#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 3.88 0.86 4.28 -4.23 -1.26 -5.11 115.64 114.05 2c41 s THR 5 Ca 0.00 -0.94 -0.10 0.00 -1.18 0.00 0.00 61.69 59.47 2c41 s THR 5 Cb 0.00 -2.80 0.11 0.00 1.34 0.00 0.00 72.50 71.15 2c41 s THR 5 CO 0.00 0.20 1.11 0.42 -0.54 0.00 0.00 174.62 175.82 2c41 s THR 6 N -1.21 2.69 0.13 3.99 -4.23 -1.26 -4.88 115.64 110.86 2c41 s THR 6 Ca 0.23 0.22 0.19 0.00 -1.18 0.00 0.00 61.69 61.15 2c41 s THR 6 Cb -0.11 -2.49 0.14 0.00 1.34 0.00 0.00 72.50 71.38 2c41 s THR 6 CO 0.15 -0.29 1.72 0.17 -0.54 0.00 0.00 174.62 175.82 2c41 h LEU 7 N -1.53 0.00 -0.35 4.79 8.10 -1.99 -1.99 115.31 122.33 2c41 h LEU 7 Ca -0.44 0.00 0.08 0.00 0.11 0.00 0.00 57.88 57.62 2c41 h LEU 7 Cb 1.25 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 41.40 2c41 h LEU 7 CO 0.47 0.36 -0.19 0.50 -4.11 0.00 0.00 178.44 175.48 2c41 h LYS 8 N 0.00 -0.13 -0.63 0.17 1.63 -1.95 -2.67 116.57 113.00 2c41 h LYS 8 Ca -0.00 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 2c41 h LYS 8 Cb 0.92 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.55 2c41 h LYS 8 CO 0.05 -0.08 0.33 0.93 -3.45 0.00 0.00 179.45 177.23 2c41 h GLU 9 N -0.13 0.89 -0.31 1.90 5.08 -1.72 0.32 114.58 120.60 2c41 h GLU 9 Ca 0.18 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2c41 h GLU 9 Cb 0.40 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2c41 h GLU 9 CO -0.43 0.68 0.13 1.96 -1.00 0.00 0.00 179.01 180.35 2c41 h GLN 10 N 0.86 0.46 -0.42 2.33 4.20 -1.43 0.75 115.11 121.86 2c41 h GLN 10 Ca 0.22 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 2c41 h GLN 10 Cb 0.07 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 2c41 h GLN 10 CO -0.03 0.46 0.20 0.28 -0.67 0.00 0.00 178.83 179.07 2c41 h VAL 11 N 0.35 1.18 -0.76 -0.54 2.07 -1.38 -2.11 116.25 115.06 2c41 h VAL 11 Ca 0.10 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 2c41 h VAL 11 Cb 0.17 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 2c41 h VAL 11 CO -0.01 0.19 0.44 -0.07 0.02 0.00 0.00 177.57 178.14 2c41 h LEU 12 N 0.54 0.93 -0.74 2.57 3.38 -0.69 -1.35 115.31 119.95 2c41 h LEU 12 Ca 0.15 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2c41 h LEU 12 Cb 0.12 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 2c41 h LEU 12 CO -0.02 0.73 0.46 0.74 0.09 0.00 0.00 178.44 180.44 2c41 h THR 13 N 1.06 1.09 -0.64 0.22 2.02 -0.49 -2.03 112.91 114.14 2c41 h THR 13 Ca 0.27 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 2c41 h THR 13 Cb -0.01 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.48 2c41 h THR 13 CO -0.05 0.16 0.25 0.71 0.37 0.00 0.00 175.52 176.97 2c41 h THR 14 N 0.90 1.24 -0.69 3.16 1.35 -0.62 -2.51 112.91 115.73 2c41 h THR 14 Ca 0.30 -0.75 -0.07 0.00 -0.55 0.00 0.00 66.41 65.34 2c41 h THR 14 Cb 0.04 0.53 -0.03 0.00 -1.73 0.00 0.00 68.15 66.96 2c41 h THR 14 CO -0.12 0.29 0.16 -0.07 -0.25 0.00 0.00 175.52 175.53 2c41 h LEU 15 N 0.90 1.06 -0.31 3.87 3.38 -0.92 0.60 115.31 123.88 2c41 h LEU 15 Ca 0.21 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2c41 h LEU 15 Cb 0.21 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2c41 h LEU 15 CO -0.02 1.02 0.19 0.11 0.09 0.00 0.00 178.44 179.84 2c41 h LYS 16 N 1.06 0.42 -0.35 1.13 1.57 -1.24 0.18 116.57 119.33 2c41 h LYS 16 Ca 0.22 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 2c41 h LYS 16 Cb 0.39 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2c41 h LYS 16 CO 0.00 0.32 0.13 -0.09 -0.57 0.00 0.00 179.45 179.24 2c41 h ARG 17 N 0.40 0.54 -0.55 3.15 2.43 -1.15 -0.73 114.38 118.47 2c41 h ARG 17 Ca 0.11 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2c41 h ARG 17 Cb 0.01 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 2c41 h ARG 17 CO -0.02 0.54 0.13 0.93 -1.51 0.00 0.00 179.97 180.04 2c41 h GLU 18 N 0.42 0.88 -0.23 0.20 4.39 -0.76 -0.18 114.58 119.30 2c41 h GLU 18 Ca 0.12 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 2c41 h GLU 18 Cb 0.21 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 2c41 h GLU 18 CO -0.01 0.83 0.11 0.37 -1.16 0.00 0.00 179.01 179.16 2c41 h GLN 19 N 0.78 0.34 -0.90 2.33 4.15 -0.53 -0.63 115.11 120.64 2c41 h GLN 19 Ca 0.17 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 2c41 h GLN 19 Cb 0.35 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.93 2c41 h GLN 19 CO 0.00 0.34 0.53 0.00 -1.93 0.00 0.00 178.83 177.77 2c41 h ALA 20 N 0.97 1.15 -0.91 3.38 0.00 -0.99 -1.96 119.26 120.91 2c41 h ALA 20 Ca 0.08 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2c41 h ALA 20 Cb 0.12 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 2c41 h ALA 20 CO -0.01 0.63 0.60 -0.91 0.00 0.00 0.00 179.25 179.56 2c41 h ASN 21 N 1.25 1.02 -0.63 0.00 -0.26 -0.76 -1.31 115.58 114.90 2c41 h ASN 21 Ca 0.32 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 56.04 2c41 h ASN 21 Cb -0.02 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 36.96 2c41 h ASN 21 CO -0.06 0.73 0.37 0.00 -1.06 0.00 0.00 177.43 177.41 2c41 h ALA 22 N 1.35 0.81 0.06 -0.83 0.00 -0.47 0.15 119.26 120.33 2c41 h ALA 22 Ca 0.34 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2c41 h ALA 22 Cb -0.09 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.45 2c41 h ALA 22 CO -0.09 0.30 -0.03 0.28 0.00 0.00 0.00 179.25 179.71 2c41 h VAL 23 N 0.86 1.06 -0.55 0.00 2.07 -0.99 0.17 116.25 118.86 2c41 h VAL 23 Ca 0.23 