#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 6.96 -0.14 1.61 0.01 -1.26 -4.95 114.94 117.18 1rk4 s ASN 23 Ca 0.00 1.76 -0.37 0.00 -0.71 0.00 0.00 52.86 53.54 1rk4 s ASN 23 Cb 0.00 -2.55 -0.14 0.00 0.41 0.00 0.00 41.25 38.97 1rk4 s ASN 23 CO 0.00 -0.34 1.74 0.00 -1.51 0.00 0.00 177.10 176.99 1rk4 n PRO 25 N 5.40 0.10 -2.98 0.00 -0.04 -1.26 -4.16 135.00 132.06 1rk4 n PRO 25 Ca 0.23 0.19 -0.44 0.00 -0.04 0.00 0.00 63.50 63.45 1rk4 n PRO 25 Cb 0.21 -1.64 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 -1.82 4.56 -4.44 0.54 3.72 -1.26 -4.52 117.46 114.24 1rk4 n PHE 26 Ca 0.05 -3.37 -0.21 0.00 -0.05 0.00 0.00 57.45 53.86 1rk4 n PHE 26 Cb 0.30 -1.94 -0.11 0.00 -0.94 0.00 0.00 39.48 36.79 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 1.73 2.37 0.42 4.37 1.04 -1.26 -4.98 113.70 117.39 1rk4 s SER 27 Ca 0.38 -1.34 0.15 0.00 0.48 0.00 0.00 55.95 55.62 1rk4 s SER 27 Cb -0.02 -0.09 1.03 0.00 0.10 0.00 0.00 66.02 67.04 1rk4 s SER 27 CO -0.01 -0.57 1.92 -0.61 0.98 0.00 0.00 173.24 174.95 1rk4 h GLN 28 N 2.17 0.43 -0.14 4.02 4.15 -1.92 0.05 115.11 123.86 1rk4 h GLN 28 Ca -0.40 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.04 1rk4 h GLN 28 Cb 1.24 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 28.77 1rk4 h GLN 28 CO 0.69 0.28 -0.26 -0.09 -1.93 0.00 0.00 178.83 177.52 1rk4 h ARG 29 N 0.44 -0.31 -0.57 1.69 2.43 -1.94 0.50 114.38 116.62 1rk4 h ARG 29 Ca 0.37 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.50 1rk4 h ARG 29 Cb 0.83 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.43 1rk4 h ARG 29 CO -0.12 -0.21 0.11 1.25 -1.51 0.00 0.00 179.97 179.49 1rk4 h LEU 30 N -0.32 0.86 -0.78 3.80 5.85 -1.29 -2.17 115.31 121.26 1rk4 h LEU 30 Ca 0.10 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1rk4 h LEU 30 Cb 0.48 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 1rk4 h LEU 30 CO -0.33 0.86 0.50 -0.26 -0.34 0.00 0.00 178.44 178.87 1rk4 h PHE 31 N 0.86 0.93 -0.46 1.25 0.04 -0.26 -0.70 116.94 118.60 1rk4 h PHE 31 Ca 0.18 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.96 1rk4 h PHE 31 Cb 0.36 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 1rk4 h PHE 31 CO 0.02 0.53 0.22 0.52 -0.60 0.00 0.00 178.31 179.00 1rk4 h MET 32 N 0.96 0.66 -0.13 1.51 2.86 -0.69 -1.22 114.93 118.88 1rk4 h MET 32 Ca 0.31 -0.10 0.04 0.00 -2.06 0.00 0.00 59.70 57.89 1rk4 h MET 32 Cb 0.02 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.52 1rk4 h MET 32 CO -0.11 0.57 -0.12 0.28 1.06 0.00 0.00 176.91 178.58 1rk4 h VAL 33 N 0.60 0.65 0.16 -2.22 2.07 -0.99 0.17 116.25 116.68 1rk4 h VAL 33 Ca 0.16 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.69 1rk4 h VAL 33 Cb 0.13 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1rk4 h VAL 33 CO -0.02 0.00 -0.23 -0.07 0.02 0.00 0.00 177.57 177.27 1rk4 h LEU 34 N -0.15 -0.63 -0.82 2.57 3.38 -0.89 0.19 115.31 118.98 1rk4 h LEU 34 Ca 0.09 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.22 1rk4 h LEU 34 Cb 0.28 0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 1rk4 h LEU 34 CO -0.22 -0.32 0.47 -0.50 0.09 0.00 0.00 178.44 177.96 1rk4 h TRP 35 N -0.45 0.84 -0.08 1.13 4.06 -0.96 0.93 115.95 121.43 1rk4 h TRP 35 Ca 0.02 0.03 -0.12 0.00 2.06 0.00 0.00 58.89 60.88 1rk4 h TRP 35 Cb 0.45 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 28.34 1rk4 h TRP 35 CO -0.19 0.34 -0.48 -0.07 -3.56 0.00 0.00 178.44 174.48 1rk4 h LEU 36 N 0.78 0.21 -0.57 -4.49 3.38 -0.75 -0.96 115.31 112.91 1rk4 h LEU 36 Ca 0.39 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1rk4 h LEU 36 Cb 0.36 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1rk4 h LEU 36 CO -0.25 0.66 0.00 0.29 0.09 0.00 0.00 178.44 179.23 1rk4 n LYS 37 N -3.96 0.15 0.00 1.13 4.76 0.04 -4.77 118.16 115.50 1rk4 n LYS 37 Ca -0.02 0.39 0.00 0.00 -2.87 0.00 0.00 58.31 55.82 1rk4 n LYS 37 Cb 0.53 -1.79 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 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 -0.08 1.05 3.09 0.72 0.00 -0.37 -4.63 105.19 104.98 1rk4 n GLY 38 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1rk4 n GLY 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rk4 n VAL 39 N -1.80 3.28 -2.69 1.61 0.31 0.27 -4.98 118.33 114.33 1rk4 n VAL 39 Ca 0.00 -5.20 -0.26 0.00 -0.01 0.00 0.00 64.34 58.88 1rk4 n VAL 39 Cb 0.00 -2.37 0.01 0.00 -0.91 0.00 0.00 33.84 30.57 1rk4 n VAL 39 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1rk4 s THR 40 N -1.51 4.18 0.34 2.52 -4.23 -1.26 -3.30 115.64 112.37 1rk4 s THR 40 Ca 0.29 -0.11 0.07 0.00 -1.18 0.00 0.00 61.69 60.75 1rk4 s THR 40 Cb -0.06 -3.60 -0.02 0.00 1.34 0.00 0.00 72.50 70.17 1rk4 s THR 40 CO -0.11 -0.54 0.37 -0.36 -0.54 0.00 0.00 174.62 173.45 1rk4 s PHE 41 N -2.76 2.98 0.10 3.99 0.08 -1.26 -5.02 117.98 116.10 1rk4 s PHE 41 Ca 0.50 -0.27 -0.30 0.00 0.12 0.00 0.00 56.93 56.97 1rk4 s PHE 41 Cb -0.10 -1.89 -0.06 0.00 -0.57 0.00 0.00 43.02 40.40 1rk4 s PHE 41 CO 0.42 0.09 1.08 -0.80 -0.10 0.00 0.00 175.22 175.92 1rk4 s ASN 42 N -4.07 7.27 -0.93 1.36 0.01 -1.26 -4.98 114.94 112.34 1rk4 s ASN 42 Ca 0.43 1.94 -0.11 0.00 -0.71 0.00 0.00 52.86 54.40 1rk4 s ASN 42 Cb -0.07 -2.59 0.24 0.00 0.41 0.00 0.00 41.25 39.24 1rk4 s ASN 42 CO 0.28 -0.27 0.89 -0.69 -1.51 0.00 0.00 177.10 175.80 1rk4 s VAL 43 N 0.39 5.66 0.06 1.60 1.01 -1.26 -4.76 120.40 123.10 1rk4 s VAL 43 Ca 0.52 -2.90 -0.09 0.00 0.00 0.00 0.00 61.98 59.50 1rk4 s VAL 43 Cb -0.27 -4.46 0.00 0.00 0.00 0.00 0.00 36.38 31.65 1rk4 s VAL 43 CO 0.31 -1.09 0.20 0.42 0.00 0.00 0.00 175.10 174.94 1rk4 s THR 44 N -0.44 0.12 0.35 3.92 -4.23 -1.26 -5.05 115.64 109.05 1rk4 s THR 44 Ca 0.23 -1.