#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rk4 s ASN 23 N 0.00 6.71 -0.06 1.61 0.01 -1.26 -4.96 114.94 116.99 1rk4 s ASN 23 Ca 0.00 1.81 -0.36 0.00 -0.71 0.00 0.00 52.86 53.61 1rk4 s ASN 23 Cb 0.00 -2.55 -0.13 0.00 0.41 0.00 0.00 41.25 38.97 1rk4 s ASN 23 CO 0.00 -0.52 1.74 0.00 -1.51 0.00 0.00 177.10 176.81 1rk4 n PRO 25 N 5.34 0.13 -2.37 0.00 -0.04 -1.26 -4.17 135.00 132.63 1rk4 n PRO 25 Ca 0.22 0.20 -0.41 0.00 -0.04 0.00 0.00 63.50 63.46 1rk4 n PRO 25 Cb 0.25 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1rk4 n PRO 25 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1rk4 n PHE 26 N -1.92 2.65 -4.67 0.54 3.72 -1.26 -4.53 117.46 111.99 1rk4 n PHE 26 Ca 0.05 -2.72 -0.30 0.00 -0.05 0.00 0.00 57.45 54.43 1rk4 n PHE 26 Cb 0.32 -1.66 -0.09 0.00 -0.94 0.00 0.00 39.48 37.11 1rk4 n PHE 26 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1rk4 s SER 27 N -0.15 3.89 0.26 4.37 1.04 -1.26 -4.94 113.70 116.91 1rk4 s SER 27 Ca 0.44 -1.50 -0.01 0.00 0.48 0.00 0.00 55.95 55.36 1rk4 s SER 27 Cb 0.14 0.03 0.55 0.00 0.10 0.00 0.00 66.02 66.83 1rk4 s SER 27 CO -0.04 -0.64 1.75 -0.61 0.98 0.00 0.00 173.24 174.68 1rk4 h GLN 28 N 1.61 0.57 -0.34 4.02 4.15 -1.90 0.44 115.11 123.66 1rk4 h GLN 28 Ca -0.44 -0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.02 1rk4 h GLN 28 Cb 1.27 -0.13 -0.08 0.00 0.21 0.00 0.00 27.48 28.75 1rk4 h GLN 28 CO 0.77 0.37 -0.25 -0.09 -1.93 0.00 0.00 178.83 177.71 1rk4 h ARG 29 N 0.58 -0.20 -0.66 1.69 2.43 -1.94 0.12 114.38 116.40 1rk4 h ARG 29 Ca 0.47 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.62 1rk4 h ARG 29 Cb 0.69 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.26 1rk4 h ARG 29 CO -0.38 -0.13 0.29 1.25 -1.51 0.00 0.00 179.97 179.48 1rk4 h LEU 30 N -0.21 0.90 -0.76 3.80 5.85 -1.43 -2.07 115.31 121.39 1rk4 h LEU 30 Ca 0.17 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1rk4 h LEU 30 Cb 0.47 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1rk4 h LEU 30 CO -0.46 0.81 0.28 -0.26 -0.34 0.00 0.00 178.44 178.47 1rk4 h PHE 31 N 0.93 1.17 -0.54 1.25 0.04 -0.33 -0.77 116.94 118.69 1rk4 h PHE 31 Ca 0.22 -0.10 0.03 0.00 2.80 0.00 0.00 57.97 60.93 1rk4 h PHE 31 Cb 0.17 -0.35 -0.04 0.00 2.20 0.00 0.00 35.95 37.93 1rk4 h PHE 31 CO 0.01 0.90 0.31 0.52 -0.60 0.00 0.00 178.31 179.45 1rk4 h MET 32 N 1.10 0.59 -0.19 1.51 2.86 -0.49 -0.47 114.93 119.84 1rk4 h MET 32 Ca 0.25 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.87 1rk4 h MET 32 Cb 0.24 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1rk4 h MET 32 CO -0.02 0.39 0.07 0.28 1.06 0.00 0.00 176.91 178.70 1rk4 h VAL 33 N 0.61 0.97 -0.09 -2.22 2.07 -0.78 0.06 116.25 116.86 1rk4 h VAL 33 Ca 0.23 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.72 1rk4 h VAL 33 Cb 0.07 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 1rk4 h VAL 33 CO -0.12 0.03 -0.13 -0.07 0.02 0.00 0.00 177.57 177.30 1rk4 h LEU 34 N 0.17 -0.40 -1.11 2.57 3.38 -0.82 -1.53 115.31 117.57 1rk4 h LEU 34 Ca 0.08 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1rk4 h LEU 34 Cb 0.04 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1rk4 h LEU 34 CO -0.08 -0.17 0.09 -0.50 0.09 0.00 0.00 178.44 177.87 1rk4 h TRP 35 N -0.17 0.74 0.00 1.13 4.06 -0.80 -0.07 115.95 120.84 1rk4 h TRP 35 Ca 0.08 -0.07 -0.04 0.00 2.06 0.00 0.00 58.89 60.92 1rk4 h TRP 35 Cb 0.28 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.22 1rk4 h TRP 35 CO -0.23 0.64 -0.18 -0.07 -3.56 0.00 0.00 178.44 175.05 1rk4 h LEU 36 N 0.69 0.00 -0.10 -4.49 3.38 -0.62 -0.85 115.31 113.32 1rk4 h LEU 36 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1rk4 h LEU 36 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1rk4 h LEU 36 CO 0.00 0.18 -0.08 0.29 0.09 0.00 0.00 178.44 178.92 1rk4 n LYS 37 N -3.42 0.47 -0.44 1.13 4.76 -0.61 -4.79 118.16 115.27 1rk4 n LYS 37 Ca -0.00 -0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 1rk4 n LYS 37 Cb 0.36 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 1rk4 n LYS 37 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1rk4 n GLY 38 N 1.32 0.78 3.34 0.72 0.00 -0.32 -4.78 105.19 106.24 1rk4 n GLY 38 Ca 0.13 -0.01 -0.46 0.00 0.00 0.00 0.00 46.02 45.68 1rk4 n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rk4 s VAL 39 N -2.00 5.43 0.53 1.61 1.01 -0.09 -4.98 120.40 121.91 1rk4 s VAL 39 Ca 0.00 -2.15 0.08 0.00 0.00 0.00 0.00 61.98 59.91 1rk4 s VAL 39 Cb 0.00 -4.47 0.05 0.00 0.00 0.00 0.00 36.38 31.96 1rk4 s VAL 39 CO 0.00 -1.04 0.58 0.42 0.00 0.00 0.00 175.10 175.06 1rk4 s THR 40 N 0.75 2.11 0.09 3.92 -4.23 -1.26 -2.86 115.64 114.15 1rk4 s THR 40 Ca 0.16 -1.22 0.01 0.00 -1.18 0.00 0.00 61.69 59.46 1rk4 s THR 40 Cb -0.14 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.33 1rk4 s THR 40 CO -0.06 0.00 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.61 1rk4 s PHE 41 N -2.65 0.84 0.27 3.99 0.40 -1.26 -5.05 117.98 114.51 1rk4 s PHE 41 Ca 0.50 -0.95 -0.29 0.00 -0.60 0.00 0.00 56.93 55.58 1rk4 s PHE 41 Cb -0.04 -0.50 -0.09 0.00 0.51 0.00 0.00 43.02 42.89 1rk4 s PHE 41 CO 0.31 -0.20 1.00 -0.80 0.70 0.00 0.00 175.22 176.23 1rk4 s ASN 42 N -3.03 7.46 -0.51 1.36 0.01 -1.26 -4.99 114.94 113.98 1rk4 s ASN 42 Ca 0.12 2.06 0.03 0.00 -0.71 0.00 0.00 52.86 54.37 1rk4 s ASN 42 Cb 0.06 -2.61 0.14 0.00 0.41 0.00 0.00 41.25 39.25 1rk4 s ASN 42 CO -0.05 0.01 0.30 -0.69 -1.51 0.00 0.00 177.10 175.16 1rk4 s VAL 43 N -1.22 1.97 0.32 1.60 1.01 -1.26 -4.62 120.40 118.21 1rk4 s VAL 43 Ca 0.43 -3.12 0.08 0.00 0.00 0.00 0.00 61.98 59.37 1rk4 s VAL 43 Cb -0.28 -2.36 -0.06 0.00 0.00 0.00 0.00 36.38 33.68 1rk4 s VAL 43 CO 0.35 -0.91 -0.06 0.42 0.00 0.00 0.00 175.10 174.90 1rk4 s THR 44 N -0.20 1.91 0.38 3.92 -4.23 -1.26 -4.99 115.64 111.16 1rk4 s THR 44 Ca 0.20 -2.14 0.06 0.00 -1.18 0.00 0.00 61.69 58.63 1rk4 s THR 44 Cb -0.19 -2.60 0.20 0.00 1.34 0.00 0.00 72.50 71.25 1rk4 s THR 44 CO -0.04 -0.21 1.96 0.71 -0.54 0.00 0.00 174.62 176.49 1rk4 h THR 45 N 2.11 1.15 -0.27 3.99 1.35 -1.99 0.24 112.91 119.50 1rk4 h THR 45 Ca -0.41 -0.54 -0.07 0.00 -0.55 0.00 0.00 66.41 64.84 1rk4 h THR 45 Cb 1.24 0.82 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 1rk4 h THR 45 CO 0.70 0.19 -0.11 0.58 -0.25 0.00 0.00 175.52 176.63 1rk4 h VAL 46 N 0.47 1.29 -0.67 6.82 2.07 -1.99 -1.18 116.25 123.06 1rk4 h VAL 46 Ca 0.11 -1.