0.16 0.00 -1.96 -0.60 103.07 102.76 2c41 h GLY 127 Ca 0.08 -0.11 -0.10 0.00 0.00 0.00 0.00 47.33 47.20 2c41 h GLY 127 CO 0.02 0.10 -0.08 -0.84 0.00 0.00 0.00 176.54 175.74 2c41 h THR 128 N 0.03 1.27 -0.99 4.70 2.02 -1.90 -0.51 112.91 117.54 2c41 h THR 128 Ca 0.04 -1.22 0.04 0.00 0.77 0.00 0.00 66.41 66.04 2c41 h THR 128 Cb 0.18 1.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.52 2c41 h THR 128 CO -0.00 0.43 0.64 0.00 0.37 0.00 0.00 175.52 176.96 2c41 h ALA 129 N 0.92 1.32 -0.48 6.16 0.00 -1.28 -1.92 119.26 123.99 2c41 h ALA 129 Ca 0.14 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2c41 h ALA 129 Cb 0.64 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2c41 h ALA 129 CO 0.04 0.51 0.01 0.22 0.00 0.00 0.00 179.25 180.03 2c41 h ASP 130 N 1.22 0.83 -0.06 0.00 3.58 -0.62 -1.21 116.42 120.16 2c41 h ASP 130 Ca 0.40 -0.30 0.03 0.00 0.42 0.00 0.00 57.03 57.58 2c41 h ASP 130 Cb 0.04 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.84 2c41 h ASP 130 CO -0.14 0.93 -0.12 0.25 -2.88 0.00 0.00 179.24 177.28 2c41 h LEU 131 N 0.71 -0.37 -1.05 2.28 5.85 -0.61 0.39 115.31 122.50 2c41 h LEU 131 Ca 0.14 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 2c41 h LEU 131 Cb 0.50 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 2c41 h LEU 131 CO 0.02 -0.17 0.55 1.88 -0.34 0.00 0.00 178.44 180.38 2c41 h TYR 132 N -0.18 1.15 -0.67 1.25 0.99 -1.28 -0.77 116.97 117.46 2c41 h TYR 132 Ca 0.06 0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.73 2c41 h TYR 132 Cb 0.27 -0.38 -0.03 0.00 1.00 0.00 0.00 36.73 37.59 2c41 h TYR 132 CO -0.21 0.76 0.14 1.15 -0.00 0.00 0.00 178.16 179.99 2c41 h THR 133 N 1.22 1.26 0.01 -2.88 2.02 -0.57 -0.70 112.91 113.27 2c41 h THR 133 Ca 0.32 -0.98 -0.00 0.00 0.77 0.00 0.00 66.41 66.51 2c41 h THR 133 Cb -0.07 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2c41 h THR 133 CO -0.06 0.37 -0.01 -0.09 0.37 0.00 0.00 175.52 176.10 2c41 h ARG 134 N 1.02 -0.02 -0.41 6.66 2.43 -0.70 -3.33 114.38 120.03 2c41 h ARG 134 Ca 0.21 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 2c41 h ARG 134 Cb 0.39 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 2c41 h ARG 134 CO 0.01 0.53 0.03 -0.07 -1.51 0.00 0.00 179.97 178.95 2c41 h LEU 135 N -0.57 0.60 -1.75 3.80 3.38 -1.07 -2.67 115.31 117.02 2c41 h LEU 135 Ca -0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2c41 h LEU 135 Cb 0.55 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2c41 h LEU 135 CO 0.00 0.65 -0.08 1.62 0.09 0.00 0.00 178.44 180.73 2c41 h VAL 136 N 0.61 1.08 -0.31 1.22 3.04 -1.24 -1.53 116.25 119.13 2c41 h VAL 136 Ca 0.13 -0.36 -0.08 0.00 -1.01 0.00 0.00 66.70 65.38 2c41 h VAL 136 Cb 0.35 1.14 -0.02 0.00 -2.01 0.00 0.00 31.29 30.75 2c41 h VAL 136 CO 0.01 0.11 -0.14 1.56 -1.01 0.00 0.00 177.57 178.10 2c41 h GLN 137 N 0.06 0.53 -0.36 4.17 4.20 -1.58 -0.31 115.11 121.81 2c41 h GLN 137 Ca 0.01 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.50 