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.82 1rk4 s THR 44 Cb -0.10 -1.09 0.12 0.00 1.34 0.00 0.00 72.50 72.77 1rk4 s THR 44 CO -0.09 -0.55 1.85 0.71 -0.54 0.00 0.00 174.62 176.00 1rk4 h THR 45 N 3.15 1.22 -0.79 3.99 1.35 -1.99 -0.83 112.91 119.00 1rk4 h THR 45 Ca -0.33 -0.99 0.02 0.00 -0.55 0.00 0.00 66.41 64.56 1rk4 h THR 45 Cb 1.20 1.30 -0.04 0.00 -1.73 0.00 0.00 68.15 68.88 1rk4 h THR 45 CO 0.51 0.31 0.52 0.58 -0.25 0.00 0.00 175.52 177.19 1rk4 h VAL 46 N 0.26 1.18 -0.41 6.82 2.07 -1.98 -0.81 116.25 123.38 1rk4 h VAL 46 Ca 0.05 -0.36 -0.13 0.00 0.82 0.00 0.00 66.70 67.07 1rk4 h VAL 46 Cb 0.49 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1rk4 h VAL 46 CO 0.03 0.19 -0.27 0.44 0.02 0.00 0.00 177.57 177.98 1rk4 h ASP 47 N 1.04 0.95 -0.63 0.57 5.19 -1.65 -0.99 116.42 120.90 1rk4 h ASP 47 Ca 0.30 -0.43 0.05 0.00 -0.62 0.00 0.00 57.03 56.33 1rk4 h ASP 47 Cb -0.08 -0.26 -0.05 0.00 0.18 0.00 0.00 39.33 39.11 1rk4 h ASP 47 CO -0.08 1.17 0.36 0.74 -3.12 0.00 0.00 179.24 178.31 1rk4 h THR 48 N 0.73 0.99 -0.06 0.35 2.02 -0.88 0.10 112.91 116.16 1rk4 h THR 48 Ca 0.08 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1rk4 h THR 48 Cb 0.85 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1rk4 h THR 48 CO 0.07 0.12 -0.02 0.11 0.37 0.00 0.00 175.52 176.18 1rk4 h LYS 49 N 0.68 0.11 -0.80 6.66 1.57 -0.99 -0.67 116.57 123.13 1rk4 h LYS 49 Ca 0.28 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.03 1rk4 h LYS 49 Cb 0.14 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1rk4 h LYS 49 CO -0.16 0.46 0.52 0.00 -0.57 0.00 0.00 179.45 179.70 1rk4 h ARG 50 N -0.24 1.01 -0.17 3.15 3.08 -1.00 0.57 114.38 120.78 1rk4 h ARG 50 Ca 0.01 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1rk4 h ARG 50 Cb 0.42 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1rk4 h ARG 50 CO 0.01 0.67 0.05 -0.09 -1.07 0.00 0.00 179.97 179.54 1rk4 h ARG 51 N 1.04 0.27 -0.86 0.04 2.43 -0.69 -2.01 114.38 114.61 1rk4 h ARG 51 Ca 0.30 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 1rk4 h ARG 51 Cb -0.07 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.40 1rk4 h ARG 51 CO -0.08 0.38 0.56 1.15 -1.51 0.00 0.00 179.97 180.47 1rk4 h THR 52 N 0.10 1.19 -0.45 0.20 2.02 -0.81 -0.23 112.91 114.94 1rk4 h THR 52 Ca 0.06 -0.39 -0.08 0.00 0.77 0.00 0.00 66.41 66.77 1rk4 h THR 52 Cb 0.22 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 1rk4 h THR 52 CO -0.00 0.21 -0.02 -0.33 0.37 0.00 0.00 175.52 175.74 1rk4 h GLU 53 N 1.13 0.80 -0.56 6.66 5.08 -0.79 -0.91 114.58 126.00 1rk4 h GLU 53 Ca 0.32 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1rk4 h GLU 53 Cb -0.09 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1rk4 h GLU 53 CO -0.08 0.88 0.19 1.15 -1.00 0.00 0.00 179.01 180.14 1rk4 h THR 54 N 0.65 1.23 -0.03 1.13 2.02 -0.94 -2.24 112.91 114.73 1rk4 h THR 54 Ca 0.12 -0.77 -0.11 0.00 0.77 0.00 0.00 66.41 66.42 1rk4 h THR 54 Cb 0.53 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1rk4 h THR 54 CO 0.03 0.29 -0.52 0.58 0.37 0.00 0.00 175.52 176.27 1rk4 h VAL 55 N 0.77 1.37 -0.95 3.16 2.07 -0.82 -1.42 116.25 120.43 1rk4 h VAL 55 Ca 0.18 -1.78 0.02 0.00 0.82 0.00 0.00 66.70 65.94 1rk4 h VAL 55 Cb 0.26 1.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 1rk4 h VAL 55 CO -0.01 0.51 0.63 1.56 0.02 0.00 0.00 177.57 180.29 1rk4 h GLN 56 N 0.05 1.22 -0.45 1.57 4.20 -0.76 0.98 115.11 121.92 1rk4 h GLN 56 Ca -0.00 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 58.49 1rk4 h GLN 56 Cb 0.94 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1rk4 h GLN 56 CO 0.07 0.81 -0.28 -0.22 -0.67 0.00 0.00 178.83 178.54 1rk4 h LYS 57 N 1.26 0.99 0.00 1.46 3.64 -0.75 -3.02 116.57 120.14 1rk4 h LYS 57 Ca 0.36 -0.45 -0.08 0.00 -1.27 0.00 0.00 60.65 59.21 1rk4 h LYS 57 Cb -0.09 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1rk4 h LYS 57 CO -0.09 1.13 -0.36 -0.07 -2.27 0.00 0.00 179.45 177.79 1rk4 h LEU 58 N 0.83 0.00 -6.02 5.20 3.38 -0.89 -3.36 115.31 114.46 1rk4 h LEU 58 Ca 0.09 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.50 1rk4 h LEU 58 Cb 0.86 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.21 1rk4 h LEU 58 CO 0.08 0.36 -0.92 0.00 0.09 0.00 0.00 178.44 178.04 1rk4 h PRO 60 N 3.89 0.24 0.00 0.00 0.13 -1.69 -2.19 132.00 132.38 1rk4 h PRO 60 Ca 0.12 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1rk4 h PRO 60 Cb 0.80 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1rk4 h PRO 60 CO 0.61 0.28 0.00 0.41 -0.23 0.00 0.00 178.00 179.07 1rk4 n GLY 61 N -1.16 -1.09 0.00 1.56 0.00 -1.26 -4.92 105.19 98.33 1rk4 n GLY 61 Ca -0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1rk4 n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rk4 n GLY 62 N -0.50 4.65 0.06 -0.02 0.00 -0.82 -5.08 105.19 103.46 1rk4 n GLY 62 Ca 0.01 -1.08 -0.07 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.89 1.33 -2.54 1.61 3.00 -1.26 -4.41 117.38 113.22 1rk4 n GLN 63 Ca 0.00 0.04 -0.28 0.00 -0.01 0.00 0.00 57.00 56.74 1rk4 n GLN 63 Cb 0.00 -1.28 -0.00 0.00 0.00 0.00 0.00 30.24 28.96 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 -5.28 3.60 0.28 1.08 1.43 -1.26 -4.54 118.68 113.98 1rk4 s LEU 64 Ca -0.12 1.05 -0.30 0.00 -1.03 0.00 0.00 54.13 53.73 1rk4 s LEU 64 Cb 0.04 -4.01 -0.11 0.00 0.03 0.00 0.00 46.19 42.14 1rk4 s LEU 64 CO 0.38 -0.60 1.61 -2.16 0.23 0.00 0.00 176.35 175.82 1rk4 s PRO 65 N -4.66 4.12 0.53 1.29 0.04 -1.26 -4.76 135.00 130.31 1rk4 s PRO 65 Ca 0.49 2.58 -0.21 0.00 0.04 0.00 0.00 61.00 63.91 1rk4 s PRO 65 Cb -0.10 -3.03 -0.06 0.00 0.04 0.00 0.00 34.50 31.35 1rk4 s PRO 65 CO 0.44 -0.65 1.20 -0.06 0.04 0.00 0.00 177.00 