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.39 1rk4 h VAL 46 Cb 0.18 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1rk4 h VAL 46 CO -0.00 0.37 0.18 0.44 0.02 0.00 0.00 177.57 178.57 1rk4 h ASP 47 N 0.28 1.01 -0.77 0.57 3.32 -1.65 -1.70 116.42 117.48 1rk4 h ASP 47 Ca 0.06 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.85 1rk4 h ASP 47 Cb 0.61 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 1rk4 h ASP 47 CO 0.04 0.98 0.37 0.74 -1.72 0.00 0.00 179.24 179.64 1rk4 h THR 48 N 1.00 1.25 -0.50 0.35 2.02 -0.97 -1.65 112.91 114.41 1rk4 h THR 48 Ca 0.21 -0.70 -0.04 0.00 0.77 0.00 0.00 66.41 66.65 1rk4 h THR 48 Cb 0.35 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1rk4 h THR 48 CO 0.00 0.29 0.15 0.11 0.37 0.00 0.00 175.52 176.44 1rk4 h LYS 49 N 1.09 0.78 -0.52 6.66 1.57 -0.92 -0.51 116.57 124.73 1rk4 h LYS 49 Ca 0.26 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1rk4 h LYS 49 Cb 0.13 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1rk4 h LYS 49 CO -0.03 0.74 0.27 0.00 -0.57 0.00 0.00 179.45 179.86 1rk4 h ARG 50 N 0.68 0.73 -0.54 3.15 3.08 -0.98 -0.93 114.38 119.57 1rk4 h ARG 50 Ca 0.16 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1rk4 h ARG 50 Cb 0.29 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 1rk4 h ARG 50 CO -0.00 0.58 0.33 -0.09 -1.07 0.00 0.00 179.97 179.72 1rk4 h ARG 51 N 0.69 0.73 -0.89 0.04 2.43 -1.01 -0.17 114.38 116.19 1rk4 h ARG 51 Ca 0.18 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1rk4 h ARG 51 Cb 0.07 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.42 1rk4 h ARG 51 CO -0.03 0.52 0.58 1.15 -1.51 0.00 0.00 179.97 180.68 1rk4 h THR 52 N 0.72 1.15 -0.44 0.20 2.02 -0.76 -1.00 112.91 114.81 1rk4 h THR 52 Ca 0.19 -0.39 -0.05 0.00 0.77 0.00 0.00 66.41 66.94 1rk4 h THR 52 Cb -0.03 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.29 1rk4 h THR 52 CO -0.04 0.21 0.09 -0.33 0.37 0.00 0.00 175.52 175.82 1rk4 h GLU 53 N 1.13 0.72 -0.62 6.66 5.08 -0.75 -1.48 114.58 125.31 1rk4 h GLU 53 Ca 0.35 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 1rk4 h GLU 53 Cb -0.01 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1rk4 h GLU 53 CO -0.11 0.73 0.39 1.15 -1.00 0.00 0.00 179.01 180.17 1rk4 h THR 54 N 0.59 1.10 -0.09 1.13 2.02 -0.39 -2.28 112.91 115.00 1rk4 h THR 54 Ca 0.14 -0.27 -0.10 0.00 0.77 0.00 0.00 66.41 66.95 1rk4 h THR 54 Cb 0.35 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1rk4 h THR 54 CO 0.00 0.14 -0.40 0.58 0.37 0.00 0.00 175.52 176.22 1rk4 h VAL 55 N 0.78 1.30 -0.73 3.16 2.07 -1.03 -1.40 116.25 120.40 1rk4 h VAL 55 Ca 0.24 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 1rk4 h VAL 55 Cb -0.01 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1rk4 h VAL 55 CO -0.09 0.43 0.41 1.56 0.02 0.00 0.00 177.57 179.90 1rk4 h GLN 56 N 0.16 1.02 -0.40 1.57 4.20 -0.84 0.21 115.11 121.02 1rk4 h GLN 56 Ca 0.01 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 1rk4 h GLN 56 Cb 0.78 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1rk4 h GLN 56 CO 0.06 0.75 0.11 -0.22 -0.67 0.00 0.00 178.83 178.86 1rk4 h LYS 57 N 1.01 0.64 0.00 1.46 3.64 -1.04 -1.65 116.57 120.63 1rk4 h LYS 57 Ca 0.26 -0.15 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 1rk4 h LYS 57 Cb 0.03 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1rk4 h LYS 57 CO -0.04 0.65 -0.39 -0.07 -2.27 0.00 0.00 179.45 177.33 1rk4 h LEU 58 N 0.51 0.00 -5.96 5.20 3.38 -0.85 -3.35 115.31 114.25 1rk4 h LEU 58 Ca 0.13 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.56 1rk4 h LEU 58 Cb 0.29 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.64 1rk4 h LEU 58 CO -0.00 0.39 -1.04 0.00 0.09 0.00 0.00 178.44 177.87 1rk4 h PRO 60 N 3.57 0.00 0.00 0.00 0.13 -1.44 -2.10 132.00 132.16 1rk4 h PRO 60 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1rk4 h PRO 60 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1rk4 h PRO 60 CO 0.55 0.07 0.00 0.78 -0.23 0.00 0.00 178.00 179.17 1rk4 h GLY 61 N 0.31 0.00 0.00 1.56 0.00 -1.92 -3.47 103.07 99.54 1rk4 h GLY 61 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1rk4 h GLY 61 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 1rk4 n GLY 62 N -0.40 4.52 0.03 4.60 0.00 -0.79 -5.08 105.19 108.07 1rk4 n GLY 62 Ca -0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 46.02 44.78 1rk4 n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rk4 n GLN 63 N -1.88 2.39 -2.69 1.61 3.00 -1.26 -4.41 117.38 114.14 1rk4 n GLN 63 Ca 0.00 0.01 -0.27 0.00 -0.01 0.00 0.00 57.00 56.73 1rk4 n GLN 63 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 30.24 29.07 1rk4 n GLN 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1rk4 s LEU 64 N -4.69 3.61 0.33 1.08 1.43 -1.26 -4.57 118.68 114.62 1rk4 s LEU 64 Ca -0.05 0.83 -0.29 0.00 -1.03 0.00 0.00 54.13 53.59 1rk4 s LEU 64 Cb 0.02 -3.75 -0.11 0.00 0.03 0.00 0.00 46.19 42.38 1rk4 s LEU 64 CO 0.26 -0.62 1.44 -2.84 0.23 0.00 0.00 176.35 174.82 1rk4 s PRO 65 N -4.73 4.21 0.47 1.29 0.02 -1.26 -4.78 135.00 130.23 1rk4 s PRO 65 Ca 0.48 2.42 -0.22 0.00 0.02 0.00 0.00 61.00 63.70 1rk4 s PRO 65 Cb -0.10 -3.03 -0.08 0.00 0.02 0.00 0.00 34.50 31.31 1rk4 s PRO 65 CO 0.44 -0.42 1.11 -0.06 -0.33 0.00 0.00 177.00 177.73 1rk4 s PHE 66 N -0.79 2.94 0.43 6.54 0.08 -1.26 -5.01 117.98 120.91 1rk4 s PHE 66 Ca 0.54 1.57 -0.26 0.00 0.12 0.00 0.00 56.93 58.90 1rk4 s PHE 66 Cb -0.44 -3.25 -0.08 0.00 -0.57 0.00 0.00 43.02 38.68 1rk4 s PHE 66 CO 0.55 -1.20 1.35 -0.51 -0.10 0.00 0.00 175.22 175.30 1rk4 s LEU 67 N -3.20 4.16 0.44 -0.37 1.43 -1.26 -5.00 118.68 114.88 1rk4 s LEU 67 Ca 0.65 2.75 -0.13 0.00 -1.03 0.00 0.00 54.13 56.37 1rk4 s LEU 67 Cb -0.24 -3.93 -0.07 0.00 0.03 0.00 0.00 46.19 41.98 1rk4 s LEU 67 CO 0.29 -0.99 0.84 -0.76 0.23 0.00 0.00 176.35 175.96 1rk4 s LEU 68 N -2.58 3.78 0.56 1.79 1.02 -1.26 -5.09 118.68 116.90 1rk4 s LEU 68 Ca 0.59 1.30 -0.08 0.00 0.02 0.00 0.00 54.13 55.96 1rk4 s LEU 68 Cb -0.40 -4.20 -0.04 0.00 0.02 0.00 0.00 46.19 41.57 1rk4 s LEU 68 CO 0.51 -0.45 0.92 -0.31 0.02 0.00 0.00 176.35 177.04 1rk4 s TYR 69 N -2.43 3.60 0.27 0.29 2.02 -1.26 -4.73 117.35 115.11 1rk4 s TYR 69 Ca 0.54 1.07 -0.01 0.00 -0.37 0.00 0.00 57.07 58.30 1rk4 s TYR 69 Cb -0.10 -2.53 0.48 0.00 -0.40 0.00 0.00 41.96 39.41 1rk4 s TYR 69 CO 0.30 -0.50 1.83 0.78 -1.57 0.00 0.00 175.55 176.39 1rk4 h GLY 70 N -0.07 1.50 -0.50 0.71 0.00 -1.98 -1.85 103.07 100.88 1rk4 h GLY 70 Ca -0.45 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1rk4 h GLY 70 CO 0.62 0.17 0.00 -1.30 0.00 0.00 0.00 176.54 176.03 1rk4 n THR 71 N -4.65 0.12 -2.51 4.70 -2.24 -1.26 -4.94 114.28 103.50 1rk4 n THR 71 Ca 0.17 -0.27 -0.41 0.00 -2.27 0.00 0.00 64.05 61.27 1rk4 n THR 71 Cb 0.31 0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 68.80 1rk4 n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1rk4 s GLU 72 N -1.88 4.62 0.73 -0.78 2.12 -0.70 -5.03 118.70 117.78 1rk4 s GLU 72 Ca 0.34 1.74 -0.11 0.00 0.36 0.00 0.00 54.97 57.30 1rk4 s GLU 72 Cb 0.18 -3.25 0.03 0.00 0.26 0.00 0.00 34.13 31.35 1rk4 s GLU 72 CO 0.28 0.13 1.07 0.14 -0.54 0.00 0.00 175.26 176.35 1rk4 s VAL 73 N -0.53 3.71 -2.19 3.70 -7.23 -1.26 -4.93 120.40 111.66 1rk4 s VAL 73 Ca 0.48 0.56 0.19 0.00 -1.81 0.00 0.00 61.98 61.39 1rk4 s VAL 73 Cb -0.30 -3.24 0.44 0.00 0.56 0.00 0.00 36.38 33.83 1rk4 s VAL 73 CO 0.36 -0.73 1.52 1.41 -0.31 0.00 0.00 175.10 177.36 1rk4 n HIS 74 N -3.27 0.20 -1.91 2.82 -0.00 -1.26 -4.91 115.22 106.88 1rk4 n HIS 74 Ca 0.08 -0.10 -0.41 0.00 -0.00 0.00 0.00 57.72 57.29 1rk4 n HIS 74 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.52 1rk4 n HIS 74 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1rk4 s THR 75 N -1.80 2.29 -0.41 1.59 2.01 -1.26 -4.97 115.64 113.10 1rk4 s THR 75 Ca 0.30 0.29 