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 2c41 h VAL 23 Cb 0.00 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2c41 h VAL 23 CO -0.04 0.10 0.24 0.58 0.02 0.00 0.00 177.57 178.47 2c41 h VAL 24 N -0.26 1.21 -0.80 2.57 2.07 -1.16 -1.16 116.25 118.73 2c41 h VAL 24 Ca -0.01 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 2c41 h VAL 24 Cb 0.23 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 2c41 h VAL 24 CO 0.01 0.25 0.42 -0.03 0.02 0.00 0.00 177.57 178.24 2c41 h MET 25 N 0.75 1.13 -0.05 1.57 -1.53 -0.61 0.79 114.93 116.98 2c41 h MET 25 Ca 0.19 -0.15 -0.00 0.00 -3.44 0.00 0.00 59.70 56.30 2c41 h MET 25 Cb 0.17 -0.22 -0.00 0.00 -0.55 0.00 0.00 31.60 31.00 2c41 h MET 25 CO -0.02 0.85 0.03 -0.92 0.14 0.00 0.00 176.91 176.99 2c41 h TYR 26 N 1.12 0.06 -0.53 1.39 3.20 -0.68 -1.19 116.97 120.35 2c41 h TYR 26 Ca 0.28 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.10 2c41 h TYR 26 Cb 0.06 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 2c41 h TYR 26 CO 0.01 0.08 0.12 -0.07 -1.64 0.00 0.00 178.16 176.66 2c41 h LEU 27 N 0.03 0.75 -0.31 2.82 3.38 -0.85 -0.91 115.31 120.22 2c41 h LEU 27 Ca 0.02 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.90 2c41 h LEU 27 Cb 0.04 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 2c41 h LEU 27 CO -0.00 0.74 0.05 0.78 0.09 0.00 0.00 178.44 180.10 2c41 h ASN 28 N 0.78 -0.00 -0.76 -0.43 -0.26 -0.71 -1.62 115.58 112.58 2c41 h ASN 28 Ca 0.17 0.05 0.01 0.00 -0.56 0.00 0.00 56.30 55.97 2c41 h ASN 28 Cb 0.30 0.07 -0.04 0.00 -1.06 0.00 0.00 38.32 37.59 2c41 h ASN 28 CO -0.00 0.03 0.50 1.88 -1.06 0.00 0.00 177.43 178.78 2c41 h TYR 29 N 0.16 0.95 -0.57 1.19 0.05 -0.27 -1.44 116.97 117.03 2c41 h TYR 29 Ca 0.15 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.92 2c41 h TYR 29 Cb 0.16 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.55 2c41 h TYR 29 CO -0.18 0.60 0.25 0.87 -1.05 0.00 0.00 178.16 178.65 2c41 h LYS 30 N 1.02 0.84 -0.32 4.88 1.79 -0.85 0.10 116.57 124.04 2c41 h LYS 30 Ca 0.28 -0.14 0.07 0.00 -2.18 0.00 0.00 60.65 58.68 2c41 h LYS 30 Cb -0.11 -0.14 -0.07 0.00 -1.58 0.00 0.00 32.23 30.33 2c41 h LYS 30 CO -0.06 0.70 -0.11 -0.22 -1.08 0.00 0.00 179.45 178.68 2c41 h LYS 31 N 0.78 -0.04 -0.31 3.15 3.64 -0.53 0.18 116.57 123.44 2c41 h LYS 31 Ca 0.19 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 2c41 h LYS 31 Cb 0.16 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2c41 h LYS 31 CO -0.02 -0.03 0.13 1.88 -2.27 0.00 0.00 179.45 179.15 2c41 h TYR 32 N -0.04 0.46 -0.54 1.91 0.05 -0.95 0.78 116.97 118.64 2c41 h TYR 32 Ca 0.16 -0.03 0.11 0.00 0.05 0.00 0.00 58.73 59.02 2c41 h TYR 32 Cb 0.28 -0.14 -0.10 0.00 1.01 0.00 0.00 36.73 37.78 2c41 h TYR 32 CO -0.32 0.44 -0.12 1.25 -1.05 0.00 0.00 178.16 178.36 2c41 h HIS 33 N 0.36 -0.26 0.00 4.88 2.76 -0.52 -0.68 115.15 121.70 2c41 h HIS 33 Ca 0.10 0.05 -0.24 0.00 -2.20 0.00 0.00 60.37 58.08 2c41 h HIS 33 Cb 0.16 0.20 0.01 0.00 1.55 0.00 0.00 27.41 29.33 2c41 h HIS 33 CO -0.01 -0.22 -0.99 -1.49 -1.30 0.00 0.00 177.93 173.92 2c41 h TRP 34 N 0.01 0.78 -0.02 5.26 6.55 -0.58 -3.36 115.95 124.59 2c41 h TRP 34 Ca 0.26 -0.43 0.00 0.00 0.95 0.00 0.00 58.89 59.68 2c41 h TRP 34 Cb 0.41 -0.09 0.00 0.00 -0.86 0.00 0.00 29.16 28.62 2c41 h TRP 34 CO -0.44 1.25 -0.13 1.28 -1.05 0.00 0.00 178.44 179.36 2c41 n LEU 35 N -3.78 2.43 -4.74 -4.49 4.77 0.23 -4.96 117.00 106.46 2c41 n LEU 35 Ca -0.08 -0.93 -0.34 0.00 -0.03 0.00 0.00 56.01 54.63 2c41 n LEU 35 Cb 0.86 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 42.03 2c41 n LEU 35 CO 0.53 0.43 0.77 0.28 -1.33 0.00 0.00 177.39 178.07 2c41 s THR 36 N -1.85 2.65 0.27 -5.08 -1.32 -0.28 -4.97 115.64 105.06 2c41 s THR 36 Ca 0.21 0.31 -0.21 0.00 -1.21 0.00 0.00 61.69 60.79 2c41 s THR 36 Cb 0.17 -2.84 0.02 0.00 -1.51 0.00 0.00 72.50 68.33 2c41 s THR 36 CO 0.33 -0.18 0.70 -0.72 -2.21 0.00 0.00 174.62 172.54 2c41 s TYR 37 N -2.13 -0.20 0.00 9.09 -0.85 -1.26 -5.00 117.35 117.00 2c41 s TYR 37 Ca 0.71 -0.24 0.00 0.00 -0.52 0.00 0.00 57.07 57.02 2c41 s TYR 37 Cb -0.26 0.68 0.00 0.00 0.38 0.00 0.00 41.96 42.77 2c41 s TYR 37 CO 0.44 -1.20 0.00 0.41 -1.52 0.00 0.00 175.55 173.68 2c41 n GLY 38 N -0.45 -4.02 0.00 5.49 0.00 -1.26 -4.56 105.19 100.39 2c41 n GLY 38 Ca -0.05 -2.04 0.02 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.13 0.00 -0.53 1.61 -0.02 -1.26 -1.33 135.00 133.34 2c41 n PRO 39 Ca 0.00 0.42 0.09 0.00 -2.02 0.00 0.00 63.50 61.99 2c41 n PRO 39 Cb 0.00 -1.50 0.33 0.00 -0.02 0.00 0.00 33.50 32.31 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 -1.50 4.30 0.09 2.45 4.77 -1.26 -4.77 117.00 121.08 2c41 n LEU 40 Ca 0.01 -2.17 -0.14 0.00 -0.03 0.00 0.00 56.01 53.69 2c41 n LEU 40 Cb 0.05 -0.54 -0.07 0.00 -2.33 0.00 0.00 43.42 40.54 2c41 n LEU 40 CO 0.04 0.79 0.60 0.15 -1.33 0.00 0.00 177.39 177.64 2c41 h PHE 41 N 3.85 -1.13 -0.20 -1.77 3.57 -1.45 -0.95 116.94 118.86 2c41 h PHE 41 Ca 0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 2c41 h PHE 41 Cb 1.28 0.49 -0.02 0.00 2.79 0.00 0.00 35.95 40.49 2c41 h PHE 41 CO 0.67 -0.49 0.11 -0.09 -2.23 0.00 0.00 178.31 176.27 2c41 h ARG 42 N -0.60 0.22 -0.28 1.11 2.43 -1.86 0.30 114.38 115.69 2c41 h ARG 42 Ca 0.03 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 2c41 h ARG 42 Cb 0.65 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 2c41 h ARG 42 CO -0.27 0.14 0.02 