177.97 1rk4 s PHE 66 N 0.16 2.60 0.40 0.56 0.08 -1.26 -5.00 117.98 115.52 1rk4 s PHE 66 Ca 0.65 1.51 -0.26 0.00 0.12 0.00 0.00 56.93 58.95 1rk4 s PHE 66 Cb -0.48 -3.45 -0.09 0.00 -0.57 0.00 0.00 43.02 38.44 1rk4 s PHE 66 CO 0.46 -1.92 1.27 -0.51 -0.10 0.00 0.00 175.22 174.42 1rk4 s LEU 67 N -3.58 4.23 0.49 -0.37 1.43 -1.26 -5.01 118.68 114.61 1rk4 s LEU 67 Ca 0.71 2.58 -0.09 0.00 -1.03 0.00 0.00 54.13 56.31 1rk4 s LEU 67 Cb -0.30 -3.91 -0.05 0.00 0.03 0.00 0.00 46.19 41.97 1rk4 s LEU 67 CO 0.34 -0.78 0.84 -0.76 0.23 0.00 0.00 176.35 176.22 1rk4 s LEU 68 N -2.38 3.62 0.52 1.79 1.02 -1.26 -5.09 118.68 116.90 1rk4 s LEU 68 Ca 0.56 1.13 -0.01 0.00 0.02 0.00 0.00 54.13 55.83 1rk4 s LEU 68 Cb -0.36 -4.08 0.01 0.00 0.02 0.00 0.00 46.19 41.77 1rk4 s LEU 68 CO 0.47 -0.58 0.77 -0.31 0.02 0.00 0.00 176.35 176.72 1rk4 s TYR 69 N -2.70 3.14 0.34 0.29 2.02 -1.26 -4.64 117.35 114.54 1rk4 s TYR 69 Ca 0.51 0.29 0.02 0.00 -0.37 0.00 0.00 57.07 57.53 1rk4 s TYR 69 Cb -0.10 -2.56 0.63 0.00 -0.40 0.00 0.00 41.96 39.53 1rk4 s TYR 69 CO 0.41 -0.63 1.98 0.78 -1.57 0.00 0.00 175.55 176.52 1rk4 h GLY 70 N 0.14 0.99 -2.67 0.71 0.00 -1.98 -2.74 103.07 97.52 1rk4 h GLY 70 Ca -0.45 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.53 1rk4 h GLY 70 CO 0.57 0.31 0.00 -1.30 0.00 0.00 0.00 176.54 176.12 1rk4 n THR 71 N -4.45 1.04 -2.67 4.70 -2.24 -1.26 -4.97 114.28 104.42 1rk4 n THR 71 Ca 0.09 -0.98 -0.41 0.00 -2.27 0.00 0.00 64.05 60.48 1rk4 n THR 71 Cb 0.10 0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 68.74 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 -1.12 4.64 0.83 -0.78 2.12 -1.04 -5.03 118.70 118.32 1rk4 s GLU 72 Ca 0.48 1.51 -0.11 0.00 0.36 0.00 0.00 54.97 57.21 1rk4 s GLU 72 Cb 0.26 -3.37 0.09 0.00 0.26 0.00 0.00 34.13 31.37 1rk4 s GLU 72 CO 0.32 0.11 1.13 0.14 -0.54 0.00 0.00 175.26 176.42 1rk4 s VAL 73 N 0.22 2.60 -0.62 3.70 -7.23 -1.26 -4.93 120.40 112.89 1rk4 s VAL 73 Ca 0.49 0.21 0.13 0.00 -1.81 0.00 0.00 61.98 61.00 1rk4 s VAL 73 Cb -0.24 -2.49 0.68 0.00 0.56 0.00 0.00 36.38 34.88 1rk4 s VAL 73 CO 0.30 -0.24 1.54 1.41 -0.31 0.00 0.00 175.10 177.81 1rk4 n HIS 74 N -3.70 1.63 -2.45 2.82 -0.00 -1.26 -4.91 115.22 107.34 1rk4 n HIS 74 Ca 0.11 -0.58 -0.35 0.00 -0.00 0.00 0.00 57.72 56.90 1rk4 n HIS 74 Cb 0.52 -0.38 -0.02 0.00 -0.00 0.00 0.00 29.99 30.11 1rk4 n HIS 74 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 1rk4 s THR 75 N -2.29 3.58 -0.38 1.59 -4.23 -1.26 -4.95 115.64 107.69 1rk4 s THR 75 Ca 0.46 1.00 0.06 0.00 -1.18 0.00 0.00 61.69 62.03 1rk4 s THR 75 Cb 0.33 -3.41 0.17 0.00 1.34 0.00 0.00 72.50 70.94 1rk4 s THR 75 CO 0.16 -0.20 0.55 -0.62 -0.54 0.00 0.00 174.62 173.97 1rk4 s ASP 76 N -1.88 -0.72 0.06 3.99 2.15 -1.26 -5.08 116.67 113.93 1rk4 s ASP 76 Ca 0.68 -0.91 -0.26 0.00 0.43 0.00 0.00 52.55 52.50 1rk4 s ASP 76 Cb -0.19 1.55 -0.06 0.00 -0.30 0.00 0.00 42.92 43.92 1rk4 s ASP 76 CO 0.23 -0.21 0.80 0.42 -0.17 0.00 0.00 175.17 176.23 1rk4 s THR 77 N 1.84 4.67 -0.30 1.71 -4.23 -1.26 -5.03 115.64 113.05 1rk4 s THR 77 Ca 0.15 1.70 0.03 0.00 -1.18 0.00 0.00 61.69 62.40 1rk4 s THR 77 Cb -0.08 -4.15 0.08 0.00 1.34 0.00 0.00 72.50 69.69 1rk4 s THR 77 CO -0.09 0.37 -0.01 0.21 -0.54 0.00 0.00 174.62 174.57 1rk4 s ASN 78 N -0.13 4.46 0.36 3.99 3.84 -1.26 -4.85 114.94 121.35 1rk4 s ASN 78 Ca 0.40 -1.74 0.08 0.00 0.21 0.00 0.00 52.86 51.81 1rk4 s ASN 78 Cb -0.21 -1.46 0.69 0.00 -0.55 0.00 0.00 41.25 39.73 1rk4 s ASN 78 CO 0.24 -0.31 1.87 0.11 -2.79 0.00 0.00 177.10 176.23 1rk4 h LYS 79 N 7.76 0.30 -0.33 0.43 1.57 -1.96 -1.82 116.57 122.51 1rk4 h LYS 79 Ca -0.11 -0.08 -0.16 0.00 -1.87 0.00 0.00 60.65 58.43 1rk4 h LYS 79 Cb 1.03 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 1rk4 h LYS 79 CO 0.48 0.45 -0.42 0.82 -0.57 0.00 0.00 179.45 180.21 1rk4 h ILE 80 N 0.28 1.28 -0.27 1.86 2.04 -1.94 -0.58 117.51 120.18 1rk4 h ILE 80 Ca 0.06 -1.60 0.06 0.00 1.00 0.00 0.00 64.86 64.37 1rk4 h ILE 80 Cb 0.43 1.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 1rk4 h ILE 80 CO 0.03 0.53 -0.09 -0.08 0.00 0.00 0.00 178.15 178.54 1rk4 h GLU 81 N 0.67 -0.03 -0.71 2.37 4.81 -1.86 0.62 114.58 120.45 1rk4 h GLU 81 Ca 0.04 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 1rk4 h GLU 81 Cb 1.02 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.35 1rk4 h GLU 81 CO 0.10 -0.02 0.43 0.93 -0.73 0.00 0.00 179.01 179.72 1rk4 h GLU 82 N -0.03 0.78 -0.18 1.92 5.08 -1.09 -0.63 114.58 120.43 1rk4 h GLU 82 Ca 0.14 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1rk4 h GLU 82 Cb 0.23 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1rk4 h GLU 82 CO -0.30 0.51 0.11 0.35 -1.00 0.00 0.00 179.01 178.69 1rk4 h PHE 83 N 0.80 0.24 -0.56 4.33 3.57 -0.67 -2.07 116.94 122.57 1rk4 h PHE 83 Ca 0.31 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.73 1rk4 h PHE 83 Cb 0.12 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 1rk4 h PHE 83 CO -0.06 0.19 0.07 -0.07 -2.23 0.00 0.00 178.31 176.21 1rk4 h LEU 84 N 0.22 0.91 -1.14 0.59 3.38 -0.47 0.14 115.31 118.95 1rk4 h LEU 84 Ca 0.07 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 1rk4 h LEU 84 Cb 0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1rk4 h LEU 84 CO -0.01 0.96 0.05 -0.08 0.09 0.00 0.00 178.44 179.45 1rk4 h GLU 85 N 0.84 0.66 0.12 1.13 4.57 -1.04 0.08 114.58 120.94 1rk4 h GLU 85 Ca 0.17 -0.14 -0.29 0.00 -1.18 0.00 0.00 59.36 57.92 1rk4 h GLU 85 Cb 0.45 -0.10 0.03 0.00 -0.16 0.00 0.00 28.75 28.97 1rk4 h GLU 85 CO 0.02 0.64 -1.24 0.00 -1.18 0.00 0.00 179.01 177.25 1rk4 h ALA 86 N 1.43 0.03 0.01 2.92 0.00 -1.01 -3.38 119.26 119.25 1rk4 h ALA 86 Ca 0.14 -0.78 -0.34 0.00 0.00 