0.04 0.00 0.31 0.00 0.00 61.69 62.63 1rk4 s THR 75 Cb 0.16 -3.18 0.17 0.00 0.01 0.00 0.00 72.50 69.65 1rk4 s THR 75 CO 0.24 0.07 0.44 -0.62 -0.69 0.00 0.00 174.62 174.05 1rk4 s ASP 76 N -0.28 0.66 -0.12 3.53 2.15 -1.26 -5.09 116.67 116.25 1rk4 s ASP 76 Ca 0.52 -1.91 -0.27 0.00 0.43 0.00 0.00 52.55 51.32 1rk4 s ASP 76 Cb -0.44 0.63 -0.02 0.00 -0.30 0.00 0.00 42.92 42.80 1rk4 s ASP 76 CO 0.59 -0.20 0.90 -0.89 -0.17 0.00 0.00 175.17 175.40 1rk4 s THR 77 N 1.05 4.86 -0.41 1.71 2.01 -1.26 -5.00 115.64 118.60 1rk4 s THR 77 Ca 0.23 1.80 -0.03 0.00 0.31 0.00 0.00 61.69 64.00 1rk4 s THR 77 Cb -0.08 -4.21 0.11 0.00 0.01 0.00 0.00 72.50 68.33 1rk4 s THR 77 CO -0.07 0.05 0.20 0.21 -0.69 0.00 0.00 174.62 174.33 1rk4 s ASN 78 N 1.08 5.26 0.46 3.53 3.84 -1.26 -4.90 114.94 122.96 1rk4 s ASN 78 Ca 0.43 -2.01 0.15 0.00 0.21 0.00 0.00 52.86 51.63 1rk4 s ASN 78 Cb -0.18 -1.83 1.06 0.00 -0.55 0.00 0.00 41.25 39.75 1rk4 s ASN 78 CO 0.16 -0.54 2.03 0.11 -2.79 0.00 0.00 177.10 176.07 1rk4 h LYS 79 N 8.06 0.00 -0.24 0.43 1.57 -1.96 -2.21 116.57 122.22 1rk4 h LYS 79 Ca -0.13 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.45 1rk4 h LYS 79 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1rk4 h LYS 79 CO 0.70 0.14 -0.64 0.82 -0.57 0.00 0.00 179.45 179.90 1rk4 h ILE 80 N 0.00 1.27 -0.33 1.86 2.04 -1.94 -0.61 117.51 119.81 1rk4 h ILE 80 Ca -0.00 -1.82 0.05 0.00 1.00 0.00 0.00 64.86 64.08 1rk4 h ILE 80 Cb 0.25 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 1rk4 h ILE 80 CO 0.02 0.59 0.08 -0.08 0.00 0.00 0.00 178.15 178.75 1rk4 h GLU 81 N 0.63 0.19 -0.80 2.37 4.81 -1.85 0.19 114.58 120.11 1rk4 h GLU 81 Ca -0.01 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1rk4 h GLU 81 Cb 1.26 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.56 1rk4 h GLU 81 CO 0.14 0.13 0.32 0.93 -0.73 0.00 0.00 179.01 179.80 1rk4 h GLU 82 N 0.20 1.19 -0.17 1.92 5.08 -1.11 -1.54 114.58 120.15 1rk4 h GLU 82 Ca 0.15 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1rk4 h GLU 82 Cb 0.16 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1rk4 h GLU 82 CO -0.19 0.96 0.09 0.35 -1.00 0.00 0.00 179.01 179.21 1rk4 h PHE 83 N 1.16 0.23 -0.61 4.33 3.57 -0.76 -2.49 116.94 122.37 1rk4 h PHE 83 Ca 0.27 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 1rk4 h PHE 83 Cb 0.21 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1rk4 h PHE 83 CO 0.02 0.23 0.26 -0.07 -2.23 0.00 0.00 178.31 176.52 1rk4 h LEU 84 N 0.16 0.80 -0.84 0.59 3.38 -0.61 -1.31 115.31 117.49 1rk4 h LEU 84 Ca 0.06 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1rk4 h LEU 84 Cb 0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1rk4 h LEU 84 CO -0.01 0.71 -0.08 -0.08 0.09 0.00 0.00 178.44 179.07 1rk4 h GLU 85 N 0.87 0.79 -0.24 1.13 4.57 -1.20 0.19 114.58 120.69 1rk4 h GLU 85 Ca 0.21 -0.25 -0.15 0.00 -1.18 0.00 0.00 59.36 58.00 1rk4 h GLU 85 Cb 0.15 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1rk4 h GLU 85 CO -0.02 0.84 -0.43 0.00 -1.18 0.00 0.00 179.01 178.23 1rk4 h ALA 86 N 1.19 0.37 0.06 2.92 0.00 -0.94 -3.38 119.26 119.49 1rk4 h ALA 86 Ca 0.13 -0.46 -0.35 0.00 0.00 0.00 0.00 54.91 54.22 1rk4 h ALA 86 Cb 0.55 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1rk4 h ALA 86 CO 0.03 0.50 -2.05 1.33 0.00 0.00 0.00 179.25 179.05 1rk4 n VAL 87 N -4.18 1.65 -2.92 0.00 0.24 -0.55 -4.43 118.33 108.14 1rk4 n VAL 87 Ca -0.05 -0.70 -0.44 0.00 -2.04 0.00 0.00 64.34 61.12 1rk4 n VAL 87 Cb 0.55 -1.38 0.00 0.00 -1.47 0.00 0.00 33.84 31.55 1rk4 n VAL 87 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1rk4 n LEU 88 N -3.26 5.78 -4.48 1.34 4.77 0.64 -4.95 117.00 116.84 1rk4 n LEU 88 Ca -0.31 -4.75 -0.23 0.00 -0.03 0.00 0.00 56.01 50.69 1rk4 n LEU 88 Cb 1.05 -1.51 -0.10 0.00 -2.33 0.00 0.00 43.42 40.53 1rk4 n LEU 88 CO 0.40 1.16 -0.27 0.00 -1.33 0.00 0.00 177.39 177.36 1rk4 s PRO 90 N -3.86 2.59 0.22 0.00 0.02 -0.66 -1.96 135.00 131.35 1rk4 s PRO 90 Ca 0.35 2.08 0.25 0.00 0.02 0.00 0.00 61.00 63.70 1rk4 s PRO 90 Cb 0.08 -1.87 0.61 0.00 0.02 0.00 0.00 34.50 33.34 1rk4 s PRO 90 CO 0.15 -1.57 1.62 -1.00 -0.33 0.00 0.00 177.00 175.87 1rk4 h PRO 91 N 0.61 0.00 0.00 5.54 0.13 -2.00 -3.45 132.00 132.83 1rk4 h PRO 91 Ca -0.51 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.55 1rk4 h PRO 91 Cb 1.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1rk4 h PRO 91 CO 0.53 0.00 -0.34 -0.09 -0.23 0.00 0.00 178.00 177.87 1rk4 h ARG 92 N 0.00 0.00 -4.83 0.86 2.43 -1.93 -3.45 114.38 107.46 1rk4 h ARG 92 Ca 0.00 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.90 1rk4 h ARG 92 Cb 0.79 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.19 1rk4 h ARG 92 CO 0.00 0.34 -0.71 0.71 -1.51 0.00 0.00 179.97 178.80 1rk4 s TYR 93 N -4.20 1.04 0.29 2.20 1.51 -0.83 -4.99 117.35 112.37 1rk4 s TYR 93 Ca -0.03 -0.82 -0.29 0.00 -1.01 0.00 0.00 57.07 54.92 1rk4 s TYR 93 Cb 0.14 -0.57 -0.09 0.00 -0.11 0.00 0.00 41.96 41.33 1rk4 s TYR 93 CO 0.71 -0.05 1.01 -1.25 -1.11 0.00 0.00 175.55 174.87 1rk4 s PRO 94 N -3.66 4.66 0.24 -1.71 0.04 -1.26 -1.65 135.00 131.66 1rk4 s PRO 94 Ca 0.13 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 62.46 1rk4 s PRO 94 Cb 0.03 -3.09 -0.09 0.00 0.04 0.00 0.00 34.50 31.39 1rk4 s PRO 94 CO -0.02 0.29 1.26 0.21 0.04 0.00 0.00 177.00 178.78 1rk4 s LYS 95 N -1.56 4.44 -0.01 4.56 2.20 -1.26 -4.78 119.74 123.34 1rk4 s LYS 95 Ca 0.46 2.03 0.10 0.00 -0.36 0.00 0.00 55.97 58.19 1rk4 s LYS 95 Cb -0.27 -3.17 -0.13 0.00 -1.51 0.00 0.00 37.83 32.76 1rk4 s LYS 95 CO 0.34 -0.14 0.34 1.28 -0.36 0.00 0.00 175.35 176.81 1rk4 n LEU 96 N 1.95 0.28 -4.76 5.43 4.77 -1.26 -5.01 117.00 118.40 1rk4 n LEU 96 Ca 0.03 -0.30 -0.41 0.00 -0.03 0.00 0.00 56.01 55.30 1rk4 n LEU 96 Cb 0.43 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.51 1rk4 n LEU 96 CO 0.57 0.07 1.19 0.00 -1.33 0.00 0.00 177.39 177.89 1rk4 s ALA 97 N -2.22 3.67 0.69 -1.18 0.00 -1.26 -0.95 121.76 120.51 1rk4 s ALA 97 Ca 0.01 1.55 -0.17 0.00 0.00 0.00 0.00 51.96 53.36 1rk4 s ALA 97 Cb 0.07 -3.63 0.01 0.00 0.00 0.00 0.00 23.12 19.58 1rk4 s ALA 97 CO 0.41 -0.99 1.27 0.00 0.00 0.00 0.00 175.76 176.44 1rk4 s ALA 98 N -0.44 2.23 -0.05 0.00 0.00 -1.26 -4.87 121.76 117.36 1rk4 s ALA 98 Ca 0.59 1.12 0.06 0.00 0.00 0.00 0.00 51.96 53.73 1rk4 s ALA 98 Cb -0.47 -3.54 -0.24 0.00 0.00 0.00 0.00 23.12 18.87 1rk4 s ALA 98 CO 0.53 -1.79 0.63 -0.07 0.00 0.00 0.00 175.76 175.06 1rk4 h LEU 99 N 0.15 0.13 -8.95 0.00 3.38 -1.93 -3.45 115.31 104.64 1rk4 h LEU 99 Ca -0.50 -0.28 -0.63 0.00 0.09 0.00 0.00 57.88 56.56 1rk4 h LEU 99 Cb 1.33 -0.04 -0.16 0.00 0.09 0.00 0.00 40.66 41.87 1rk4 h LEU 99 CO 0.51 1.25 -0.46 0.20 0.09 0.00 0.00 178.44 180.03 1rk4 s ASN 100 N -6.41 6.09 0.47 -0.43 0.01 -1.26 -4.97 114.94 108.43 1rk4 s ASN 100 Ca -0.09 0.09 0.16 0.00 -0.71 0.00 0.00 52.86 52.30 1rk4 s ASN 100 Cb 0.08 -2.14 1.13 0.00 0.41 0.00 0.00 41.25 40.73 1rk4 s ASN 100 CO 0.81 -0.05 2.03 -0.65 -1.51 0.00 0.00 177.10 177.73 1rk4 h PRO 101 N 8.12 0.26 0.00 -0.60 0.11 -2.03 -1.24 132.00 136.62 1rk4 h PRO 101 Ca -0.35 