0.22 -1.51 0.00 0.00 179.97 178.58 2c41 h ASP 43 N 0.22 -0.06 -0.16 -3.80 3.58 -1.85 -1.07 116.42 113.28 2c41 h ASP 43 Ca 0.08 0.06 -0.22 0.00 0.42 0.00 0.00 57.03 57.37 2c41 h ASP 43 Cb 0.01 0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.17 2c41 h ASP 43 CO -0.05 0.00 -0.77 -0.07 -2.88 0.00 0.00 179.24 175.47 2c41 h LEU 44 N 0.11 0.95 -0.66 2.28 3.38 -0.94 -0.45 115.31 119.98 2c41 h LEU 44 Ca 0.13 -0.63 0.13 0.00 0.09 0.00 0.00 57.88 57.60 2c41 h LEU 44 Cb 0.16 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 40.54 2c41 h LEU 44 CO -0.21 1.42 0.18 -0.74 0.09 0.00 0.00 178.44 179.19 2c41 h HIS 45 N 0.54 0.30 -0.14 1.13 2.76 -0.26 0.12 115.15 119.60 2c41 h HIS 45 Ca -0.05 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.11 2c41 h HIS 45 Cb 1.41 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 30.33 2c41 h HIS 45 CO 0.09 -0.01 -0.06 -0.07 -1.30 0.00 0.00 177.93 176.58 2c41 h LEU 46 N 0.32 0.31 -0.40 0.26 3.38 -1.08 -2.55 115.31 115.54 2c41 h LEU 46 Ca 0.35 -0.40 0.08 0.00 0.09 0.00 0.00 57.88 58.00 2c41 h LEU 46 Cb 0.53 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.12 2c41 h LEU 46 CO -0.41 0.64 -0.15 0.25 0.09 0.00 0.00 178.44 178.86 2c41 h LEU 47 N -0.03 -0.53 -0.90 1.67 5.85 -0.55 0.14 115.31 120.96 2c41 h LEU 47 Ca 0.03 0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 2c41 h LEU 47 Cb 0.52 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 2c41 h LEU 47 CO 0.02 -0.19 0.03 -0.26 -0.34 0.00 0.00 178.44 177.70 2c41 h PHE 48 N -0.07 0.89 -0.39 1.25 0.05 -1.00 -0.78 116.94 116.90 2c41 h PHE 48 Ca 0.20 -0.12 -0.08 0.00 3.82 0.00 0.00 57.97 61.79 2c41 h PHE 48 Cb 0.37 -0.25 -0.01 0.00 2.00 0.00 0.00 35.95 38.06 2c41 h PHE 48 CO -0.40 0.80 -0.06 1.49 -0.18 0.00 0.00 178.31 179.97 2c41 h GLU 49 N 0.79 0.72 0.14 1.51 4.57 -0.95 -0.26 114.58 121.09 2c41 h GLU 49 Ca 0.16 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 2c41 h GLU 49 Cb 0.44 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 2c41 h GLU 49 CO 0.02 0.85 -0.07 0.93 -1.18 0.00 0.00 179.01 179.56 2c41 h GLU 50 N 0.53 -0.18 -0.51 1.92 5.08 -0.41 0.13 114.58 121.14 2c41 h GLU 50 Ca 0.10 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 2c41 h GLU 50 Cb 0.56 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2c41 h GLU 50 CO 0.03 0.05 -0.13 1.96 -1.00 0.00 0.00 179.01 179.93 2c41 h GLN 51 N -0.39 0.99 -0.77 2.33 4.20 -1.23 -2.39 115.11 117.85 2c41 h GLN 51 Ca -0.02 -0.38 0.10 0.00 0.06 0.00 0.00 58.65 58.41 2c41 h GLN 51 Cb 0.31 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 27.97 2c41 h GLN 51 CO 0.03 1.06 0.41 0.78 -0.67 0.00 0.00 178.83 180.44 2c41 h GLY 52 N 0.85 1.18 1.45 3.46 0.00 -0.96 -1.32 103.07 107.72 2c41 h GLY 52 Ca 0.13 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 47.12 2c41 h GLY 52 CO 0.05 0.09 -0.04 1.76 0.00 0.00 0.00 176.54 178.40 2c41 h SER 53 N 0.69 0.65 -0.41 0.19 0.02 -0.34 0.16 113.55 114.51 2c41 h SER 53 Ca 0.38 -0.16 -0.15 0.00 -0.84 0.00 0.00 61.79 61.02 2c41 h SER 53 Cb 0.38 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2c41 h SER 53 CO -0.26 0.74 -0.35 -0.33 -1.14 0.00 0.00 176.83 175.49 2c41 h GLU 54 N 0.63 0.96 -0.51 3.45 5.08 -0.94 -2.29 114.58 120.96 2c41 h GLU 54 Ca 0.12 -0.48 -0.08 0.00 -1.00 0.00 0.00 59.36 57.92 2c41 h GLU 54 Cb 0.45 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2c41 h GLU 54 CO 0.02 1.15 0.02 0.28 -1.00 0.00 0.00 179.01 179.48 2c41 h VAL 55 N 0.79 1.26 -0.59 3.13 2.07 -0.94 -3.14 116.25 118.84 2c41 h VAL 55 Ca 0.07 -1.06 0.11 0.00 0.82 0.00 0.00 66.70 66.65 2c41 h VAL 55 Cb 0.94 0.94 -0.08 0.00 -1.52 0.00 0.00 31.29 31.57 2c41 h VAL 55 CO 0.09 0.37 0.12 0.15 0.02 0.00 0.00 177.57 178.33 2c41 h PHE 56 N 0.75 0.20 -0.11 1.57 3.04 -0.51 -1.38 116.94 120.50 2c41 h PHE 56 Ca 0.15 0.04 0.03 0.00 3.98 0.00 0.00 57.97 62.16 2c41 h PHE 56 Cb 0.50 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.00 2c41 h PHE 56 CO 0.04 -0.03 0.10 0.00 -2.02 0.00 0.00 178.31 176.40 2c41 h ALA 57 N 1.47 1.87 0.00 2.41 0.00 -1.36 -1.59 119.26 122.06 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 0.45 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2c41 h ALA 57 CO -0.39 -0.16 -0.30 0.52 0.00 0.00 0.00 179.25 178.91 2c41 h MET 58 N 0.00 0.00 0.03 0.00 2.86 -1.30 -3.27 114.93 113.26 2c41 h MET 58 Ca 0.05 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.71 2c41 h MET 58 Cb 0.26 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 2c41 h MET 58 CO -0.00 0.30 -0.16 0.82 1.06 0.00 0.00 176.91 178.93 2c41 h ILE 59 N 0.00 0.62 -0.45 -1.22 2.04 -1.33 -0.09 117.51 117.08 2c41 h ILE 59 Ca -0.00 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.75 2c41 h ILE 59 Cb 0.70 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 2c41 h ILE 59 CO 0.04 0.00 -0.16 -0.78 0.00 0.00 0.00 178.15 177.25 2c41 h ASP 60 N -0.28 0.86 -0.23 1.72 1.82 -1.73 -1.18 116.42 117.40 2c41 h ASP 60 Ca 0.04 -0.29 -0.00 0.00 -0.39 0.00 0.00 57.03 56.39 2c41 h ASP 60 Cb 0.33 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.09 2c41 h ASP 60 CO -0.13 1.02 0.13 -0.33 -1.61 0.00 0.00 179.24 178.32 2c41 h GLU 61 N 0.76 0.32 -0.20 0.28 5.08 -1.53 -0.09 114.58 119.21 2c41 h GLU 61 Ca 0.12 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.27 2c41 h GLU 61 Cb 0.68 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 