0.00 0.00 54.91 53.92 1rk4 h ALA 86 Cb 0.32 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1rk4 h ALA 86 CO 0.01 0.73 -2.09 1.33 0.00 0.00 0.00 179.25 179.23 1rk4 n VAL 87 N -3.75 1.52 -3.00 0.00 0.24 0.01 -4.44 118.33 108.89 1rk4 n VAL 87 Ca -0.13 -0.80 -0.44 0.00 -2.04 0.00 0.00 64.34 60.93 1rk4 n VAL 87 Cb 0.99 -0.86 0.00 0.00 -1.47 0.00 0.00 33.84 32.50 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 -2.96 5.42 -4.49 1.34 4.77 0.01 -4.98 117.00 116.11 1rk4 n LEU 88 Ca -0.27 -4.63 -0.23 0.00 -0.03 0.00 0.00 56.01 50.85 1rk4 n LEU 88 Cb 1.10 -1.57 -0.11 0.00 -2.33 0.00 0.00 43.42 40.51 1rk4 n LEU 88 CO 0.43 0.95 -0.28 0.00 -1.33 0.00 0.00 177.39 177.15 1rk4 n PRO 90 N -0.75 1.06 0.16 0.00 -0.02 -0.45 -1.74 135.00 133.26 1rk4 n PRO 90 Ca -0.03 0.42 0.13 0.00 -2.02 0.00 0.00 63.50 62.00 1rk4 n PRO 90 Cb 0.67 -2.51 0.36 0.00 -0.02 0.00 0.00 33.50 31.99 1rk4 n PRO 90 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1rk4 h PRO 91 N 0.46 0.00 0.00 0.52 0.13 -2.01 -3.45 132.00 127.64 1rk4 h PRO 91 Ca -0.51 0.00 -0.08 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 0.52 0.00 -0.36 -0.09 -0.23 0.00 0.00 178.00 177.84 1rk4 h ARG 92 N 0.00 0.00 -4.39 0.86 2.43 -1.91 -3.44 114.38 107.93 1rk4 h ARG 92 Ca 0.00 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.93 1rk4 h ARG 92 Cb 0.77 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 30.11 1rk4 h ARG 92 CO 0.00 0.36 -0.72 0.71 -1.51 0.00 0.00 179.97 178.81 1rk4 s TYR 93 N -4.08 0.54 0.37 2.20 2.02 -0.71 -4.98 117.35 112.71 1rk4 s TYR 93 Ca -0.02 -0.50 -0.25 0.00 -0.37 0.00 0.00 57.07 55.92 1rk4 s TYR 93 Cb 0.14 -0.34 -0.09 0.00 -0.40 0.00 0.00 41.96 41.27 1rk4 s TYR 93 CO 0.71 -0.11 1.06 -1.25 -1.57 0.00 0.00 175.55 174.38 1rk4 s PRO 94 N -1.52 4.29 0.08 -1.71 0.04 -1.26 -1.34 135.00 133.58 1rk4 s PRO 94 Ca -0.12 1.58 -0.31 0.00 0.04 0.00 0.00 61.00 62.19 1rk4 s PRO 94 Cb -0.10 -2.71 -0.06 0.00 0.04 0.00 0.00 34.50 31.67 1rk4 s PRO 94 CO -0.00 -0.04 1.24 0.21 0.04 0.00 0.00 177.00 178.45 1rk4 s LYS 95 N -2.22 4.41 0.00 4.56 2.20 -1.26 -4.77 119.74 122.66 1rk4 s LYS 95 Ca 0.54 1.85 0.15 0.00 -0.36 0.00 0.00 55.97 58.15 1rk4 s LYS 95 Cb -0.24 -3.31 -0.09 0.00 -1.51 0.00 0.00 37.83 32.67 1rk4 s LYS 95 CO 0.31 -0.28 0.73 1.28 -0.36 0.00 0.00 175.35 177.02 1rk4 n LEU 96 N 3.81 1.12 -4.77 5.43 4.77 -1.26 -5.01 117.00 121.10 1rk4 n LEU 96 Ca 0.09 -0.62 -0.41 0.00 -0.03 0.00 0.00 56.01 55.04 1rk4 n LEU 96 Cb 0.45 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1rk4 n LEU 96 CO 0.56 0.24 1.06 0.00 -1.33 0.00 0.00 177.39 177.91 1rk4 s ALA 97 N -2.14 3.55 0.72 -1.18 0.00 -1.26 -0.39 121.76 121.06 1rk4 s ALA 97 Ca 0.09 1.37 -0.15 0.00 0.00 0.00 0.00 51.96 53.27 1rk4 s ALA 97 Cb 0.12 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.74 1rk4 s ALA 97 CO 0.51 -0.79 1.22 0.00 0.00 0.00 0.00 175.76 176.70 1rk4 s ALA 98 N -0.87 2.13 -0.08 0.00 0.00 -1.26 -4.84 121.76 116.85 1rk4 s ALA 98 Ca 0.52 0.93 0.02 0.00 0.00 0.00 0.00 51.96 53.44 1rk4 s ALA 98 Cb -0.42 -3.49 -0.25 0.00 0.00 0.00 0.00 23.12 18.96 1rk4 s ALA 98 CO 0.54 -1.87 0.53 -0.07 0.00 0.00 0.00 175.76 174.89 1rk4 h LEU 99 N -0.21 0.23 -9.00 0.00 3.38 -1.93 -3.45 115.31 104.32 1rk4 h LEU 99 Ca -0.48 -0.51 -0.62 0.00 0.09 0.00 0.00 57.88 56.36 1rk4 h LEU 99 Cb 1.30 -0.07 -0.14 0.00 0.09 0.00 0.00 40.66 41.84 1rk4 h LEU 99 CO 0.50 1.46 -0.29 0.20 0.09 0.00 0.00 178.44 180.39 1rk4 s ASN 100 N -6.61 6.26 0.42 -0.43 0.01 -1.26 -4.97 114.94 108.35 1rk4 s ASN 100 Ca -0.14 0.29 0.13 0.00 -0.71 0.00 0.00 52.86 52.43 1rk4 s ASN 100 Cb 0.07 -2.19 0.99 0.00 0.41 0.00 0.00 41.25 40.53 1rk4 s ASN 100 CO 0.80 -0.11 1.96 -0.65 -1.51 0.00 0.00 177.10 177.58 1rk4 h PRO 101 N 7.91 0.45 -0.29 -0.60 0.11 -2.03 -1.23 132.00 136.33 1rk4 h PRO 101 Ca -0.34 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.83 1rk4 h PRO 101 Cb 1.17 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1rk4 h PRO 101 CO 0.65 0.30 0.23 0.93 -0.21 0.00 0.00 178.00 179.91 1rk4 h GLU 102 N 0.47 0.00 0.00 1.05 3.07 -2.00 -1.47 114.58 115.70 1rk4 h GLU 102 Ca 0.31 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.12 1rk4 h GLU 102 Cb 0.59 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 1rk4 h GLU 102 CO -0.10 0.00 -0.25 0.77 -1.40 0.00 0.00 179.01 178.04 1rk4 h SER 103 N 0.00 0.00 1.07 1.42 0.02 -1.54 -1.53 113.55 112.99 1rk4 h SER 103 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1rk4 h SER 103 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1rk4 h SER 103 CO -0.00 0.25 -0.02 0.59 -1.14 0.00 0.00 176.83 176.50 1rk4 n ASN 104 N -4.01 0.18 0.00 3.07 3.02 -0.55 -3.34 115.26 113.62 1rk4 n ASN 104 Ca -0.02 0.49 0.00 0.00 -0.03 0.00 0.00 54.58 55.02 1rk4 n ASN 104 Cb 0.32 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 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 -1.65 0.00 -1.79 3.41 -2.24 -1.05 -4.92 114.28 106.04 1rk4 n THR 105 Ca 0.07 -0.49 -0.42 0.00 -2.27 0.00 0.00 64.05 60.93 1rk4 n THR 105 Cb 0.36 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.56 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 -0.87 3.78 0.00 6.98 0.00 -0.60 -2.44 121.76 128.61 1rk4 s ALA 106 Ca 0.00 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1rk4 s ALA 106 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1rk4 s ALA 106 CO 0.00 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.08 1rk4 n GLY 107 N 4.08 0.71 0.28 0.00 0.00 -1.26 -4.89 105.19 104.11 1rk4 n GLY 107 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.73 0.99 3.38 -1.84 -2.02 115.31 115.10 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 