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 1rk4 h PRO 101 Cb 1.18 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1rk4 h PRO 101 CO 0.59 0.17 -0.02 0.93 -0.21 0.00 0.00 178.00 179.47 1rk4 h GLU 102 N 0.27 0.00 -0.40 1.05 3.07 -2.00 -1.13 114.58 115.43 1rk4 h GLU 102 Ca 0.20 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 59.11 1rk4 h GLU 102 Cb 0.44 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.33 1rk4 h GLU 102 CO -0.04 0.02 0.27 0.77 -1.40 0.00 0.00 179.01 178.63 1rk4 h SER 103 N 0.00 0.30 0.68 1.42 0.02 -1.55 -1.49 113.55 112.92 1rk4 h SER 103 Ca -0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rk4 h SER 103 Cb 0.04 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1rk4 h SER 103 CO 0.00 0.20 -0.12 0.59 -1.14 0.00 0.00 176.83 176.36 1rk4 n ASN 104 N -4.48 0.21 0.00 3.07 3.02 -0.43 -3.52 115.26 113.14 1rk4 n ASN 104 Ca 0.05 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1rk4 n ASN 104 Cb 0.22 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1rk4 n ASN 104 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1rk4 n THR 105 N -1.33 0.00 -1.87 3.41 -2.24 -0.98 -4.92 114.28 106.36 1rk4 n THR 105 Ca 0.10 -0.49 -0.42 0.00 -2.27 0.00 0.00 64.05 60.96 1rk4 n THR 105 Cb 0.31 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.51 1rk4 n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rk4 s ALA 106 N -0.70 3.79 0.00 6.98 0.00 -0.60 -2.27 121.76 128.96 1rk4 s ALA 106 Ca 0.00 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1rk4 s ALA 106 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1rk4 s ALA 106 CO 0.00 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.24 1rk4 n GLY 107 N 3.91 0.35 0.23 0.00 0.00 -1.26 -4.87 105.19 103.56 1rk4 n GLY 107 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 1rk4 n GLY 107 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rk4 h LEU 108 N 0.00 0.00 -0.37 0.99 3.38 -1.81 -2.03 115.31 115.48 1rk4 h LEU 108 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rk4 h LEU 108 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1rk4 h LEU 108 CO 0.00 0.21 -0.07 -0.90 0.09 0.00 0.00 178.44 177.77 1rk4 n ASP 109 N -3.71 0.64 -0.21 -0.43 5.75 -1.26 -4.13 116.55 113.20 1rk4 n ASP 109 Ca -0.01 -0.90 -0.09 0.00 -0.01 0.00 0.00 54.79 53.78 1rk4 n ASP 109 Cb 0.32 -0.03 0.04 0.00 -1.03 0.00 0.00 41.12 40.42 1rk4 n ASP 109 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1rk4 h ILE 110 N 0.89 1.26 -0.01 2.12 2.04 -1.71 -0.97 117.51 121.13 1rk4 h ILE 110 Ca 0.00 -1.13 -0.09 0.00 1.00 0.00 0.00 64.86 64.63 1rk4 h ILE 110 Cb 0.32 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1rk4 h ILE 110 CO 0.00 0.41 -0.44 0.15 0.00 0.00 0.00 178.15 178.28 1rk4 h PHE 111 N 0.98 0.04 -0.10 1.37 3.57 -1.77 -0.67 116.94 120.36 1rk4 h PHE 111 Ca 0.18 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 1rk4 h PHE 111 Cb 0.54 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1rk4 h PHE 111 CO 0.04 0.47 -0.35 0.00 -2.23 0.00 0.00 178.31 176.23 1rk4 h ALA 112 N 1.53 0.17 -0.60 2.41 0.00 -1.65 0.34 119.26 121.46 1rk4 h ALA 112 Ca -0.00 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.51 1rk4 h ALA 112 Cb 0.79 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1rk4 h ALA 112 CO 0.06 0.24 0.34 0.87 0.00 0.00 0.00 179.25 180.76 1rk4 h LYS 113 N -0.04 0.64 -0.38 0.00 1.79 -0.94 -2.26 116.57 115.37 1rk4 h LYS 113 Ca -0.02 -0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.48 1rk4 h LYS 113 Cb 0.98 -0.14 -0.06 0.00 -1.58 0.00 0.00 32.23 31.43 1rk4 h LYS 113 CO 0.07 0.42 0.05 0.35 -1.08 0.00 0.00 179.45 179.26 1rk4 h PHE 114 N 0.66 0.07 -0.32 -1.35 3.57 -1.10 -1.73 116.94 116.75 1rk4 h PHE 114 Ca 0.26 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.83 1rk4 h PHE 114 Cb 0.11 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 1rk4 h PHE 114 CO -0.07 -0.02 0.04 0.77 -2.23 0.00 0.00 178.31 176.80 1rk4 h SER 115 N 0.17 -0.05 -0.43 0.41 0.02 -0.50 0.72 113.55 113.89 1rk4 h SER 115 Ca 0.19 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.22 1rk4 h SER 115 Cb 0.24 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 1rk4 h SER 115 CO -0.27 0.01 0.24 0.00 -1.14 0.00 0.00 176.83 175.67 1rk4 h ALA 116 N 1.25 0.54 -0.25 3.77 0.00 -1.28 -1.93 119.26 121.37 1rk4 h ALA 116 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1rk4 h ALA 116 Cb 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1rk4 h ALA 116 CO -0.22 -0.10 0.11 -0.92 0.00 0.00 0.00 179.25 178.12 1rk4 h TYR 117 N 0.48 0.37 0.00 0.00 3.20 -0.91 -2.82 116.97 117.29 1rk4 h TYR 117 Ca 0.18 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 1rk4 h TYR 117 Cb 0.04 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1rk4 h TYR 117 CO -0.08 0.37 -0.37 0.97 -1.64 0.00 0.00 178.16 177.41 1rk4 h ILE 118 N 0.26 0.58 0.01 1.81 6.09 -0.81 -3.29 117.51 122.15 1rk4 h ILE 118 Ca 0.08 -1.82 -0.20 0.00 -1.37 0.00 0.00 64.86 61.55 1rk4 h ILE 118 Cb 0.15 2.27 -0.03 0.00 0.47 0.00 0.00 36.82 39.69 1rk4 h ILE 118 CO -0.01 0.33 -0.94 0.11 -3.07 0.00 0.00 178.15 174.57 1rk4 h LYS 119 N 0.00 0.02 -6.73 2.19 1.57 -1.33 -3.46 116.57 108.84 1rk4 h LYS 119 Ca -0.01 -0.04 -0.53 0.00 -1.87 0.00 0.00 60.65 58.21 1rk4 h LYS 119 Cb 1.27 0.01 0.06 0.00 0.08 0.00 0.00 32.23 33.65 1rk4 h LYS 119 CO 0.04 0.95 0.84 1.21 -0.57 0.00 0.00 179.45 181.92 1rk4 s ASN 120 N -6.77 6.54 0.00 0.86 2.47 -1.07 -4.92 114.94 112.05 1rk4 s ASN 120 Ca 0.00 2.75 0.12 0.00 0.42 0.00 0.00 52.86 56.15 1rk4 s ASN 120 Cb 0.10 -2.62 -0.03 0.00 -1.45 0.00 0.00 41.25 37.26 1rk4 s ASN 120 CO 0.81 -0.80 0.66 -1.54 -3.72 0.00 0.00 177.10 172.51 1rk4 n SER 121 N 2.74 1.17 -4.49 -4.21 3.41 -1.26 -4.94 113.62 106.04 1rk4 n SER 121 Ca 0.09 -1.09 -0.43 0.00 -0.26 0.00 0.00 58.87 57.18 1rk4 n SER 121 Cb 0.39 0.58 -0.06 0.00 -0.26 0.00 0.00 64.21 64.86 1rk4 n SER 121 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1rk4 s ASN 122 N -1.64 6.28 0.56 4.04 3.84 -1.26 -4.93 114.94 121.83 1rk4 s ASN 122 Ca 0.09 -0.59 0.29 0.00 0.21 0.00 0.00 52.86 52.86 1rk4 s ASN 122 Cb 0.09 -2.33 1.46 0.00 -0.55 0.00 0.00 41.25 39.93 1rk4 s ASN 122 CO 0.33 -0.91 1.92 -0.65 -2.79 0.00 0.00 177.10 175.00 1rk4 h PRO 123 N 9.01 0.00 0.00 0.43 0.11 -2.02 -0.10 132.00 139.43 1rk4 h PRO 123 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1rk4 h PRO 123 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1rk4 h PRO 123 CO 0.96 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.75 1rk4 n ALA 124 N -2.55 1.87 0.85 -0.75 0.00 -1.26 -2.91 120.51 115.75 1rk4 n ALA 124 Ca 0.12 0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.67 1rk4 n ALA 124 Cb 0.76 -1.39 -0.08 0.00 0.00 0.00 0.00 19.45 18.74 1rk4 n ALA 124 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1rk4 n LEU 125 N -2.07 1.10 -0.17 0.00 4.32 -0.06 -4.66 117.00 115.46 1rk4 n LEU 125 Ca 0.04 -0.57 -0.09 0.00 -0.02 0.00 0.00 56.01 55.36 1rk4 n LEU 125 Cb 0.28 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.08 1rk4 n LEU 125 CO 0.22 0.25 0.85 -1.13 -1.22 