2c41 h GLU 61 CO 0.05 0.28 -0.56 -0.07 -1.00 0.00 0.00 179.01 177.71 2c41 h LEU 62 N 0.27 0.68 -0.17 1.33 3.38 -0.92 -1.75 115.31 118.13 2c41 h LEU 62 Ca 0.08 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 2c41 h LEU 62 Cb 0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2c41 h LEU 62 CO -0.01 1.10 -0.04 0.00 0.09 0.00 0.00 178.44 179.58 2c41 h ALA 63 N 0.92 0.24 0.00 1.53 0.00 -1.11 -3.13 119.26 117.71 2c41 h ALA 63 Ca 0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2c41 h ALA 63 Cb 1.11 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2c41 h ALA 63 CO 0.11 -0.01 -0.27 0.93 0.00 0.00 0.00 179.25 180.01 2c41 h GLU 64 N 0.04 0.00 -0.75 0.00 5.08 -1.01 -2.55 114.58 115.40 2c41 h GLU 64 Ca 0.04 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 2c41 h GLU 64 Cb 0.47 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 2c41 h GLU 64 CO 0.02 0.27 0.45 -0.09 -1.00 0.00 0.00 179.01 178.66 2c41 h ARG 65 N 0.00 0.82 -0.62 2.33 9.65 -1.26 -0.93 114.38 124.37 2c41 h ARG 65 Ca -0.00 -0.05 0.07 0.00 -1.10 0.00 0.00 59.98 58.90 2c41 h ARG 65 Cb 0.80 -0.19 -0.06 0.00 -1.39 0.00 0.00 29.97 29.14 2c41 h ARG 65 CO 0.03 0.55 0.30 0.77 2.80 0.00 0.00 179.97 184.42 2c41 h SER 66 N 0.85 0.40 -0.75 -3.80 0.02 -1.45 -2.18 113.55 106.64 2c41 h SER 66 Ca 0.32 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.27 2c41 h SER 66 Cb 0.13 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 2c41 h SER 66 CO -0.16 0.26 0.30 -0.07 -1.14 0.00 0.00 176.83 176.02 2c41 h LEU 67 N 0.55 1.05 -1.49 5.07 -0.00 -1.38 0.54 115.31 119.64 2c41 h LEU 67 Ca 0.29 -0.16 0.00 0.00 -0.00 0.00 0.00 57.88 58.00 2c41 h LEU 67 Cb 0.25 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 2c41 h LEU 67 CO -0.22 0.94 0.00 0.24 -0.00 0.00 0.00 178.44 179.40 2c41 h MET 68 N 1.11 0.00 -0.60 1.13 2.86 -0.60 -1.53 114.93 117.30 2c41 h MET 68 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2c41 h MET 68 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2c41 h MET 68 CO -0.02 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.23 2c41 n LEU 69 N -2.72 5.18 -1.65 1.22 4.77 -0.89 -4.93 117.00 117.97 2c41 n LEU 69 Ca 0.00 -2.69 -0.18 0.00 -0.03 0.00 0.00 56.01 53.12 2c41 n LEU 69 Cb 0.21 -0.62 -0.05 0.00 -2.33 0.00 0.00 43.42 40.63 2c41 n LEU 69 CO 0.21 0.73 -0.19 0.47 -1.33 0.00 0.00 177.39 177.28 2c41 n ASP 70 N 0.83 -5.14 -1.03 -1.43 10.43 -0.58 -5.00 116.55 114.64 2c41 n ASP 70 Ca 0.27 0.23 0.00 0.00 2.57 0.00 0.00 54.79 57.86 2c41 n ASP 70 Cb 1.03 -4.20 0.00 0.00 1.84 0.00 0.00 41.12 39.79 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 -0.90 4.04 3.18 0.44 0.00 0.13 -5.00 105.19 107.07 2c41 n GLY 71 Ca -0.19 -2.11 -0.22 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.09 1.07 0.90 1.61 -0.21 -1.26 -3.85 119.66 117.82 2c41 s GLN 72 Ca 0.00 -0.82 -0.14 0.00 0.02 0.00 0.00 55.36 54.42 2c41 s GLN 72 Cb 0.00 -1.11 0.14 0.00 1.00 0.00 0.00 33.01 33.04 2c41 s GLN 72 CO 0.00 0.28 1.21 -1.25 -2.12 0.00 0.00 175.29 173.41 2c41 s PRO 73 N -1.17 1.19 0.33 2.91 0.04 -1.26 -4.88 135.00 132.17 2c41 s PRO 73 Ca 0.03 -0.02 -0.29 0.00 0.04 0.00 0.00 61.00 60.77 2c41 s PRO 73 Cb -0.08 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 2c41 s PRO 73 CO 0.01 -2.10 1.39 0.08 0.04 0.00 0.00 177.00 176.42 2c41 s VAL 74 N -3.57 2.49 0.00 -0.36 1.01 -1.26 -4.89 120.40 113.82 2c41 s VAL 74 Ca 0.67 0.48 0.00 0.00 0.00 0.00 0.00 61.98 63.12 2c41 s VAL 74 Cb -0.10 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2c41 s VAL 74 CO 0.52 0.11 0.00 0.00 0.00 0.00 0.00 175.10 175.72 2c41 n ALA 75 N 0.96 1.17 -2.14 5.51 0.00 -1.26 -5.04 120.51 119.71 2c41 n ALA 75 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 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 -1.84 6.76 0.44 0.00 -0.00 -1.26 -4.90 116.67 115.86 2c41 s ASP 76 Ca 0.00 2.06 0.20 0.00 -0.00 0.00 0.00 52.55 54.81 2c41 s ASP 76 Cb 0.00 -2.54 1.16 0.00 -0.00 0.00 0.00 42.92 41.55 2c41 s ASP 76 CO 0.00 -0.87 1.84 -0.65 -0.00 0.00 0.00 175.17 175.49 2c41 h PRO 77 N 9.08 0.32 0.00 8.23 0.11 -2.04 0.54 132.00 148.24 2c41 h PRO 77 Ca -0.35 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 2c41 h PRO 77 Cb 1.15 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2c41 h PRO 77 CO 0.96 0.21 -0.01 0.00 -0.21 0.00 0.00 178.00 178.95 2c41 h ALA 78 N 1.60 1.03 0.00 -0.75 0.00 -2.05 -3.01 119.26 116.08 2c41 h ALA 78 Ca 0.49 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.28 2c41 h ALA 78 Cb 1.35 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2c41 h ALA 78 CO -0.17 0.01 -0.55 -0.44 0.00 0.00 0.00 179.25 178.10 2c41 h ASP 79 N 0.00 0.00 -0.27 0.00 3.45 -1.27 -3.39 116.42 114.95 2c41 h ASP 79 Ca -0.00 0.00 0.04 0.00 0.43 0.00 0.00 57.03 57.50 2c41 h ASP 79 Cb 0.19 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 38.93 2c41 h ASP 79 CO 0.00 0.55 0.05 1.88 -1.57 0.00 0.00 179.24 180.15 2c41 h TYR 80 N 0.00 0.09 0.00 4.55 0.05 -1.62 -1.59 116.97 118.45 2c41 h TYR 80 Ca -0.01 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2c41 h TYR 80 Cb 1.40 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.14 2c41 h TYR 80 CO 0.00 0.02 0.00 -0.07 -1.05 0.00 0.00 178.16 177.06 2c41 h LEU 81 N 0.15 0.00 0.00 3.88 4.07 -1.80 -0.62 115.31 120.99 2c41 h LEU 81 Ca 0.12 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.05 2c41 