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1rk4 h LEU 108 CO 0.00 0.06 -0.08 -0.90 0.09 0.00 0.00 178.44 177.61 1rk4 n ASP 109 N -3.78 1.22 -0.08 -0.43 5.75 -1.26 -4.30 116.55 113.67 1rk4 n ASP 109 Ca -0.02 -1.24 -0.12 0.00 -0.01 0.00 0.00 54.79 53.39 1rk4 n ASP 109 Cb 0.16 0.03 -0.05 0.00 -1.03 0.00 0.00 41.12 40.23 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 1.79 1.31 -0.54 2.12 2.04 -1.71 -0.74 117.51 121.77 1rk4 h ILE 110 Ca 0.00 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.60 1rk4 h ILE 110 Cb 0.47 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 1rk4 h ILE 110 CO 0.00 0.38 0.29 0.15 0.00 0.00 0.00 178.15 178.97 1rk4 h PHE 111 N 0.21 0.72 -0.11 1.37 3.57 -1.77 0.80 116.94 121.73 1rk4 h PHE 111 Ca 0.05 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1rk4 h PHE 111 Cb 0.66 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 1rk4 h PHE 111 CO 0.07 0.51 0.04 0.00 -2.23 0.00 0.00 178.31 176.69 1rk4 h ALA 112 N 1.57 0.14 -0.35 2.41 0.00 -1.74 0.15 119.26 121.45 1rk4 h ALA 112 Ca 0.19 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1rk4 h ALA 112 Cb 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1rk4 h ALA 112 CO -0.03 -0.25 -0.08 0.87 0.00 0.00 0.00 179.25 179.76 1rk4 h LYS 113 N -0.00 0.58 -0.52 0.00 1.79 -0.64 -1.47 116.57 116.32 1rk4 h LYS 113 Ca 0.04 -0.16 -0.01 0.00 -2.18 0.00 0.00 60.65 58.34 1rk4 h LYS 113 Cb 0.20 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 1rk4 h LYS 113 CO -0.00 0.66 0.29 0.35 -1.08 0.00 0.00 179.45 179.67 1rk4 h PHE 114 N 0.54 0.71 -0.20 -1.35 3.57 -0.73 -1.61 116.94 117.87 1rk4 h PHE 114 Ca 0.10 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1rk4 h PHE 114 Cb 0.47 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1rk4 h PHE 114 CO 0.02 0.52 0.12 0.77 -2.23 0.00 0.00 178.31 177.51 1rk4 h SER 115 N 0.69 0.25 -0.59 0.41 0.02 0.01 0.54 113.55 114.89 1rk4 h SER 115 Ca 0.18 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 1rk4 h SER 115 Cb 0.04 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 1rk4 h SER 115 CO -0.03 0.25 0.11 0.00 -1.14 0.00 0.00 176.83 176.02 1rk4 h ALA 116 N 1.01 1.02 -0.29 3.77 0.00 -1.23 -1.41 119.26 122.14 1rk4 h ALA 116 Ca 0.07 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1rk4 h ALA 116 Cb 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1rk4 h ALA 116 CO -0.01 0.63 0.04 -0.92 0.00 0.00 0.00 179.25 178.98 1rk4 h TYR 117 N 0.95 0.51 0.00 0.00 3.20 -0.85 -3.07 116.97 117.71 1rk4 h TYR 117 Ca 0.19 -0.08 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 1rk4 h TYR 117 Cb 0.40 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1rk4 h TYR 117 CO 0.03 0.59 -0.51 0.97 -1.64 0.00 0.00 178.16 177.60 1rk4 h ILE 118 N 0.29 0.31 0.00 1.81 6.09 -0.83 -3.21 117.51 121.98 1rk4 h ILE 118 Ca 0.09 -1.47 -0.01 0.00 -1.37 0.00 0.00 64.86 62.10 1rk4 h ILE 118 Cb 0.36 2.03 -0.00 0.00 0.47 0.00 0.00 36.82 39.67 1rk4 h ILE 118 CO 0.01 0.18 -0.05 0.11 -3.07 0.00 0.00 178.15 175.32 1rk4 h LYS 119 N 0.00 0.00 -6.48 2.19 1.57 -1.30 -3.45 116.57 109.09 1rk4 h LYS 119 Ca -0.02 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.23 1rk4 h LYS 119 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1rk4 h LYS 119 CO 0.02 0.05 0.45 1.21 -0.57 0.00 0.00 179.45 180.62 1rk4 s ASN 120 N -6.21 7.26 0.00 0.86 2.47 -1.16 -4.92 114.94 113.24 1rk4 s ASN 120 Ca 0.06 1.86 0.05 0.00 0.42 0.00 0.00 52.86 55.25 1rk4 s ASN 120 Cb 0.06 -2.58 0.02 0.00 -1.45 0.00 0.00 41.25 37.30 1rk4 s ASN 120 CO 0.67 -0.31 0.57 -1.54 -3.72 0.00 0.00 177.10 172.77 1rk4 n SER 121 N 3.60 1.20 -4.61 -4.21 3.41 -1.26 -4.96 113.62 106.78 1rk4 n SER 121 Ca 0.06 -1.10 -0.43 0.00 -0.26 0.00 0.00 58.87 57.14 1rk4 n SER 121 Cb 0.48 0.20 -0.02 0.00 -0.26 0.00 0.00 64.21 64.61 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 -0.63 6.57 0.56 4.04 3.84 -1.26 -4.94 114.94 123.11 1rk4 s ASN 122 Ca 0.05 0.80 0.24 0.00 0.21 0.00 0.00 52.86 54.17 1rk4 s ASN 122 Cb 0.04 -2.54 1.54 0.00 -0.55 0.00 0.00 41.25 39.74 1rk4 s ASN 122 CO 0.09 -1.25 2.15 -0.65 -2.79 0.00 0.00 177.10 174.66 1rk4 h PRO 123 N 9.65 0.00 0.00 0.43 0.11 -2.02 -1.53 132.00 138.65 1rk4 h PRO 123 Ca -0.25 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.80 1rk4 h PRO 123 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1rk4 h PRO 123 CO 1.08 0.00 -0.29 0.00 -0.21 0.00 0.00 178.00 178.59 1rk4 h ALA 124 N 1.91 1.50 -0.02 -0.75 0.00 -2.02 -2.91 119.26 116.97 1rk4 h ALA 124 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1rk4 h ALA 124 Cb 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1rk4 h ALA 124 CO -0.00 0.36 -0.05 1.28 0.00 0.00 0.00 179.25 180.83 1rk4 n LEU 125 N -4.16 1.88 0.10 0.00 4.32 -0.58 -4.52 117.00 114.03 1rk4 n LEU 125 Ca -0.02 -0.62 -0.02 0.00 -0.02 0.00 0.00 56.01 55.33 1rk4 n LEU 125 Cb 0.34 -0.01 0.24 0.00 -1.62 0.00 0.00 43.42 42.37 1rk4 n LEU 125 CO 0.37 0.32 0.67 -1.13 -1.22 0.00 0.00 177.39 176.40 1rk4 h ASN 126 N 2.87 0.25 0.09 -1.43 -0.73 -1.50 -2.57 115.58 112.56 1rk4 h ASN 126 Ca 0.00 -0.10 -0.27 0.00 1.87 0.00 0.00 56.30 57.80 1rk4 h ASN 126 Cb 0.65 -0.07 0.02 0.00 0.27 0.00 0.00 38.32 39.19 1rk4 h ASN 126 CO 0.00 0.61 -1.08 0.44 -0.37 0.00 0.00 177.43 177.03 1rk4 h ASP 127 N 0.21 0.84 -0.31 1.15 5.19 -1.79 -1.09 116.42 120.61 1rk4 h ASP 127 Ca 0.02 -0.70 -0.08 0.00 -0.62 0.00 0.00 57.03 55.65 1rk4 h ASP 127 Cb 0.76 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 1rk4 h ASP 127 CO 0.06 1.51 -0.10 0.78 -3.12 0.00 0.00 179.24 178.36 1rk4 h ASN 128 N 0.34 0.63 -0.60 6.45 2.35 -1.84 -2.16 115.58 120.74 1rk4 h ASN 128 Ca -0.14 -0.38 -0.06 0.00 -0.55 