0.00 0.00 177.39 176.36 1rk4 h ASN 126 N 0.55 0.79 -0.36 -1.43 -1.24 -1.53 -2.86 115.58 109.51 1rk4 h ASN 126 Ca 0.00 -0.27 -0.04 0.00 0.71 0.00 0.00 56.30 56.70 1rk4 h ASN 126 Cb 0.48 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.31 1rk4 h ASN 126 CO 0.00 0.86 0.06 0.44 -1.29 0.00 0.00 177.43 177.50 1rk4 h ASP 127 N 0.70 0.56 1.54 1.15 3.32 -1.83 -1.79 116.42 120.07 1rk4 h ASP 127 Ca 0.15 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 1rk4 h ASP 127 Cb 0.41 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1rk4 h ASP 127 CO 0.01 0.68 -0.31 0.78 -1.72 0.00 0.00 179.24 178.68 1rk4 h ASN 128 N 0.43 0.00 -0.05 6.45 2.35 -1.88 -1.67 115.58 121.21 1rk4 h ASN 128 Ca 0.11 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.72 1rk4 h ASN 128 Cb 0.35 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 1rk4 h ASN 128 CO 0.01 0.31 -0.41 -0.07 -1.65 0.00 0.00 177.43 175.61 1rk4 h LEU 129 N 0.00 0.62 -0.53 1.61 3.38 -1.48 -2.78 115.31 116.12 1rk4 h LEU 129 Ca -0.00 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.58 1rk4 h LEU 129 Cb 1.16 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1rk4 h LEU 129 CO 0.04 0.96 -0.11 -0.08 0.09 0.00 0.00 178.44 179.34 1rk4 h GLU 130 N 0.48 1.00 -0.93 1.13 4.81 -0.94 -2.18 114.58 117.95 1rk4 h GLU 130 Ca 0.04 -0.38 0.12 0.00 -0.13 0.00 0.00 59.36 59.02 1rk4 h GLU 130 Cb 0.92 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.17 1rk4 h GLU 130 CO 0.08 1.06 0.60 -0.22 -0.73 0.00 0.00 179.01 179.79 1rk4 h LYS 131 N 0.87 0.82 -0.46 1.92 3.64 -1.32 0.11 116.57 122.16 1rk4 h LYS 131 Ca 0.14 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.32 1rk4 h LYS 131 Cb 0.67 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1rk4 h LYS 131 CO 0.05 0.55 -0.27 0.78 -2.27 0.00 0.00 179.45 178.29 1rk4 h GLY 132 N 0.85 1.07 0.84 5.01 0.00 -1.16 -0.47 103.07 109.21 1rk4 h GLY 132 Ca 0.46 -1.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.75 1rk4 h GLY 132 CO -0.22 0.90 -0.04 -2.00 0.00 0.00 0.00 176.54 175.18 1rk4 h LEU 133 N 0.84 0.44 -1.12 3.11 5.85 -0.94 -1.56 115.31 121.92 1rk4 h LEU 133 Ca 0.10 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1rk4 h LEU 133 Cb 0.86 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 1rk4 h LEU 133 CO 0.08 0.69 0.48 -0.07 -0.34 0.00 0.00 178.44 179.27 1rk4 h LEU 134 N 0.19 0.95 -0.48 2.25 3.38 -0.68 -0.91 115.31 120.01 1rk4 h LEU 134 Ca 0.06 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1rk4 h LEU 134 Cb 0.49 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1rk4 h LEU 134 CO 0.02 0.73 0.05 0.50 0.09 0.00 0.00 178.44 179.84 1rk4 h LYS 135 N 1.09 0.81 -0.58 1.13 3.64 -0.89 0.10 116.57 121.88 1rk4 h LYS 135 Ca 0.29 -0.23 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 1rk4 h LYS 135 Cb -0.04 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 1rk4 h LYS 135 CO -0.05 0.83 0.11 0.00 -2.27 0.00 0.00 179.45 178.06 1rk4 h ALA 136 N 0.95 1.11 -0.59 5.00 0.00 -0.90 -1.15 119.26 123.69 1rk4 h ALA 136 Ca 0.14 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1rk4 h ALA 136 Cb 0.43 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1rk4 h ALA 136 CO 0.01 0.59 0.08 -0.07 0.00 0.00 0.00 179.25 179.87 1rk4 h LEU 137 N 0.87 0.92 -0.66 0.00 3.38 -0.74 -2.52 115.31 116.56 1rk4 h LEU 137 Ca 0.18 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1rk4 h LEU 137 Cb 0.36 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1rk4 h LEU 137 CO 0.00 0.93 -0.20 0.50 0.09 0.00 0.00 178.44 179.76 1rk4 h LYS 138 N 0.90 0.84 -0.86 1.13 1.63 -0.26 0.11 116.57 120.07 1rk4 h LYS 138 Ca 0.18 -0.33 0.02 0.00 -0.85 0.00 0.00 60.65 59.67 1rk4 h LYS 138 Cb 0.41 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.95 1rk4 h LYS 138 CO 0.01 0.96 0.56 0.28 -3.45 0.00 0.00 179.45 177.81 1rk4 h VAL 139 N 0.74 1.17 -0.46 2.00 2.07 -0.95 -0.50 116.25 120.32 1rk4 h VAL 139 Ca 0.10 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 1rk4 h VAL 139 Cb 0.72 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1rk4 h VAL 139 CO 0.06 0.20 0.18 0.25 0.02 0.00 0.00 177.57 178.27 1rk4 h LEU 140 N 1.11 0.65 -0.67 2.57 5.85 -1.21 -2.18 115.31 121.42 1rk4 h LEU 140 Ca 0.33 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.92 1rk4 h LEU 140 Cb -0.05 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 1rk4 h LEU 140 CO -0.10 0.65 0.39 -0.78 -0.34 0.00 0.00 178.44 178.27 1rk4 h ASP 141 N 0.61 0.62 -0.75 1.25 3.58 -0.04 -1.01 116.42 120.67 1rk4 h ASP 141 Ca 0.15 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.57 1rk4 h ASP 141 Cb 0.21 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.12 1rk4 h ASP 141 CO -0.01 0.41 0.27 0.78 -2.88 0.00 0.00 179.24 177.81 1rk4 h ASN 142 N 0.75 1.07 -0.80 2.28 2.35 -0.92 -0.76 115.58 119.56 1rk4 h ASN 142 Ca 0.29 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 1rk4 h ASN 142 Cb 0.11 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.17 1rk4 h ASN 142 CO -0.15 0.97 0.33 0.22 -1.65 0.00 0.00 177.43 177.16 1rk4 h TYR 143 N 1.12 1.20 0.00 1.19 3.20 -0.73 -0.91 116.97 122.04 1rk4 h TYR 143 Ca 0.25 -0.09 -0.12 0.00 3.14 0.00 0.00 58.73 61.91 1rk4 h TYR 143 Cb 0.26 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 1rk4 h TYR 143 CO 0.02 0.90 -0.57 -0.07 -1.64 0.00 0.00 178.16 176.80 1rk4 h LEU 144 N 1.15 0.00 0.00 2.82 3.38 -0.61 -3.23 115.31 118.82 1rk4 h LEU 144 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1rk4 h LEU 144 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1rk4 h LEU 144 CO -0.02 0.57 -0.87 0.35 0.09 0.00 0.00 178.44 178.56 1rk4 n THR 145 N -3.54 0.31 -3.07 0.22 -2.24 -0.35 -4.63 114.28 100.99 1rk4 n THR 145 Ca -0.00 -0.31 -0.40 0.00 -2.27 0.00 0.00 64.05 61.07 1rk4 n THR 145 Cb 0.65 -0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.80 1rk4 n THR 145 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1rk4 s SER 146 N -4.29 6.89 0.30 3.42 0.01 -0.37 -0.42 113.70 119.24 1rk4 s SER 146 Ca 0.04 1.07 -0.30 0.00 1.31 0.00 0.00 55.95 58.07 1rk4 s SER 146 Cb 0.13 -2.39 -0.12 0.00 0.21 0.00 0.00 66.02 63.85 1rk4 s SER 146 CO 0.77 -0.17 1.54 -2.65 0.41 0.00 0.00 173.24 173.14 1rk4 n PRO 147 N 4.22 2.58 -1.32 12.44 -0.02 -1.26 -4.71 135.00 146.92 1rk4 n PRO 147 Ca -0.01 0.92 -0.30 0.00 -2.02 0.00 0.00 63.50 62.08 1rk4 n PRO 147 Cb 0.51 -2.66 0.11 0.00 -0.02 0.00 0.00 33.50 31.43 1rk4 n PRO 147 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1rk4 s LEU 148 N -0.69 2.61 0.25 2.45 1.43 -1.26 -4.94 118.68 118.54 1rk4 s LEU 148 Ca 0.62 1.55 -0.02 0.00 -1.03 0.00 0.00 54.13 55.25 1rk4 s LEU 148 Cb -0.52 -4.13 0.50 0.00 0.03 0.00 0.00 46.19 42.08 1rk4 s LEU 148 CO 0.52 -2.24 1.75 -0.65 0.23 0.00 0.00 176.35 175.97 1rk4 h PRO 149 N -1.27 0.55 -0.12 1.29 0.11 -1.99 -0.07 132.00 130.50 1rk4 h PRO 149 Ca -0.47 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.64 1rk4 h PRO 149 Cb 1.26 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1rk4 h PRO 149 CO 0.55 0.36 0.21 1.49 -0.21 0.00 0.00 178.00 180.40 1rk4 h GLU 150 N 0.56 0.00 -0.01 