h LEU 81 Cb 0.13 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 2c41 h LEU 81 CO -0.17 0.00 -0.61 0.11 -1.08 0.00 0.00 178.44 176.69 2c41 h LYS 82 N 0.00 0.00 0.00 1.13 1.57 -1.51 -3.38 116.57 114.38 2c41 h LYS 82 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 2c41 h LYS 82 Cb 0.49 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.76 2c41 h LYS 82 CO 0.00 0.09 -1.96 0.28 -0.57 0.00 0.00 179.45 177.29 2c41 n VAL 83 N -2.93 0.96 -1.87 0.50 0.31 -0.83 -5.00 118.33 109.47 2c41 n VAL 83 Ca 0.01 -0.51 -0.40 0.00 -0.01 0.00 0.00 64.34 63.43 2c41 n VAL 83 Cb 0.60 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 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 -2.34 3.37 -0.34 3.52 0.00 -0.26 -4.71 121.76 121.00 2c41 s ALA 84 Ca -0.13 1.44 0.17 0.00 0.00 0.00 0.00 51.96 53.44 2c41 s ALA 84 Cb 0.05 -3.57 -0.22 0.00 0.00 0.00 0.00 23.12 19.37 2c41 s ALA 84 CO 0.50 -1.04 0.50 0.25 0.00 0.00 0.00 175.76 175.97 2c41 n THR 85 N 0.15 0.00 -2.05 0.00 -2.24 -1.26 -4.97 114.28 103.91 2c41 n THR 85 Ca 0.03 -0.27 -0.35 0.00 -2.27 0.00 0.00 64.05 61.19 2c41 n THR 85 Cb 0.41 0.49 0.03 0.00 -2.10 0.00 0.00 70.33 69.16 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 -2.89 2.92 -0.25 2.28 -7.23 -1.26 -4.97 120.40 108.99 2c41 s VAL 86 Ca -0.01 0.54 -0.29 0.00 -1.81 0.00 0.00 61.98 60.42 2c41 s VAL 86 Cb 0.11 -3.18 0.01 0.00 0.56 0.00 0.00 36.38 33.88 2c41 s VAL 86 CO 0.68 -0.15 1.08 -0.89 -0.31 0.00 0.00 175.10 175.52 2c41 s THR 87 N -1.79 4.57 0.20 5.32 2.01 -1.26 -5.01 115.64 119.69 2c41 s THR 87 Ca 0.74 1.87 -0.30 0.00 0.31 0.00 0.00 61.69 64.31 2c41 s THR 87 Cb -0.26 -4.31 -0.09 0.00 0.01 0.00 0.00 72.50 67.85 2c41 s THR 87 CO 0.32 -0.27 1.34 -2.16 -0.69 0.00 0.00 174.62 173.16 2c41 s PRO 88 N 3.39 4.36 0.32 4.92 0.04 -1.26 -4.95 135.00 141.83 2c41 s PRO 88 Ca 0.46 2.10 -0.29 0.00 0.04 0.00 0.00 61.00 63.31 2c41 s PRO 88 Cb -0.15 -3.18 -0.10 0.00 0.04 0.00 0.00 34.50 31.11 2c41 s PRO 88 CO 0.10 -0.29 1.37 0.45 0.04 0.00 0.00 177.00 178.67 2c41 s SER 89 N 0.38 6.67 -0.04 6.66 0.15 -1.26 -5.02 113.70 121.24 2c41 s SER 89 Ca 0.58 2.75 0.01 0.00 0.70 0.00 0.00 55.95 59.99 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 0.39 -0.63 -0.02 -0.55 1.20 0.00 0.00 173.24 173.62 2c41 s SER 90 N -0.26 0.83 0.00 5.45 0.15 -1.26 -5.07 113.70 113.53 2c41 s SER 90 Ca 0.52 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.08 2c41 s SER 90 Cb -0.41 -0.37 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 2c41 s SER 90 CO 0.53 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.50 2c41 n GLY 91 N 4.17 -1.21 3.72 9.45 0.00 -1.26 -4.86 105.19 115.20 2c41 n GLY 91 Ca -0.24 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 2c41 n GLY 91 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c41 s GLN 92 N -1.08 4.46 0.06 1.61 -1.52 -1.26 -5.03 119.66 116.89 2c41 s GLN 92 Ca 0.00 1.77 0.05 0.00 -1.95 0.00 0.00 55.36 55.23 2c41 s GLN 92 Cb 0.00 -3.33 -0.03 0.00 -0.22 0.00 0.00 33.01 29.44 2c41 s GLN 92 CO 0.00 -0.20 -0.15 -0.51 -0.25 0.00 0.00 175.29 174.18 2c41 s LEU 93 N 0.75 2.23 0.78 2.90 1.43 -1.26 -5.13 118.68 120.38 2c41 s LEU 93 Ca 0.57 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 53.00 2c41 s LEU 93 Cb -0.30 -0.62 0.06 0.00 0.03 0.00 0.00 46.19 45.36 2c41 s LEU 93 CO 0.31 -0.00 1.10 0.42 0.23 0.00 0.00 176.35 178.40 2c41 s THR 94 N -1.06 3.17 0.19 5.49 -4.23 -1.26 -4.86 115.64 113.08 2c41 s THR 94 Ca 0.01 0.38 -0.12 0.00 -1.18 0.00 0.00 61.69 60.78 2c41 s THR 94 Cb -0.09 -3.16 0.11 0.00 1.34 0.00 0.00 72.50 70.70 2c41 s THR 94 CO 0.02 -0.50 1.85 0.58 -0.54 0.00 0.00 174.62 176.03 2c41 h VAL 95 N -1.01 1.12 -0.58 2.29 2.07 -1.93 -0.67 116.25 117.54 2c41 h VAL 95 Ca -0.47 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 66.87 2c41 h VAL 95 Cb 1.26 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 2c41 h VAL 95 CO 0.60 0.15 0.22 0.50 0.02 0.00 0.00 177.57 179.05 2c41 h LYS 96 N 0.80 0.39 -0.73 1.57 3.64 -1.99 -1.39 116.57 118.86 2c41 h LYS 96 Ca 0.24 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.55 2c41 h LYS 96 Cb -0.03 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 2c41 h LYS 96 CO -0.08 0.26 0.25 1.96 -2.27 0.00 0.00 179.45 179.57 2c41 h GLN 97 N 0.40 1.10 -0.30 1.90 4.20 -1.77 -0.53 115.11 120.12 2c41 h GLN 97 Ca 0.29 -0.22 0.01 0.00 0.06 0.00 0.00 58.65 58.80 2c41 h GLN 97 Cb 0.34 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 2c41 h GLN 97 CO -0.29 0.92 0.17 0.52 -0.67 0.00 0.00 178.83 179.49 2c41 h MET 98 N 1.07 0.35 -0.42 1.46 2.86 -0.59 -0.25 114.93 119.41 2c41 h MET 98 Ca 0.24 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 2c41 h MET 98 Cb 0.26 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2c41 h MET 98 CO -0.01 0.23 0.16 0.82 1.06 0.00 0.00 176.91 179.16 2c41 h ILE 99 N 0.36 1.20 -0.65 -1.22 2.04 -0.96 -0.56 117.51 117.71 2c41 h ILE 99 Ca 0.12 -0.64 0.02 0.00 1.00 0.00 0.00 64.86 65.36 2c41 h ILE 99 Cb 0.00 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 2c41 h ILE 99 CO -0.06 0.23 0.42 -0.33 0.00 0.00 0.00 178.15 178.41 2c41 h GLU 100 N 0.53 0.81 -0.40 2.37 5.08 -0.96 -1.07 114.58 120.94 2c41 h GLU 100 Ca 0.14 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2c41 h GLU 100 Cb 0.21 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2c41 h GLU 100 CO -0.01 0.54 0.15 1.49 -1.00 0.00 0.00 179.01 180.18 2c41 h GLU 101 N 0.83 0.61 -0.36 2.33 4.81 -0.86 -1.82 114.58 120.12 2c41 h GLU 101 Ca 0.25 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 2c41 h GLU 101 Cb -0.03 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 2c41 h GLU 101 CO -0.08 0.58 0.19 0.00 -0.73 0.00 0.00 179.01 178.97 2c41 h ALA 102 N 1.00 0.45 -0.28 2.92 0.00 -0.82 -1.20 119.26 121.32 2c41 h ALA 102 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2c41 h ALA 102 Cb 0.20 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2c41 h ALA 102 CO -0.01 -0.16 0.13 0.82 0.00 0.00 0.00 179.25 180.02 2c41 h ILE 103 N 0.40 0.97 -0.44 0.00 2.04 -1.06 0.94 117.51 120.36 2c41 h ILE 103 Ca 0.15 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.94 2c41 h ILE 103 Cb 0.03 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 2c41 h ILE 103 CO -0.09 0.05 0.24 0.00 0.00 0.00 0.00 178.15 178.36 2c41 h ALA 104 N 1.16 0.55 -0.50 1.87 0.00 -1.06 0.44 119.26 121.72 2c41 h ALA 104 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2c41 h ALA 104 Cb 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2c41 h ALA 104 CO -0.10 -0.09 0.10 -0.91 0.00 0.00 0.00 179.25 178.26 2c41 h ASN 105 N 0.49 0.78 -0.97 0.00 -0.26 -0.96 -1.70 115.58 112.96 2c41 h ASN 105 Ca 0.18 -0.25 0.01 0.00 -0.56 0.00 0.00 56.30 55.69 2c41 h ASN 105 Cb 0.04 -0.21 -0.05 0.00 -1.06 0.00 0.00 38.32 37.05 2c41 h ASN 105 CO -0.10 0.82 0.64 0.45 -1.06 0.00 0.00 177.43 178.19 2c41 h HIS 106 N 0.70 1.21 -0.58 1.19 3.86 -0.41 -1.02 115.15 120.10 2c41 h HIS 106 Ca 0.15 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.31 2c41 h HIS 106 Cb 0.36 -0.41 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 2c41 h HIS 106 CO 0.02 0.75 0.02 0.93 0.86 0.00 0.00 177.93 180.51 2c41 h GLU 107 N 1.30 1.00 -0.15 2.45 5.08 -0.64 0.14 114.58 123.75 2c41 h GLU 107 Ca 0.36 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2c41 h GLU 107 Cb -0.13 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 2c41 h GLU 107 CO -0.08 0.97 0.08 1.25 -1.00 0.00 0.00 179.01 180.23 2c41 h LEU 108 N 0.92 0.19 -0.61 1.33 6.46 -0.95 -1.34 115.31 121.31 2c41 h LEU 108 Ca 0.17 -0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 2c41 h LEU 108 Cb 0.51 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.36 2c41 h LEU 108 CO 0.02 0.22 0.38 0.40 -0.62 0.00 0.00 178.44 178.84 2c41 h ILE 109 N 0.15 1.17 -0.37 4.05 2.04 -0.75 -0.33 117.51 123.46 2c41 h ILE 109 Ca 0.05 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2c41 h ILE 109 Cb 0.07 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 2c41 h ILE 109 CO -0.01 0.18 0.24 0.40 0.00 0.00 0.00 178.15 178.96 2c41 h ILE 110 N 0.83 1.10 -0.10 -0.67 2.04 -0.60 0.28 117.51 120.38 2c41 h ILE 110 Ca 0.22 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.91 2c41 h ILE 110 Cb -0.04 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 2c41 h ILE 110 CO -0.04 0.09 0.00 0.74 0.00 0.00 0.00 178.15 178.94 2c41 h THR 111 N 0.50 0.93 -0.84 -0.27 2.02 -0.97 -2.16 112.91 112.12 2c41 h THR 111 Ca 0.14 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.27 2c41 h THR 111 Cb -0.05 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 2c41 h THR 111 CO -0.03 0.01 0.38 -0.33 0.37 0.00 0.00 175.52 175.92 2c41 h GLU 112 N 0.04 1.22 -0.41 6.66 5.08 -0.59 -1.94 114.58 124.65 2c41 h GLU 112 Ca 0.05 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 2c41 h GLU 112 Cb 0.05 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2c41 h GLU 112 CO -0.08 0.95 -0.09 0.52 -1.00 0.00 0.00 179.01 179.32 2c41 h MET 113 N 1.20 0.71 -0.36 2.33 2.86 -0.29 0.37 114.93 121.76 2c41 h MET 113 Ca 0.29 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 2c41 h MET 113 Cb 0.15 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 2c41 h MET 113 CO -0.03 0.78 0.12 0.45 1.06 0.00 0.00 176.91 179.29 2c41 h HIS 114 N 0.65 0.57 -0.46 -0.22 3.86 -1.15 0.46 115.15 118.87 2c41 h HIS 114 Ca 0.12 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2c41 h HIS 114 Cb 0.53 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 2c41 h HIS 114 CO 0.02 0.55 0.28 1.96 0.86 0.00 0.00 177.93 181.60 2c41 h GLN 115 N 0.43 0.62 -0.15 2.45 4.20 -0.94 -2.37 115.11 119.36 2c41 h GLN 115 Ca 0.12 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.64 2c41 h GLN 115 Cb 0.24 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2c41 h GLN 115 CO -0.01 0.45 -0.49 -0.44 -0.67 0.00 0.00 178.83 177.68 2c41 h ASP 116 N 0.61 0.42 -0.80 1.46 3.45 -0.19 -1.60 116.42 119.77 2c41 h ASP 116 Ca 0.16 -0.20 -0.04 0.00 0.43 0.00 0.00 57.03 57.38 2c41 h ASP 116 Cb -0.01 -0.12 -0.04 0.00 -0.56 0.00 0.00 39.33 38.61 2c41 h ASP 116 CO -0.03 0.84 0.35 0.00 -1.57 0.00 0.00 179.24 178.83 2c41 h ALA 117 N 1.18 1.03 -0.54 3.45 0.00 -0.78 -1.06 119.26 122.53 2c41 h ALA 117 Ca 0.02 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2c41 h ALA 117 Cb 0.97 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2c41 h ALA 117 CO 0.08 0.63 0.07 1.49 0.00 0.00 0.00 179.25 181.53 2c41 h GLU 118 N 1.15 0.91 -0.25 0.00 4.57 -0.98 -0.11 114.58 119.87 2c41 h GLU 118 Ca 0.27 -0.25 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 2c41 h GLU 118 Cb 0.17 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 2c41 h GLU 118 CO -0.03 0.89 0.08 0.82 -1.18 0.00 0.00 179.01 179.59 2c41 h ILE 