2c41 h GLN 137 Cb 0.17 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2c41 h GLN 137 CO 0.01 0.66 0.00 1.15 -0.67 0.00 0.00 178.83 179.99 2c41 h THR 138 N 0.49 1.26 -0.98 -0.54 2.02 -1.36 -1.20 112.91 112.60 2c41 h THR 138 Ca 0.09 -0.98 0.06 0.00 0.77 0.00 0.00 66.41 66.35 2c41 h THR 138 Cb 0.53 1.18 -0.06 0.00 -1.74 0.00 0.00 68.15 68.06 2c41 h THR 138 CO 0.03 0.33 0.64 0.45 0.37 0.00 0.00 175.52 177.33 2c41 h HIS 139 N 0.45 1.17 -0.31 3.16 3.86 -1.12 -0.93 115.15 121.43 2c41 h HIS 139 Ca 0.10 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.24 2c41 h HIS 139 Cb 0.46 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 2c41 h HIS 139 CO 0.04 0.62 -0.24 1.96 0.86 0.00 0.00 177.93 181.17 2c41 h GLN 140 N 1.16 0.61 -0.08 2.45 4.20 -0.83 -0.13 115.11 122.49 2c41 h GLN 140 Ca 0.42 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 2c41 h GLN 140 Cb 0.15 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 2c41 h GLN 140 CO -0.16 0.80 0.03 -0.22 -0.67 0.00 0.00 178.83 178.61 2c41 h LYS 141 N 0.54 0.13 -0.52 1.46 3.64 -0.69 -2.00 116.57 119.13 2c41 h LYS 141 Ca 0.08 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 2c41 h LYS 141 Cb 0.69 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.44 2c41 h LYS 141 CO 0.05 0.29 0.24 0.45 -2.27 0.00 0.00 179.45 178.22 2c41 h HIS 142 N -0.05 0.43 -0.52 1.91 3.86 -0.94 -1.18 115.15 118.65 2c41 h HIS 142 Ca 0.03 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.28 2c41 h HIS 142 Cb 0.22 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.54 2c41 h HIS 142 CO -0.00 0.19 0.33 -0.09 0.86 0.00 0.00 177.93 179.22 2c41 h ARG 143 N 0.46 0.65 0.22 2.45 2.43 -0.96 -1.55 114.38 118.07 2c41 h ARG 143 Ca 0.24 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 2c41 h ARG 143 Cb 0.19 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2c41 h ARG 143 CO -0.20 0.43 -0.11 2.35 -1.51 0.00 0.00 179.97 180.94 2c41 h TRP 144 N 0.67 -0.27 -0.38 2.20 7.01 -0.86 -0.84 115.95 123.47 2c41 h TRP 144 Ca 0.20 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.27 2c41 h TRP 144 Cb -0.03 0.09 -0.08 0.00 -2.10 0.00 0.00 29.16 27.05 2c41 h TRP 144 CO -0.05 -0.17 -0.12 0.74 -2.79 0.00 0.00 178.44 176.05 2c41 h PHE 145 N -0.29 -0.28 -0.46 2.65 -1.00 -1.02 -1.79 116.94 114.74 2c41 h PHE 145 Ca -0.03 0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.77 2c41 h PHE 145 Cb 0.23 0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.95 2c41 h PHE 145 CO -0.06 -0.20 0.22 -0.07 -1.61 0.00 0.00 178.31 176.58 2c41 h LEU 146 N -0.04 0.61 -1.25 1.54 3.38 -1.18 -2.66 115.31 115.71 2c41 h LEU 146 Ca 0.18 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2c41 h LEU 146 Cb 0.32 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2c41 h LEU 146 CO -0.41 0.57 0.46 0.11 0.09 0.00 0.00 178.44 179.25 2c41 h LYS 147 N 0.60 0.96 -0.77 1.13 1.57 -0.82 -2.19 116.57 117.04 2c41 h LYS 147 Ca 0.16 