1.05 4.22 -1.98 -2.77 114.58 115.65 1rk4 h GLU 150 Ca 0.44 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.88 1rk4 h GLU 150 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1rk4 h GLU 150 CO -0.37 0.00 -0.30 0.39 -2.18 0.00 0.00 179.01 176.55 1rk4 n GLU 151 N -3.45 1.26 -0.76 1.92 1.02 -0.04 -5.04 120.64 115.55 1rk4 n GLU 151 Ca 0.00 -0.94 -0.32 0.00 -0.02 0.00 0.00 57.16 55.88 1rk4 n GLU 151 Cb 0.30 -1.48 0.14 0.00 -0.02 0.00 0.00 31.44 30.39 1rk4 n GLU 151 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1rk4 n VAL 152 N -0.05 0.14 0.00 2.62 0.24 -1.05 -4.96 118.33 115.28 1rk4 n VAL 152 Ca 0.12 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1rk4 n VAL 152 Cb 0.43 -0.84 0.00 0.00 -1.47 0.00 0.00 33.84 31.96 1rk4 n VAL 152 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1rk4 n ASP 153 N -2.87 0.00 0.00 -1.34 2.03 -1.26 -5.15 116.55 107.96 1rk4 n ASP 153 Ca 0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1rk4 n ASP 153 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 1rk4 n ASP 153 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rk4 n GLY 161 N 0.00 4.25 3.63 0.27 0.00 -1.26 -5.30 105.19 106.79 1rk4 n GLY 161 Ca 0.00 -1.20 -0.34 0.00 0.00 0.00 0.00 46.02 44.47 1rk4 n GLY 161 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rk4 s VAL 162 N -0.86 4.04 0.34 1.61 1.01 -1.26 -4.47 120.40 120.81 1rk4 s VAL 162 Ca 0.00 -0.35 -0.26 0.00 0.00 0.00 0.00 61.98 61.37 1rk4 s VAL 162 Cb 0.00 -2.68 -0.09 0.00 0.00 0.00 0.00 36.38 33.61 1rk4 s VAL 162 CO 0.00 0.60 1.03 -0.55 0.00 0.00 0.00 175.10 176.18 1rk4 s SER 163 N -0.81 7.08 0.00 3.32 0.15 0.44 -4.88 113.70 119.01 1rk4 s SER 163 Ca 0.12 2.06 0.09 0.00 0.70 0.00 0.00 55.95 58.92 1rk4 s SER 163 Cb -0.11 -2.60 0.17 0.00 -1.71 0.00 0.00 66.02 61.77 1rk4 s SER 163 CO 0.02 -0.26 1.01 0.00 1.20 0.00 0.00 173.24 175.20 1rk4 n GLN 164 N 0.52 1.59 -1.66 5.44 6.02 -1.26 -4.86 117.38 123.17 1rk4 n GLN 164 Ca 0.02 -1.51 -0.33 0.00 -0.01 0.00 0.00 57.00 55.17 1rk4 n GLN 164 Cb 0.48 -1.21 0.06 0.00 1.02 0.00 0.00 30.24 30.59 1rk4 n GLN 164 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1rk4 s ARG 165 N -0.89 2.65 0.04 -1.09 1.70 -1.26 -4.96 118.95 115.13 1rk4 s ARG 165 Ca 0.15 1.41 -0.01 0.00 -0.47 0.00 0.00 55.73 56.82 1rk4 s ARG 165 Cb 0.09 -1.93 -0.27 0.00 -0.57 0.00 0.00 34.95 32.28 1rk4 s ARG 165 CO 0.13 -1.37 0.99 0.87 -1.08 0.00 0.00 175.30 174.84 1rk4 h LYS 166 N -0.15 0.20 0.00 3.89 1.57 -1.87 -3.49 116.57 116.73 1rk4 h LYS 166 Ca -0.46 -0.34 -0.29 0.00 -1.87 0.00 0.00 60.65 57.68 1rk4 h LYS 166 Cb 1.25 0.13 -0.06 0.00 0.08 0.00 0.00 32.23 33.62 1rk4 h LYS 166 CO 0.53 1.08 -0.24 1.19 -0.57 0.00 0.00 179.45 181.44 1rk4 n PHE 167 N -3.43 0.17 -0.28 -1.35 3.72 -0.22 -4.45 117.46 111.62 1rk4 n PHE 167 Ca -0.12 -1.33 0.02 0.00 -0.05 0.00 0.00 57.45 55.98 1rk4 n PHE 167 Cb 1.02 -0.03 0.16 0.00 -0.94 0.00 0.00 39.48 39.69 1rk4 n PHE 167 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1rk4 h LEU 168 N 0.00 0.63 -1.49 4.37 3.38 -1.94 -3.19 115.31 117.08 1rk4 h LEU 168 Ca -0.17 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1rk4 h LEU 168 Cb 0.63 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1rk4 h LEU 168 CO 0.28 0.36 0.00 -0.67 0.09 0.00 0.00 178.44 178.50 1rk4 n ASP 169 N -4.76 1.77 0.00 -0.43 2.03 -1.26 -4.86 116.55 109.04 1rk4 n ASP 169 Ca 0.13 -1.40 0.00 0.00 0.52 0.00 0.00 54.79 54.03 1rk4 n ASP 169 Cb 0.27 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 1rk4 n ASP 169 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rk4 n GLY 170 N 0.42 0.26 0.76 0.27 0.00 -1.21 -4.85 105.19 100.85 1rk4 n GLY 170 Ca 0.05 -1.39 0.12 0.00 0.00 0.00 0.00 46.02 44.80 1rk4 n GLY 170 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rk4 n ASN 171 N 0.00 2.34 -4.54 1.61 3.02 -1.26 -1.05 115.26 115.38 1rk4 n ASN 171 Ca 0.00 -1.78 -0.31 0.00 -0.03 0.00 0.00 54.58 52.45 1rk4 n ASN 171 Cb 0.00 -0.07 -0.11 0.00 -0.61 0.00 0.00 39.78 38.99 1rk4 n ASN 171 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1rk4 s GLU 172 N -1.86 2.33 0.33 3.52 0.41 -1.26 -4.81 118.70 117.36 1rk4 s GLU 172 Ca 0.34 -0.85 -0.29 0.00 -0.41 0.00 0.00 54.97 53.77 1rk4 s GLU 172 Cb 0.20 -2.36 -0.11 0.00 -1.78 0.00 0.00 34.13 30.08 1rk4 s GLU 172 CO 0.31 0.57 1.41 -0.51 -0.49 0.00 0.00 175.26 176.54 1rk4 s LEU 173 N -1.47 4.38 0.48 1.80 1.43 -1.26 -4.73 118.68 119.30 1rk4 s LEU 173 Ca 0.16 2.81 0.02 0.00 -1.03 0.00 0.00 54.13 56.10 1rk4 s LEU 173 Cb -0.11 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 42.45 1rk4 s LEU 173 CO 0.07 -0.70 0.05 0.42 0.23 0.00 0.00 176.35 176.42 1rk4 s THR 174 N -0.83 0.93 0.38 5.49 -4.23 -1.26 -4.89 115.64 111.24 1rk4 s THR 174 Ca 0.53 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.10 1rk4 s THR 174 Cb -0.43 -2.18 0.23 0.00 1.34 0.00 0.00 72.50 71.46 1rk4 s THR 174 CO 0.54 0.00 2.00 -0.07 -0.54 0.00 0.00 174.62 176.55 1rk4 h LEU 175 N 1.47 0.49 -0.81 4.79 3.38 -1.38 -0.73 115.31 122.52 1rk4 h LEU 175 Ca -0.41 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.54 1rk4 h LEU 175 Cb 1.30 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 1rk4 h LEU 175 CO 0.68 0.42 0.53 0.00 0.09 0.00 0.00 178.44 180.16 1rk4 h ALA 176 N 1.66 1.03 -0.48 1.53 0.00 -1.89 -1.75 119.26 119.35 1rk4 h ALA 176 Ca 0.14 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1rk4 h ALA 176 Cb 0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1rk4 h ALA 176 CO -0.02 0.41 -0.03 -0.44 0.00 0.00 0.00 179.25 179.16 1rk4 h ASP 177 N 1.07 0.81 -0.85 0.00 3.32 -1.50 -1.93 116.42 117.34 1rk4 h ASP 177 Ca 0.30 -0.22 0.05 0.00 0.02 0.00 0.00 57.03 57.19 1rk4 h ASP 177 Cb -0.09 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.19 1rk4 h ASP 177 CO -0.08 0.89 0.55 0.00 -1.72 0.00 0.00 179.24 178.89 1rk4 h ASN 179 N 0.99 -0.04 -0.15 0.00 -1.24 -1.24 -3.37 115.58 110.53 1rk4 h ASN 179 Ca 0.35 -0.57 -0.14 0.00 0.71 0.00 0.00 56.30 56.65 1rk4 h ASN 179 Cb 0.14 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.20 1rk4 h ASN 179 CO -0.12 0.57 -0.45 0.25 -1.29 0.00 0.00 177.43 176.39 1rk4 h LEU 180 N -0.67 0.65 -0.15 0.34 5.85 -1.15 -3.31 115.31 116.87 1rk4 h LEU 180 Ca -0.00 -0.60 -0.01 0.00 0.84 0.00 0.00 57.88 58.11 1rk4 h LEU 180 Cb 0.60 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1rk4 h LEU 180 CO 0.01 1.14 0.07 -0.07 -0.34 0.00 0.00 178.44 179.24 1rk4 h LEU 181 N 0.21 0.21 -0.94 2.25 3.38 -1.07 0.71 115.31 120.05 1rk4 h LEU 181 Ca -0.01 -0.15 0.13 0.00 0.09 0.00 0.00 57.88 57.93 1rk4 h LEU 181 Cb 1.07 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.69 1rk4 h LEU 181 CO 0.10 0.30 0.57 -0.65 0.09 0.00 0.00 178.44 178.84 1rk4 h PRO 182 N 0.10 0.85 -0.15 1.13 0.11 -1.76 -0.87 132.00 131.41 1rk4 h PRO 182 Ca 0.05 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 1rk4 h PRO 182 Cb 0.15 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.07 1rk4 h PRO 182 CO -0.01 0.56 -0.18 0.87 -0.21 0.00 0.00 178.00 179.04 1rk4 h LYS 183 N 0.87 0.38 -0.83 1.05 1.57 -1.54 -2.00 116.57 116.07 