119 N 0.80 0.93 -0.55 2.32 2.04 -1.15 -0.36 117.51 121.54 2c41 h ILE 119 Ca 0.16 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 2c41 h ILE 119 Cb 0.43 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2c41 h ILE 119 CO 0.01 0.04 0.33 0.00 0.00 0.00 0.00 178.15 178.53 2c41 h ALA 120 N 1.16 0.70 -0.63 1.87 0.00 -0.97 -1.53 119.26 119.85 2c41 h ALA 120 Ca 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2c41 h ALA 120 Cb 0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2c41 h ALA 120 CO -0.11 0.19 0.36 1.15 0.00 0.00 0.00 179.25 180.83 2c41 h THR 121 N 0.74 1.20 -0.01 0.00 2.02 -0.75 0.37 112.91 116.48 2c41 h THR 121 Ca 0.20 -0.48 -0.05 0.00 0.77 0.00 0.00 66.41 66.85 2c41 h THR 121 Cb -0.01 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 2c41 h THR 121 CO -0.04 0.21 -0.21 -0.33 0.37 0.00 0.00 175.52 175.53 2c41 h GLU 122 N 0.86 0.02 -0.00 6.66 5.08 -0.79 -1.27 114.58 125.14 2c41 h GLU 122 Ca 0.22 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2c41 h GLU 122 Cb 0.02 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2c41 h GLU 122 CO -0.04 0.23 -0.02 0.00 -1.00 0.00 0.00 179.01 178.18 2c41 n ALA 123 N -2.50 2.58 -1.01 3.43 0.00 -0.60 -4.89 120.51 117.51 2c41 n ALA 123 Ca -0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 53.44 53.23 2c41 n ALA 123 Cb 0.27 -1.47 -0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 1.22 0.46 3.42 0.00 0.00 -0.48 -4.96 105.19 104.85 2c41 n GLY 124 Ca 0.16 -0.15 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 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 0.13 5.15 0.01 1.61 -0.08 0.06 -4.82 116.55 118.60 2c41 n ASP 125 Ca -0.00 -2.98 0.01 0.00 -1.51 0.00 0.00 54.79 50.30 2c41 n ASP 125 Cb 0.07 -1.59 0.32 0.00 2.34 0.00 0.00 41.12 42.26 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 4.69 1.18 -0.20 5.18 3.07 -1.92 -1.89 117.51 127.63 2c41 h ILE 126 Ca 0.35 -0.67 -0.01 0.00 1.55 0.00 0.00 64.86 66.07 2c41 h ILE 126 Cb 0.84 0.87 -0.01 0.00 -0.27 0.00 0.00 36.82 38.26 2c41 h ILE 126 CO 1.33 0.24 0.07 1.23 -1.05 0.00 0.00 178.15 179.96 2c41 h GLY 127 N 0.78 0.33 1.05 0.16 0.00 -1.96 -1.19 103.07 102.24 2c41 h GLY 127 Ca 0.11 -0.19 -0.10 0.00 0.00 0.00 0.00 47.33 47.15 2c41 h GLY 127 CO 0.00 0.18 -0.10 -0.84 0.00 0.00 0.00 176.54 175.78 2c41 h THR 128 N 0.15 1.27 -0.68 4.70 2.02 -1.89 -0.63 112.91 117.84 2c41 h THR 128 Ca 0.06 -1.23 0.07 0.00 0.77 0.00 0.00 66.41 66.08 2c41 h THR 128 Cb 0.22 1.05 -0.06 0.00 -1.74 0.00 0.00 68.15 67.62 2c41 h THR 128 CO -0.00 0.43 0.37 0.00 0.37 0.00 0.00 175.52 176.69 2c41 h ALA 129 N 0.90 0.92 -0.57 6.16 0.00 -1.32 -1.89 119.26 123.45 2c41 h ALA 129 Ca 0.13 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2c41 h ALA 129 Cb 0.65 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2c41 h ALA 129 CO 0.04 0.04 0.20 0.22 0.00 0.00 0.00 179.25 179.75 2c41 h ASP 130 N 0.68 0.82 0.01 0.00 3.58 -0.91 -0.74 116.42 119.86 2c41 h ASP 130 Ca 0.31 -0.19 0.03 0.00 0.42 0.00 0.00 57.03 57.59 2c41 h ASP 130 Cb 0.22 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 2c41 h ASP 130 CO -0.20 0.79 -0.18 0.25 -2.88 0.00 0.00 179.24 177.03 2c41 h LEU 131 N 0.80 -0.51 -1.10 2.28 5.85 -0.69 0.28 115.31 122.21 2c41 h LEU 131 Ca 0.19 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 2c41 h LEU 131 Cb 0.25 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 2c41 h LEU 131 CO -0.01 -0.24 0.44 1.88 -0.34 0.00 0.00 178.44 180.17 2c41 h TYR 132 N -0.29 1.03 -0.69 1.25 0.99 -1.24 -0.71 116.97 117.31 2c41 h TYR 132 Ca 0.05 -0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.72 2c41 h TYR 132 Cb 0.36 -0.33 -0.03 0.00 1.00 0.00 0.00 36.73 37.72 2c41 h TYR 132 CO -0.22 0.71 0.23 1.15 -0.00 0.00 0.00 178.16 180.02 2c41 h THR 133 N 1.07 1.25 0.08 -2.88 2.02 -0.56 -0.86 112.91 113.03 2c41 h THR 133 Ca 0.27 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 2c41 h THR 133 Cb 0.00 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 2c41 h THR 133 CO -0.05 0.33 -0.04 -0.09 0.37 0.00 0.00 175.52 176.05 2c41 h ARG 134 N 1.01 -0.10 -0.33 6.66 2.43 -0.71 -3.33 114.38 120.01 2c41 h ARG 134 Ca 0.22 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.36 2c41 h ARG 134 Cb 0.28 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 2c41 h ARG 134 CO -0.01 0.35 0.04 -0.07 -1.51 0.00 0.00 179.97 178.78 2c41 h LEU 135 N -0.60 0.45 -1.63 3.80 3.38 -1.07 -2.74 115.31 116.89 2c41 h LEU 135 Ca -0.01 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 2c41 h LEU 135 Cb 0.50 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2c41 h LEU 135 CO 0.02 0.49 -0.17 1.62 0.09 0.00 0.00 178.44 180.49 2c41 h VAL 136 N 0.48 1.13 -0.47 1.22 3.04 -1.26 -2.25 116.25 118.15 2c41 h VAL 136 Ca 0.11 -0.61 -0.09 0.00 -1.01 0.00 0.00 66.70 65.10 2c41 h VAL 136 Cb 0.25 1.32 -0.02 0.00 -2.01 0.00 0.00 31.29 30.83 2c41 h VAL 136 CO 0.00 0.18 -0.06 1.56 -1.01 0.00 0.00 177.57 178.24 2c41 h GLN 137 N 0.01 0.81 -0.38 4.17 4.20 -1.60 -0.17 115.11 122.15 2c41 h GLN 137 Ca 0.00 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.45 2c41 h GLN 137 Cb 0.31 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 2c41 h GLN 137 CO 0.02 0.85 0.18 1.15 -0.67 0.00 0.00 178.83 180.37 2c41 h THR 138 N 0.74 1.17 -0.96 -0.54 2.02 -1.50 -0.73 112.91 113.12 2c41 h THR 138 Ca 0.13 -0.49 0.03 0.00 0.77 0.00 0.00 