0.00 0.00 56.30 55.18 1rk4 h ASN 128 Cb 1.74 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.91 1rk4 h ASN 128 CO 0.21 0.87 0.17 -0.07 -1.65 0.00 0.00 177.43 176.95 1rk4 h LEU 129 N 0.38 0.92 -0.59 1.61 3.38 -1.45 -1.86 115.31 117.70 1rk4 h LEU 129 Ca 0.08 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1rk4 h LEU 129 Cb 0.60 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1rk4 h LEU 129 CO 0.04 0.88 0.16 -0.08 0.09 0.00 0.00 178.44 179.53 1rk4 h GLU 130 N 0.94 0.93 -0.41 1.13 4.81 -1.09 -2.32 114.58 118.56 1rk4 h GLU 130 Ca 0.20 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1rk4 h GLU 130 Cb 0.31 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1rk4 h GLU 130 CO -0.00 0.84 0.08 0.87 -0.73 0.00 0.00 179.01 180.07 1rk4 h LYS 131 N 0.84 0.62 -0.46 1.92 1.57 -1.10 0.84 116.57 120.80 1rk4 h LYS 131 Ca 0.19 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1rk4 h LYS 131 Cb 0.32 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1rk4 h LYS 131 CO -0.00 0.59 0.27 0.78 -0.57 0.00 0.00 179.45 180.51 1rk4 h GLY 132 N 0.85 0.69 0.90 3.86 0.00 -0.95 0.12 103.07 108.53 1rk4 h GLY 132 Ca 0.14 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 1rk4 h GLY 132 CO 0.00 0.29 -0.10 -2.00 0.00 0.00 0.00 176.54 174.73 1rk4 h LEU 133 N 0.61 0.61 -0.99 3.11 5.85 -0.99 -2.38 115.31 121.14 1rk4 h LEU 133 Ca 0.16 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.54 1rk4 h LEU 133 Cb 0.03 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 1rk4 h LEU 133 CO -0.03 0.85 0.65 -0.07 -0.34 0.00 0.00 178.44 179.50 1rk4 h LEU 134 N 0.36 1.09 -0.50 2.25 3.38 -0.62 -1.24 115.31 120.03 1rk4 h LEU 134 Ca 0.07 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1rk4 h LEU 134 Cb 0.59 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1rk4 h LEU 134 CO 0.03 0.75 -0.24 0.50 0.09 0.00 0.00 178.44 179.58 1rk4 h LYS 135 N 1.27 0.97 -0.26 1.13 3.64 -0.63 0.36 116.57 123.04 1rk4 h LYS 135 Ca 0.39 -0.42 -0.14 0.00 -1.27 0.00 0.00 60.65 59.20 1rk4 h LYS 135 Cb -0.02 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1rk4 h LYS 135 CO -0.12 1.09 -0.42 0.00 -2.27 0.00 0.00 179.45 177.74 1rk4 h ALA 136 N 0.88 0.78 -0.70 5.00 0.00 -1.20 0.03 119.26 124.06 1rk4 h ALA 136 Ca 0.10 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1rk4 h ALA 136 Cb 0.82 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1rk4 h ALA 136 CO 0.07 0.66 0.31 -0.07 0.00 0.00 0.00 179.25 180.22 1rk4 h LEU 137 N 0.52 0.91 -0.31 0.00 3.38 -0.77 -2.52 115.31 116.53 1rk4 h LEU 137 Ca 0.04 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.71 1rk4 h LEU 137 Cb 0.94 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1rk4 h LEU 137 CO 0.08 0.79 -0.58 0.50 0.09 0.00 0.00 178.44 179.32 1rk4 h LYS 138 N 1.00 0.82 -0.57 1.13 1.63 -0.21 -0.60 116.57 119.77 1rk4 h LYS 138 Ca 0.24 -0.54 0.06 0.00 -0.85 0.00 0.00 60.65 59.56 1rk4 h LYS 138 Cb 0.13 0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.78 1rk4 h LYS 138 CO -0.03 1.17 0.28 0.28 -3.45 0.00 0.00 179.45 177.70 1rk4 h VAL 139 N 0.62 0.92 -0.30 2.00 2.07 -0.87 -1.14 116.25 119.55 1rk4 h VAL 139 Ca 0.00 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1rk4 h VAL 139 Cb 1.18 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1rk4 h VAL 139 CO 0.13 0.10 0.18 0.25 0.02 0.00 0.00 177.57 178.24 1rk4 h LEU 140 N 0.52 0.30 -0.75 2.57 5.85 -1.26 -1.84 115.31 120.70 1rk4 h LEU 140 Ca 0.26 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 59.05 1rk4 h LEU 140 Cb 0.20 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 1rk4 h LEU 140 CO -0.20 0.22 0.42 -0.78 -0.34 0.00 0.00 178.44 177.77 1rk4 h ASP 141 N 0.37 0.62 -0.69 1.25 3.58 -0.52 -1.31 116.42 119.72 1rk4 h ASP 141 Ca 0.12 0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.53 1rk4 h ASP 141 Cb -0.01 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 1rk4 h ASP 141 CO -0.05 0.38 0.15 0.78 -2.88 0.00 0.00 179.24 177.62 1rk4 h ASN 142 N 0.75 1.07 -0.95 2.28 2.35 -0.95 -1.35 115.58 118.78 1rk4 h ASN 142 Ca 0.35 -0.24 0.03 0.00 -0.55 0.00 0.00 56.30 55.89 1rk4 h ASN 142 Cb 0.26 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.30 1rk4 h ASN 142 CO -0.21 1.04 0.63 0.22 -1.65 0.00 0.00 177.43 177.45 1rk4 h TYR 143 N 1.06 1.17 0.00 1.19 3.20 -0.47 -1.95 116.97 121.18 1rk4 h TYR 143 Ca 0.22 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.04 1rk4 h TYR 143 Cb 0.40 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1rk4 h TYR 143 CO 0.03 0.70 -0.38 -0.07 -1.64 0.00 0.00 178.16 176.80 1rk4 h LEU 144 N 1.23 0.00 -0.40 2.82 3.38 -0.63 -3.25 115.31 118.46 1rk4 h LEU 144 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1rk4 h LEU 144 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1rk4 h LEU 144 CO -0.10 0.38 -0.71 0.35 0.09 0.00 0.00 178.44 178.44 1rk4 n THR 145 N -3.49 0.00 -3.31 0.22 -2.24 -0.57 -4.61 114.28 100.28 1rk4 n THR 145 Ca 0.00 -0.14 -0.38 0.00 -2.27 0.00 0.00 64.05 61.26 1rk4 n THR 145 Cb 0.53 1.10 -0.06 0.00 -2.10 0.00 0.00 70.33 69.80 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 -2.60 6.71 0.31 3.42 0.01 -0.75 -0.61 113.70 120.19 1rk4 s SER 146 Ca 0.11 0.85 -0.29 0.00 1.31 0.00 0.00 55.95 57.93 1rk4 s SER 146 Cb 0.15 -2.29 -0.12 0.00 0.21 0.00 0.00 66.02 63.97 1rk4 s SER 146 CO 0.68 0.02 1.41 -2.65 0.41 0.00 0.00 173.24 173.11 1rk4 n PRO 147 N 3.51 2.30 -1.81 12.44 -0.02 -1.26 -4.67 135.00 145.49 1rk4 n PRO 147 Ca -0.07 0.81 -0.30 0.00 -2.02 0.00 0.00 63.50 61.92 1rk4 n PRO 147 Cb 0.52 -2.48 0.05 0.00 -0.02 0.00 0.00 33.50 31.57 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 -0.77 2.89 0.27 2.45 