1rk4 h LYS 183 Ca 0.48 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1rk4 h LYS 183 Cb 0.53 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 1rk4 h LYS 183 CO -0.29 0.78 0.51 -0.07 -0.57 0.00 0.00 179.45 179.81 1rk4 h LEU 184 N -0.00 0.98 -0.66 2.94 3.38 -0.62 -0.48 115.31 120.85 1rk4 h LEU 184 Ca 0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1rk4 h LEU 184 Cb 0.72 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1rk4 h LEU 184 CO 0.04 0.75 0.33 -0.74 0.09 0.00 0.00 178.44 178.91 1rk4 h HIS 185 N 1.13 0.94 -0.69 1.13 2.76 -1.13 -0.79 115.15 118.51 1rk4 h HIS 185 Ca 0.30 -0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 58.38 1rk4 h HIS 185 Cb -0.07 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 28.57 1rk4 h HIS 185 CO -0.01 0.70 0.24 0.82 -1.30 0.00 0.00 177.93 178.38 1rk4 h ILE 186 N 0.91 1.25 -0.35 6.26 2.04 -0.75 -1.39 117.51 125.48 1rk4 h ILE 186 Ca 0.23 -0.83 0.03 0.00 1.00 0.00 0.00 64.86 65.29 1rk4 h ILE 186 Cb 0.10 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1rk4 h ILE 186 CO -0.03 0.33 0.15 0.58 0.00 0.00 0.00 178.15 179.17 1rk4 h VAL 187 N 0.99 0.94 0.03 1.67 2.07 -0.75 -0.27 116.25 120.92 1rk4 h VAL 187 Ca 0.22 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.65 1rk4 h VAL 187 Cb 0.26 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1rk4 h VAL 187 CO -0.01 0.06 -0.11 1.56 0.02 0.00 0.00 177.57 179.08 1rk4 h GLN 188 N 0.31 -0.20 -0.11 1.57 4.20 -0.89 -0.08 115.11 119.90 1rk4 h GLN 188 Ca 0.15 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 1rk4 h GLN 188 Cb 0.10 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1rk4 h GLN 188 CO -0.13 -0.13 0.03 0.28 -0.67 0.00 0.00 178.83 178.21 1rk4 h VAL 189 N -0.21 1.18 -0.18 -0.54 2.07 -0.97 -1.58 116.25 116.02 1rk4 h VAL 189 Ca 0.03 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 66.92 1rk4 h VAL 189 Cb 0.25 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1rk4 h VAL 189 CO -0.09 0.16 -0.20 0.58 0.02 0.00 0.00 177.57 178.04 1rk4 h VAL 190 N -0.01 1.34 -0.64 2.57 2.07 -1.03 -2.09 116.25 118.47 1rk4 h VAL 190 Ca 0.04 -1.38 -0.05 0.00 0.82 0.00 0.00 66.70 66.13 1rk4 h VAL 190 Cb 0.22 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 1rk4 h VAL 190 CO -0.00 0.41 0.21 0.00 0.02 0.00 0.00 177.57 178.21 1rk4 h LYS 192 N 0.93 0.28 -0.06 0.00 3.64 -1.14 -0.26 116.57 119.97 1rk4 h LYS 192 Ca 0.21 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1rk4 h LYS 192 Cb 0.25 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1rk4 h LYS 192 CO -0.01 0.36 0.01 -0.22 -2.27 0.00 0.00 179.45 177.32 1rk4 h LYS 193 N 0.15 0.09 0.00 1.90 1.63 -1.17 -2.05 116.57 117.12 1rk4 h LYS 193 Ca 0.06 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1rk4 h LYS 193 Cb 0.19 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 1rk4 h LYS 193 CO -0.00 0.30 -0.93 0.66 -3.45 0.00 0.00 179.45 176.03 1rk4 n TYR 194 N -4.91 0.05 -0.33 1.91 4.01 -0.32 -4.51 117.16 113.06 1rk4 n TYR 194 Ca -0.07 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1rk4 n TYR 194 Cb 0.15 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 1rk4 n TYR 194 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1rk4 n ARG 195 N -1.62 1.06 -1.63 -0.72 5.12 -0.15 -5.00 116.66 113.71 1rk4 n ARG 195 Ca 0.04 -0.10 -0.19 0.00 -1.93 0.00 0.00 57.85 55.66 1rk4 n ARG 195 Cb 0.36 -0.46 -0.08 0.00 -1.16 0.00 0.00 32.46 31.13 1rk4 n ARG 195 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rk4 n GLY 196 N 0.18 1.66 3.80 -0.13 0.00 -0.77 -4.97 105.19 104.97 1rk4 n GLY 196 Ca 0.00 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1rk4 n GLY 196 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1rk4 s PHE 197 N -2.74 3.65 0.13 1.61 2.19 -1.00 -4.93 117.98 116.89 1rk4 s PHE 197 Ca 0.00 0.90 0.05 0.00 0.33 0.00 0.00 56.93 58.21 1rk4 s PHE 197 Cb 0.00 -2.32 -0.04 0.00 -1.31 0.00 0.00 43.02 39.35 1rk4 s PHE 197 CO 0.00 0.52 -0.12 0.95 1.83 0.00 0.00 175.22 178.40 1rk4 s THR 198 N -0.58 1.20 -0.09 0.12 -4.23 -1.26 -2.87 115.64 107.92 1rk4 s THR 198 Ca 0.23 -1.84 -0.30 0.00 -1.18 0.00 0.00 61.69 58.60 1rk4 s THR 198 Cb -0.16 -1.62 -0.03 0.00 1.34 0.00 0.00 72.50 72.03 1rk4 s THR 198 CO 0.11 -0.58 1.28 -0.63 -0.54 0.00 0.00 174.62 174.26 1rk4 s ILE 199 N -2.67 4.15 0.27 2.99 1.01 -1.26 -4.94 121.20 120.76 1rk4 s ILE 199 Ca 0.11 1.45 -0.30 0.00 0.00 0.00 0.00 60.65 61.92 1rk4 s ILE 199 Cb -0.02 -3.93 -0.14 0.00 0.01 0.00 0.00 42.46 38.38 1rk4 s ILE 199 CO 0.02 -0.06 1.21 -2.65 0.00 0.00 0.00 174.94 173.46 1rk4 n PRO 200 N 5.87 1.72 0.14 2.79 -0.02 -1.26 -4.83 135.00 139.42 1rk4 n PRO 200 Ca 0.13 0.61 0.18 0.00 -2.02 0.00 0.00 63.50 62.40 1rk4 n PRO 200 Cb 0.45 -2.13 0.78 0.00 -0.02 0.00 0.00 33.50 32.58 1rk4 n PRO 200 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1rk4 h GLU 201 N 2.93 0.00 0.00 -0.52 4.39 -2.03 -0.89 114.58 118.46 1rk4 h GLU 201 Ca -0.43 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.26 1rk4 h GLU 201 Cb 1.31 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1rk4 h GLU 201 CO 0.66 0.00 -0.04 0.00 -1.16 0.00 0.00 179.01 178.48 1rk4 h ALA 202 N 1.69 1.03 -0.77 3.43 0.00 -2.02 -3.30 119.26 119.32 1rk4 h ALA 202 Ca 0.14 -0.03 -0.70 0.00 0.00 0.00 0.00 54.91 54.32 1rk4 h ALA 202 Cb 0.72 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 1rk4 h ALA 202 CO -0.00 0.05 2.31 1.19 0.00 0.00 0.00 179.25 182.80 1rk4 n PHE 203 N -3.18 4.40 -0.07 0.00 3.72 -0.34 -4.77 117.46 117.22 1rk4 n PHE 203 Ca -0.00 -2.92 -0.04 0.00 -0.05 0.00 0.00 57.45 54.43 1rk4 n PHE 203 Cb 0.28 -2.55 0.18 0.00 -0.94 0.00 0.00 39.48 36.44 1rk4 n PHE 203 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rk4 h ARG 204 N 7.12 0.70 0.15 -1.08 2.47 -1.83 -1.57 114.38 120.33 1rk4 h ARG 204 Ca 0.46 -0.21 0.01 0.00 -1.26 0.00 0.00 59.98 58.99 1rk4 h ARG 204 Cb 0.81 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 29.03 1rk4 h ARG 204 CO 1.54 0.76 -0.27 0.78 0.56 0.00 0.00 179.97 183.34 1rk4 h GLY 205 N 0.96 -0.53 0.99 0.04 0.00 -1.86 -0.81 103.07 101.87 1rk4 h GLY 205 Ca 0.12 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1rk4 h GLY 205 CO 0.03 -0.23 0.07 -2.08 0.00 0.00 0.00 176.54 174.33 1rk4 h VAL 206 N -0.50 1.04 -0.78 4.60 2.07 -1.82 -1.52 116.25 119.33 1rk4 h VAL 206 Ca 0.02 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1rk4 h VAL 206 Cb 0.51 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1rk4 h VAL 206 CO -0.13 0.03 0.47 0.45 0.02 0.00 0.00 177.57 178.41 1rk4 h HIS 207 N 0.13 1.03 -0.49 1.57 -0.00 -1.22 -1.30 115.15 114.87 1rk4 h HIS 207 Ca 0.04 -0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.29 1rk4 h HIS 207 Cb -0.00 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.05 1rk4 h HIS 207 CO -0.07 0.70 -0.14 -0.09 -0.00 0.00 0.00 177.93 178.33 1rk4 h ARG 208 N 1.07 0.96 0.01 2.45 2.43 -1.04 -0.95 114.38 119.31 1rk4 h ARG 208 Ca 0.28 -0.38 0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1rk4 h ARG 208 Cb -0.03 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 1rk4 h ARG 208 