66.41 66.85 2c41 h THR 138 Cb 0.53 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 67.68 2c41 h THR 138 CO 0.03 0.18 0.63 0.45 0.37 0.00 0.00 175.52 177.18 2c41 h HIS 139 N 0.48 1.19 -0.49 3.16 3.86 -1.18 -0.71 115.15 121.46 2c41 h HIS 139 Ca 0.13 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.29 2c41 h HIS 139 Cb 0.12 -0.40 -0.02 0.00 1.06 0.00 0.00 27.41 28.17 2c41 h HIS 139 CO -0.01 0.71 -0.03 1.96 0.86 0.00 0.00 177.93 181.41 2c41 h GLN 140 N 1.25 0.83 -0.09 2.45 4.20 -0.76 -0.46 115.11 122.53 2c41 h GLN 140 Ca 0.37 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 2c41 h GLN 140 Cb -0.06 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 2c41 h GLN 140 CO -0.10 0.86 0.04 -0.22 -0.67 0.00 0.00 178.83 178.74 2c41 h LYS 141 N 0.77 0.14 -0.67 1.46 3.64 -0.59 -2.10 116.57 119.21 2c41 h LYS 141 Ca 0.14 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.54 2c41 h LYS 141 Cb 0.51 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.26 2c41 h LYS 141 CO 0.03 0.23 0.40 0.45 -2.27 0.00 0.00 179.45 178.29 2c41 h HIS 142 N 0.01 0.75 -0.47 1.91 3.86 -0.84 -1.37 115.15 118.99 2c41 h HIS 142 Ca 0.03 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 2c41 h HIS 142 Cb 0.14 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 2c41 h HIS 142 CO -0.02 0.40 0.25 -0.09 0.86 0.00 0.00 177.93 179.32 2c41 h ARG 143 N 0.77 0.66 0.09 2.45 2.43 -1.04 -1.42 114.38 118.31 2c41 h ARG 143 Ca 0.28 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.38 2c41 h ARG 143 Cb 0.09 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2c41 h ARG 143 CO -0.14 0.53 -0.13 2.35 -1.51 0.00 0.00 179.97 181.07 2c41 h TRP 144 N 0.62 -0.34 -0.32 2.20 7.01 -0.92 -0.41 115.95 123.79 2c41 h TRP 144 Ca 0.16 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.24 2c41 h TRP 144 Cb 0.07 0.14 -0.07 0.00 -2.10 0.00 0.00 29.16 27.20 2c41 h TRP 144 CO -0.02 -0.20 -0.13 0.74 -2.79 0.00 0.00 178.44 176.04 2c41 h PHE 145 N -0.27 -0.32 -0.41 2.65 -1.00 -1.08 -1.80 116.94 114.72 2c41 h PHE 145 Ca 0.02 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.83 2c41 h PHE 145 Cb 0.28 0.19 -0.02 0.00 3.61 0.00 0.00 35.95 40.01 2c41 h PHE 145 CO -0.15 -0.20 0.24 -0.07 -1.61 0.00 0.00 178.31 176.52 2c41 h LEU 146 N -0.08 0.50 -1.09 1.54 4.07 -1.10 -2.67 115.31 116.49 2c41 h LEU 146 Ca 0.16 -0.06 0.04 0.00 0.08 0.00 0.00 57.88 58.09 2c41 h LEU 146 Cb 0.32 -0.13 -0.05 0.00 1.08 0.00 0.00 40.66 41.88 2c41 h LEU 146 CO -0.37 0.42 0.62 0.11 -1.08 0.00 0.00 178.44 178.14 2c41 h LYS 147 N 0.54 1.14 -0.71 1.13 1.57 -0.69 -2.29 116.57 117.26 2c41 h LYS 147 Ca 0.15 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2c41 h LYS 147 Cb 0.02 -0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.03 2c41 h LYS 147 CO -0.03 0.75 0.47 0.93 -0.57 0.00 0.00 179.45 181.01 2c41 h GLU 148 N 1.17 0.88 0.00 3.15 4.39 -0.98 -1.53 114.58 121.67 2c41 h GLU 148 Ca 0.38 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 60.02 2c41 h GLU 148 Cb 0.03 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.48 2c41 h GLU 148 CO -0.12 0.58 -0.03 0.74 -1.16 0.00 0.00 179.01 179.02 2c41 h PHE 149 N 0.91 0.00 -0.00 4.33 -1.00 -1.34 -2.14 116.94 117.70 2c41 h PHE 149 Ca 0.27 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.05 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 0.03 -0.47 1.28 -1.61 0.00 0.00 178.31 177.55 2c41 n LEU 150 N -3.47 0.59 -4.77 1.54 4.32 -0.58 -4.93 117.00 109.70 2c41 n LEU 150 Ca -0.02 -0.05 -0.36 0.00 -0.02 0.00 0.00 56.01 55.56 2c41 n LEU 150 Cb 0.14 -0.23 -0.01 0.00 -1.62 0.00 0.00 43.42 41.71 2c41 n LEU 150 CO 0.26 0.14 0.80 0.00 -1.22 0.00 0.00 177.39 177.36 2c41 s ALA 151 N -2.92 2.84 0.46 -1.18 0.00 -0.81 -5.06 121.76 115.10 2c41 s ALA 151 Ca 0.13 0.86 0.05 0.00 0.00 0.00 0.00 51.96 53.00 2c41 s ALA 151 Cb 0.18 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 2c41 s ALA 151 CO 0.67 -0.67 0.07 0.15 0.00 0.00 0.00 175.76 175.98 2c41 s LYS 152 N -2.99 2.12 0.00 0.00 1.02 -1.26 -4.84 119.74 113.79 2c41 s LYS 152 Ca 0.68 -2.16 0.00 0.00 0.02 0.00 0.00 55.97 54.51 2c41 s LYS 152 Cb -0.25 -1.71 0.00 0.00 -0.52 0.00 0.00 37.83 35.35 2c41 s LYS 152 CO 0.30 -0.22 0.00 0.41 -0.92 0.00 0.00 175.35 174.92 2c41 n GLY 153 N -1.20 0.40 0.26 -3.33 0.00 -1.22 -4.95 105.19 95.16 2c41 n GLY 153 Ca -0.09 -0.88 0.14 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 0.00 0.00 1.61 3.04 -1.82 -3.47 116.42 115.78 2c41 h ASP 154 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2c41 h ASP 154 Cb 0.92 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.21 2c41 h ASP 154 CO 0.00 0.10 0.00 0.61 -2.04 0.00 0.00 179.24 177.91 2c41 n GLY 155 N -0.13 0.97 0.61 7.15 0.00 -0.88 -4.86 105.19 108.06 2c41 n GLY 155 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.96 0.00 0.99 4.77 -1.26 -4.90 117.00 117.56 2c41 n LEU 156 Ca 0.00 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2c41 n LEU 156 Cb 0.00 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 2c41 n LEU 156 CO 0.00 0.26 0.05 1.33 -1.33 0.00 0.00 177.39 177.71 2c41 n VAL 157 N -3.41 0.00 -1.41 4.08 0.24 -1.26 -5.22 118.33 111.34 2c41 n VAL 157 Ca -0.21 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 2c41 n VAL 157 Cb 0.65 1.38 0.00 0.00 -1.47 0.00 0.00 33.84 34.40 2c41 n VAL 157 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15