1.43 -1.26 -4.93 118.68 118.76 1rk4 s LEU 148 Ca 0.60 1.21 -0.03 0.00 -1.03 0.00 0.00 54.13 54.89 1rk4 s LEU 148 Cb -0.56 -4.01 0.58 0.00 0.03 0.00 0.00 46.19 42.23 1rk4 s LEU 148 CO 0.56 -1.41 1.63 -0.65 0.23 0.00 0.00 176.35 176.72 1rk4 h PRO 149 N -0.70 0.12 0.00 1.29 0.11 -1.98 0.68 132.00 131.53 1rk4 h PRO 149 Ca -0.45 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1rk4 h PRO 149 Cb 1.25 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1rk4 h PRO 149 CO 0.63 0.08 -0.01 1.49 -0.21 0.00 0.00 178.00 179.98 1rk4 h GLU 150 N 0.12 0.00 -0.06 1.05 4.22 -1.96 -2.43 114.58 115.52 1rk4 h GLU 150 Ca 0.49 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.93 1rk4 h GLU 150 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1rk4 h GLU 150 CO -0.70 0.01 0.00 0.39 -2.18 0.00 0.00 179.01 176.52 1rk4 n GLU 151 N -3.64 1.44 -0.30 1.92 1.02 0.23 -4.54 120.64 116.76 1rk4 n GLU 151 Ca -0.03 -0.65 0.04 0.00 -0.02 0.00 0.00 57.16 56.50 1rk4 n GLU 151 Cb 0.09 -1.41 0.18 0.00 -0.02 0.00 0.00 31.44 30.28 1rk4 n GLU 151 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1rk4 h VAL 152 N 1.41 0.89 -0.47 2.62 3.04 -1.48 0.32 116.25 122.58 1rk4 h VAL 152 Ca 0.00 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 1rk4 h VAL 152 Cb 0.30 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 29.61 1rk4 h VAL 152 CO 0.00 0.15 0.00 0.47 -1.01 0.00 0.00 177.57 177.18 1rk4 n ASP 153 N -4.74 4.59 -4.91 3.17 8.00 -1.26 -4.97 116.55 116.42 1rk4 n ASP 153 Ca 0.15 -2.73 -0.27 0.00 0.71 0.00 0.00 54.79 52.65 1rk4 n ASP 153 Cb 0.30 -0.56 -0.00 0.00 -0.02 0.00 0.00 41.12 40.84 1rk4 n ASP 153 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1rk4 s GLU 154 N -2.35 3.53 -0.18 -1.24 2.02 0.10 -5.07 118.70 115.50 1rk4 s GLU 154 Ca 0.46 0.12 -0.03 0.00 0.02 0.00 0.00 54.97 55.54 1rk4 s GLU 154 Cb 0.34 -2.42 -0.02 0.00 0.10 0.00 0.00 34.13 32.13 1rk4 s GLU 154 CO 0.16 -0.16 -0.05 0.99 0.02 0.00 0.00 175.26 176.22 1rk4 s THR 155 N -2.68 3.51 0.59 3.63 2.01 -1.26 -4.98 115.64 116.46 1rk4 s THR 155 Ca 0.46 -0.47 -0.18 0.00 0.31 0.00 0.00 61.69 61.82 1rk4 s THR 155 Cb -0.10 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 1rk4 s THR 155 CO 0.44 0.46 1.11 -0.44 -0.69 0.00 0.00 174.62 175.50 1rk4 s SER 156 N 0.90 5.52 0.07 3.53 0.01 -1.26 -4.97 113.70 117.50 1rk4 s SER 156 Ca -0.01 2.07 -0.18 0.00 1.31 0.00 0.00 55.95 59.14 1rk4 s SER 156 Cb -0.15 -2.57 -0.11 0.00 0.21 0.00 0.00 66.02 63.41 1rk4 s SER 156 CO 0.01 -1.35 1.40 0.00 0.41 0.00 0.00 173.24 173.70 1rk4 h ALA 157 N 0.72 0.31 0.00 1.44 0.00 -1.97 -3.42 119.26 116.33 1rk4 h ALA 157 Ca -0.49 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1rk4 h ALA 157 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1rk4 h ALA 157 CO 0.56 0.21 -0.49 0.39 0.00 0.00 0.00 179.25 179.92 1rk4 n GLU 158 N -4.46 0.69 -4.67 0.00 1.02 -1.26 -5.07 120.64 106.88 1rk4 n GLU 158 Ca -0.05 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.80 1rk4 n GLU 158 Cb 0.38 -0.74 -0.17 0.00 -0.02 0.00 0.00 31.44 30.89 1rk4 n GLU 158 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1rk4 s ASP 159 N -2.96 2.58 0.28 1.62 1.01 -1.26 -5.10 116.67 112.83 1rk4 s ASP 159 Ca 0.00 -0.46 -0.30 0.00 0.71 0.00 0.00 52.55 52.50 1rk4 s ASP 159 Cb 0.00 -1.17 -0.11 0.00 1.01 0.00 0.00 42.92 42.65 1rk4 s ASP 159 CO 0.00 0.06 1.51 -0.70 0.21 0.00 0.00 175.17 176.25 1rk4 s GLU 160 N 0.78 4.20 -0.60 8.23 2.12 -1.26 -2.69 118.70 129.47 1rk4 s GLU 160 Ca -0.10 2.44 0.00 0.00 0.36 0.00 0.00 54.97 57.66 1rk4 s GLU 160 Cb -0.16 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.17 1rk4 s GLU 160 CO 0.01 -0.52 0.00 0.41 -0.54 0.00 0.00 175.26 174.63 1rk4 n GLY 161 N 2.09 0.80 3.66 -1.50 0.00 -1.26 -5.02 105.19 103.95 1rk4 n GLY 161 Ca 0.07 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.11 5.19 0.42 1.61 1.01 -1.10 -4.34 120.40 121.09 1rk4 s VAL 162 Ca 0.00 0.12 -0.25 0.00 0.00 0.00 0.00 61.98 61.85 1rk4 s VAL 162 Cb 0.00 -3.39 -0.08 0.00 0.00 0.00 0.00 36.38 32.91 1rk4 s VAL 162 CO 0.00 0.39 1.19 -0.55 0.00 0.00 0.00 175.10 176.13 1rk4 s SER 163 N 0.78 6.38 0.00 3.32 0.15 0.22 -4.64 113.70 119.90 1rk4 s SER 163 Ca 0.07 2.38 0.00 0.00 0.70 0.00 0.00 55.95 59.10 1rk4 s SER 163 Cb -0.13 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 1rk4 s SER 163 CO 0.02 -0.78 0.74 0.00 1.20 0.00 0.00 173.24 174.42 1rk4 n GLN 164 N -0.09 1.34 -1.07 5.44 10.64 -1.26 -4.74 117.38 127.64 1rk4 n GLN 164 Ca 0.05 -1.02 -0.34 0.00 -1.83 0.00 0.00 57.00 53.87 1rk4 n GLN 164 Cb 0.46 -0.92 0.12 0.00 -0.86 0.00 0.00 30.24 29.04 1rk4 n GLN 164 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 1rk4 n ARG 165 N -0.27 0.10 0.10 2.61 1.85 -1.26 -4.94 116.66 114.84 1rk4 n ARG 165 Ca 0.00 0.10 -0.21 0.00 -1.00 0.00 0.00 57.85 56.74 1rk4 n ARG 165 Cb 0.20 -2.20 -0.15 0.00 -1.05 0.00 0.00 32.46 29.26 1rk4 n ARG 165 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 1rk4 h LYS 166 N -0.95 0.40 0.00 2.89 1.57 -1.86 -3.48 116.57 115.14 1rk4 h LYS 166 Ca -0.45 -0.68 -0.14 0.00 -1.87 0.00 0.00 60.65 57.51 1rk4 h LYS 166 Cb 1.31 0.25 -0.03 0.00 0.08 0.00 0.00 32.23 33.84 1rk4 h LYS 166 CO 0.43 1.30 -0.11 1.19 -0.57 0.00 0.00 179.45 181.69 1rk4 n PHE 167 N -3.59 0.18 -0.23 -1.35 3.72 -0.20 -4.39 117.46 111.60 1rk4 n PHE 167 Ca -0.18 -0.58 0.00 0.00 -0.05 0.00 0.00 57.45 56.63 1rk4 n PHE 167 Cb 1.07 -0.05 0.12 0.00 -0.94 0.00 0.00 39.48 39.68 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 0.47 -1.52 4.37 3.38 -1.93 -3.22 115.31 116.87 1rk4 h LEU 168 Ca -0.09 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1rk4 h LEU 168 Cb 0.29 