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2c41 h LYS 147 Cb 0.13 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 2c41 h LYS 147 CO -0.02 0.65 0.51 0.93 -0.57 0.00 0.00 179.45 180.95 2c41 h GLU 148 N 0.98 0.96 0.00 3.15 4.39 -0.97 -1.71 114.58 121.39 2c41 h GLU 148 Ca 0.26 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 2c41 h GLU 148 Cb -0.08 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.35 2c41 h GLU 148 CO -0.05 0.63 -0.02 0.74 -1.16 0.00 0.00 179.01 179.15 2c41 h PHE 149 N 0.99 0.00 -0.00 4.33 -1.00 -1.32 -2.05 116.94 117.89 2c41 h PHE 149 Ca 0.30 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.08 2c41 h PHE 149 Cb -0.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.54 2c41 h PHE 149 CO -0.00 0.02 -0.48 1.28 -1.61 0.00 0.00 178.31 177.52 2c41 n LEU 150 N -3.34 0.86 -4.78 1.54 4.77 -0.65 -4.92 117.00 110.48 2c41 n LEU 150 Ca -0.02 -0.21 -0.35 0.00 -0.03 0.00 0.00 56.01 55.40 2c41 n LEU 150 Cb 0.14 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 2c41 n LEU 150 CO 0.25 0.18 0.77 0.00 -1.33 0.00 0.00 177.39 177.26 2c41 s ALA 151 N -2.79 2.74 0.44 -1.18 0.00 -0.77 -5.06 121.76 115.14 2c41 s ALA 151 Ca 0.16 0.78 0.05 0.00 0.00 0.00 0.00 51.96 52.94 2c41 s ALA 151 Cb 0.18 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.91 2c41 s ALA 151 CO 0.65 -0.66 0.01 0.15 0.00 0.00 0.00 175.76 175.91 2c41 s LYS 152 N -3.26 2.03 -0.27 0.00 1.02 -1.26 -4.84 119.74 113.16 2c41 s LYS 152 Ca 0.71 -2.21 -0.00 0.00 0.02 0.00 0.00 55.97 54.49 2c41 s LYS 152 Cb -0.22 -1.57 0.00 0.00 -0.52 0.00 0.00 37.83 35.52 2c41 s LYS 152 CO 0.25 -0.17 0.01 0.41 -0.92 0.00 0.00 175.35 174.94 2c41 n GLY 153 N -1.06 0.26 0.26 -3.33 0.00 -1.23 -4.95 105.19 95.15 2c41 n GLY 153 Ca -0.10 -0.74 0.16 0.00 0.00 0.00 0.00 46.02 45.34 2c41 n GLY 153 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2c41 h ASP 154 N -0.02 0.00 0.00 1.61 3.04 -1.83 -3.47 116.42 115.75 2c41 h ASP 154 Ca -0.08 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.71 2c41 h ASP 154 Cb 1.06 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.35 2c41 h ASP 154 CO 0.09 0.03 0.00 0.61 -2.04 0.00 0.00 179.24 177.93 2c41 n GLY 155 N 0.17 1.08 0.60 7.15 0.00 -0.82 -4.86 105.19 108.51 2c41 n GLY 155 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 2c41 n GLY 155 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2c41 n LEU 156 N 0.00 0.91 0.00 0.99 4.77 -1.26 -4.89 117.00 117.52 2c41 n LEU 156 Ca 0.00 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2c41 n LEU 156 Cb 0.00 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2c41 n LEU 156 CO 0.00 0.26 0.07 1.33 -1.33 0.00 0.00 177.39 177.72 2c41 n VAL 157 N -3.58 0.00 -1.45 4.08 0.24 -1.26 -5.22 118.33 111.14 2c41 n VAL 157 Ca -0.25 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 2c41 n VAL 157 Cb 0.68 1.53 0.00 0.00 -1.47 0.00 0.00 33.84 34.58 2c41 n VAL 157 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15