CO -0.05 1.05 -0.13 -0.92 -1.51 0.00 0.00 179.97 178.40 1rk4 h TYR 209 N 0.82 -0.34 -0.67 2.20 3.20 -1.09 0.55 116.97 121.64 1rk4 h TYR 209 Ca 0.12 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 1rk4 h TYR 209 Cb 0.71 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.10 1rk4 h TYR 209 CO 0.05 -0.20 0.26 -0.07 -1.64 0.00 0.00 178.16 176.56 1rk4 h LEU 210 N -0.23 0.93 -0.26 2.82 3.38 -1.08 -0.52 115.31 120.35 1rk4 h LEU 210 Ca 0.04 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1rk4 h LEU 210 Cb 0.28 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1rk4 h LEU 210 CO -0.12 0.86 0.15 0.28 0.09 0.00 0.00 178.44 179.69 1rk4 h SER 211 N 0.95 0.23 -0.77 -0.43 0.02 -0.85 0.12 113.55 112.83 1rk4 h SER 211 Ca 0.22 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1rk4 h SER 211 Cb 0.23 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.68 1rk4 h SER 211 CO -0.02 0.17 0.39 0.78 -1.14 0.00 0.00 176.83 177.02 1rk4 h ASN 212 N 0.31 1.00 -0.41 3.07 2.35 -0.72 -2.00 115.58 119.18 1rk4 h ASN 212 Ca 0.10 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 1rk4 h ASN 212 Cb 0.01 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 1rk4 h ASN 212 CO -0.05 0.83 -0.15 0.00 -1.65 0.00 0.00 177.43 176.40 1rk4 h ALA 213 N 1.32 0.57 0.00 -0.83 0.00 -0.63 -2.99 119.26 116.70 1rk4 h ALA 213 Ca 0.27 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1rk4 h ALA 213 Cb 0.08 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1rk4 h ALA 213 CO -0.04 0.49 -0.11 1.88 0.00 0.00 0.00 179.25 181.47 1rk4 h TYR 214 N 0.63 0.00 -0.01 0.00 0.05 -0.54 -1.66 116.97 115.45 1rk4 h TYR 214 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.88 1rk4 h TYR 214 Cb 0.70 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.44 1rk4 h TYR 214 CO 0.05 0.11 0.00 0.00 -1.05 0.00 0.00 178.16 177.28 1rk4 n ALA 215 N -2.24 2.65 -3.05 3.88 0.00 -0.77 -4.60 120.51 116.38 1rk4 n ALA 215 Ca -0.01 -0.25 -0.34 0.00 0.00 0.00 0.00 53.44 52.83 1rk4 n ALA 215 Cb 0.25 -1.41 -0.13 0.00 0.00 0.00 0.00 19.45 18.16 1rk4 n ALA 215 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1rk4 s ARG 216 N -1.99 3.59 0.54 0.00 1.81 -0.62 -5.00 118.95 117.28 1rk4 s ARG 216 Ca 0.44 -0.55 0.33 0.00 -1.72 0.00 0.00 55.73 54.22 1rk4 s ARG 216 Cb 0.21 -2.91 1.41 0.00 -0.45 0.00 0.00 34.95 33.21 1rk4 s ARG 216 CO 0.35 0.15 2.01 1.05 -0.68 0.00 0.00 175.30 178.18 1rk4 h GLU 217 N 6.98 0.00 -0.04 3.54 4.11 -1.86 -1.09 114.58 126.23 1rk4 h GLU 217 Ca -0.32 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.08 1rk4 h GLU 217 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1rk4 h GLU 217 CO 0.61 0.05 -0.12 0.93 0.07 0.00 0.00 179.01 180.55 1rk4 h GLU 218 N 0.00 0.06 0.00 1.06 3.07 -1.94 0.15 114.58 116.97 1rk4 h GLU 218 Ca -0.00 -0.01 -0.18 0.00 -0.50 0.00 0.00 59.36 58.67 1rk4 h GLU 218 Cb 0.48 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.36 1rk4 h GLU 218 CO 0.01 0.18 -1.00 0.35 -1.40 0.00 0.00 179.01 177.15 1rk4 h PHE 219 N 0.05 0.00 -0.51 4.33 3.04 -1.61 -3.39 116.94 118.86 1rk4 h PHE 219 Ca 0.01 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.92 1rk4 h PHE 219 Cb 0.25 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.74 1rk4 h PHE 219 CO 0.00 1.30 0.17 0.00 -2.02 0.00 0.00 178.31 177.75 1rk4 h ALA 220 N -0.46 0.67 0.00 2.41 0.00 -1.06 -2.52 119.26 118.31 1rk4 h ALA 220 Ca -0.27 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1rk4 h ALA 220 Cb 1.19 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1rk4 h ALA 220 CO -0.16 0.32 0.00 0.77 0.00 0.00 0.00 179.25 180.18 1rk4 h SER 221 N 0.70 0.00 -0.43 0.00 0.02 -0.95 -2.70 113.55 110.19 1rk4 h SER 221 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1rk4 h SER 221 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1rk4 h SER 221 CO -0.01 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 176.03 1rk4 n THR 222 N -2.56 1.17 -3.44 -2.27 -2.24 -0.98 -4.99 114.28 98.97 1rk4 n THR 222 Ca 0.02 -1.09 -0.38 0.00 -2.27 0.00 0.00 64.05 60.33 1rk4 n THR 222 Cb 0.26 0.41 -0.08 0.00 -2.10 0.00 0.00 70.33 68.82 1rk4 n THR 222 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rk4 s PRO 224 N 1.33 2.89 0.86 0.00 0.04 -1.26 -5.00 135.00 133.86 1rk4 s PRO 224 Ca 0.16 1.68 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 1rk4 s PRO 224 Cb -0.15 -1.93 0.11 0.00 0.04 0.00 0.00 34.50 32.57 1rk4 s PRO 224 CO 0.07 -1.24 1.14 0.16 0.04 0.00 0.00 177.00 177.18 1rk4 s ASP 225 N -1.90 4.01 0.26 6.66 1.47 -1.26 -4.83 116.67 121.08 1rk4 s ASP 225 Ca 0.74 0.97 -0.04 0.00 1.18 0.00 0.00 52.55 55.39 1rk4 s ASP 225 Cb -0.27 -1.55 0.33 0.00 -0.34 0.00 0.00 42.92 41.09 1rk4 s ASP 225 CO 0.35 -2.24 1.91 0.44 0.68 0.00 0.00 175.17 176.32 1rk4 h ASP 226 N -1.28 1.10 -0.99 2.11 5.19 -2.00 -1.99 116.42 118.57 1rk4 h ASP 226 Ca -0.49 -0.01 0.02 0.00 -0.62 0.00 0.00 57.03 55.93 1rk4 h ASP 226 Cb 1.32 -0.26 -0.05 0.00 0.18 0.00 0.00 39.33 40.52 1rk4 h ASP 226 CO 0.63 0.76 0.65 -0.08 -3.12 0.00 0.00 179.24 178.08 1rk4 h GLU 227 N 1.28 1.26 -0.50 3.56 4.81 -1.98 0.71 114.58 123.72 1rk4 h GLU 227 Ca 0.39 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.46 1rk4 h GLU 227 Cb -0.02 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.05 1rk4 h GLU 227 CO -0.12 0.83 -0.03 0.93 -0.73 0.00 0.00 179.01 179.90 1rk4 h GLU 228 N 1.30 0.87 0.18 1.92 5.08 -1.73 -0.17 114.58 122.03 1rk4 h GLU 228 Ca 0.38 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1rk4 h GLU 228 Cb -0.09 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1rk4 h GLU 228 CO -0.10 0.88 -0.09 0.82 -1.00 0.00 0.00 179.01 179.53 1rk4 h ILE 229 N 0.80 0.90 -0.42 3.13 2.04 -1.08 -1.42 117.51 121.46 1rk4 h ILE 229 Ca 0.15 -0.98 0.07 0.00 1.00 0.00 0.00 64.86 65.10 1rk4 h ILE 229 Cb 0.52 1.43 -0.06 0.00 -0.74 0.00 0.00 36.82 37.97 1rk4 h ILE 229 CO 0.03 0.20 0.06 -0.33 0.00 0.00 0.00 178.15 178.11 1rk4 h GLU 230 N -0.77 0.18 -0.03 2.37 5.08 -0.78 -1.78 114.58 118.84 1rk4 h GLU 230 Ca -0.02 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 1rk4 h GLU 230 Cb 0.52 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1rk4 h GLU 230 CO 0.04 0.12 -0.59 -0.07 -1.00 0.00 0.00 179.01 177.51 1rk4 h LEU 231 N 0.18 0.12 -1.68 1.33 3.38 -1.08 -2.25 115.31 115.30 1rk4 h LEU 231 Ca 0.21 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1rk4 h LEU 231 Cb 0.27 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1rk4 h LEU 231 CO -0.29 0.68 -0.09 0.00 0.09 0.00 0.00 178.44 178.83 1rk4 h ALA 232 N 1.32 1.74 -0.19 1.53 0.00 -0.37 -2.94 119.26 120.35 1rk4 h ALA 232 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1rk4 h ALA 232 Cb 1.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1rk4 h ALA 232 CO 0.08 0.19 0.00 0.66 0.00 0.00 0.00 179.25 180.19 1rk4 n TYR 233 N -4.38 0.24 1.28 0.00 4.01 -1.03 -5.10 117.16 112.17 1rk4 n TYR 233 Ca -0.02 -0.19 0.10 0.00 -0.16 0.00 0.00 57.90 57.63 1rk4 n TYR 233 Cb 0.19 -0.01 0.61 0.00 -0.31 0.00 0.00 39.34 39.82 1rk4 n TYR 233 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49