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1rk4 h LEU 168 CO 0.14 0.29 0.00 -0.67 0.09 0.00 0.00 178.44 178.29 1rk4 n ASP 169 N -4.84 1.79 0.00 -0.43 2.03 -1.26 -4.84 116.55 109.00 1rk4 n ASP 169 Ca 0.10 -1.42 0.00 0.00 0.52 0.00 0.00 54.79 53.99 1rk4 n ASP 169 Cb 0.23 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 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 0.41 0.17 0.84 0.27 0.00 -1.22 -4.85 105.19 100.82 1rk4 n GLY 170 Ca 0.05 -1.20 0.12 0.00 0.00 0.00 0.00 46.02 44.99 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 2.53 -4.34 1.61 3.02 -1.26 -1.04 115.26 115.79 1rk4 n ASN 171 Ca 0.00 -1.84 -0.29 0.00 -0.03 0.00 0.00 54.58 52.41 1rk4 n ASN 171 Cb 0.00 -0.14 -0.14 0.00 -0.61 0.00 0.00 39.78 38.89 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 -1.73 1.68 0.27 3.52 0.41 -1.26 -4.82 118.70 116.77 1rk4 s GLU 172 Ca 0.35 -1.13 -0.30 0.00 -0.41 0.00 0.00 54.97 53.48 1rk4 s GLU 172 Cb 0.20 -1.90 -0.10 0.00 -1.78 0.00 0.00 34.13 30.55 1rk4 s GLU 172 CO 0.30 0.48 1.36 -0.51 -0.49 0.00 0.00 175.26 176.40 1rk4 s LEU 173 N -1.37 4.41 0.48 1.80 1.43 -1.26 -4.72 118.68 119.45 1rk4 s LEU 173 Ca 0.12 2.61 0.02 0.00 -1.03 0.00 0.00 54.13 55.84 1rk4 s LEU 173 Cb -0.10 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 1rk4 s LEU 173 CO 0.03 -0.60 0.02 0.42 0.23 0.00 0.00 176.35 176.45 1rk4 s THR 174 N -0.38 1.14 0.32 5.49 -4.23 -1.26 -4.93 115.64 111.79 1rk4 s THR 174 Ca 0.55 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.12 1rk4 s THR 174 Cb -0.40 -2.27 0.31 0.00 1.34 0.00 0.00 72.50 71.48 1rk4 s THR 174 CO 0.45 0.00 1.82 -0.07 -0.54 0.00 0.00 174.62 176.29 1rk4 h LEU 175 N 1.46 0.76 -0.60 4.79 3.38 -1.05 -0.97 115.31 123.09 1rk4 h LEU 175 Ca -0.43 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1rk4 h LEU 175 Cb 1.30 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 1rk4 h LEU 175 CO 0.72 0.34 0.38 0.00 0.09 0.00 0.00 178.44 179.97 1rk4 h ALA 176 N 1.60 0.76 -0.32 1.53 0.00 -1.89 -1.93 119.26 119.02 1rk4 h ALA 176 Ca 0.51 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.33 1rk4 h ALA 176 Cb 0.76 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1rk4 h ALA 176 CO -0.29 0.22 0.03 -0.44 0.00 0.00 0.00 179.25 178.77 1rk4 h ASP 177 N 0.81 0.45 -0.59 0.00 3.32 -1.54 -1.96 116.42 116.91 1rk4 h ASP 177 Ca 0.22 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1rk4 h ASP 177 Cb -0.06 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1rk4 h ASP 177 CO -0.04 0.49 0.34 0.00 -1.72 0.00 0.00 179.24 178.31 1rk4 h ASN 179 N 0.84 0.54 -0.00 0.00 -1.24 -1.28 -3.36 115.58 111.08 1rk4 h ASN 179 Ca 0.22 -0.87 -0.12 0.00 0.71 0.00 0.00 56.30 56.24 1rk4 h ASN 179 Cb 0.01 -0.17 0.01 0.00 0.73 0.00 0.00 38.32 38.90 1rk4 h ASN 179 CO -0.04 1.36 -0.47 0.25 -1.29 0.00 0.00 177.43 177.24 1rk4 h LEU 180 N -0.19 0.42 -0.66 0.34 5.85 -1.11 -3.34 115.31 116.62 1rk4 h LEU 180 Ca -0.12 -0.76 -0.02 0.00 0.84 0.00 0.00 57.88 57.81 1rk4 h LEU 180 Cb 1.56 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.43 1rk4 h LEU 180 CO 0.15 1.13 0.33 -0.07 -0.34 0.00 0.00 178.44 179.64 1rk4 h LEU 181 N -0.24 0.85 -1.13 2.25 3.38 -1.29 0.36 115.31 119.48 1rk4 h LEU 181 Ca -0.06 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 57.87 1rk4 h LEU 181 Cb 1.20 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.67 1rk4 h LEU 181 CO 0.09 0.73 0.60 -0.65 0.09 0.00 0.00 178.44 179.30 1rk4 h PRO 182 N 0.91 0.98 -0.20 1.13 0.11 -1.75 0.63 132.00 133.80 1rk4 h PRO 182 Ca 0.23 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.18 1rk4 h PRO 182 Cb 0.10 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 30.98 1rk4 h PRO 182 CO -0.03 0.65 -0.28 0.87 -0.21 0.00 0.00 178.00 178.99 1rk4 h LYS 183 N 1.01 0.54 -0.83 1.05 1.57 -1.50 -1.44 116.57 116.96 1rk4 h LYS 183 Ca 0.41 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1rk4 h LYS 183 Cb 0.27 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 1rk4 h LYS 183 CO -0.17 0.91 0.42 -0.07 -0.57 0.00 0.00 179.45 179.98 1rk4 h LEU 184 N 0.20 1.07 -0.41 2.94 3.38 -0.57 0.88 115.31 122.80 1rk4 h LEU 184 Ca 0.02 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1rk4 h LEU 184 Cb 0.86 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1rk4 h LEU 184 CO 0.07 0.89 0.09 -0.74 0.09 0.00 0.00 178.44 178.83 1rk4 h HIS 185 N 1.18 0.70 -0.31 1.13 2.76 -0.77 -1.06 115.15 118.77 1rk4 h HIS 185 Ca 0.29 -0.09 0.02 0.00 -2.20 0.00 0.00 60.37 58.39 1rk4 h HIS 185 Cb 0.08 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 28.82 1rk4 h HIS 185 CO 0.01 0.67 0.15 0.82 -1.30 0.00 0.00 177.93 178.29 1rk4 h ILE 186 N 0.53 0.98 -0.42 6.26 2.04 -0.78 -1.37 117.51 124.75 1rk4 h ILE 186 Ca 0.13 -0.11 0.09 0.00 1.00 0.00 0.00 64.86 65.96 1rk4 h ILE 186 Cb 0.33 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 36.96 1rk4 h ILE 186 CO 0.00 0.06 -0.14 0.58 0.00 0.00 0.00 178.15 178.65 1rk4 h VAL 187 N 0.32 0.51 -0.35 1.67 2.07 -0.39 -1.42 116.25 118.65 1rk4 h VAL 187 Ca 0.13 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 1rk4 h VAL 187 Cb 0.05 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1rk4 h VAL 187 CO -0.09 0.00 0.16 1.56 0.02 0.00 0.00 177.57 179.21 1rk4 h GLN 188 N -0.05 0.52 -0.22 1.57 4.20 -0.80 -0.36 115.11 119.97 1rk4 h GLN 188 Ca 0.20 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 1rk4 h GLN 188 Cb 0.36 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1rk4 h GLN 188 CO -0.46 0.49 0.02 0.28 -0.67 0.00 0.00 178.83 178.49 1rk4 h VAL 189 N 0.43 1.24 -0.10 -0.54 2.07 -1.00 -0.98 116.25 117.35 1rk4 h VAL 189 Ca 0.12 -0.79 -0.13 0.00 0.82 0.00 0.00 66.70 66.72 1rk4 h VAL 189 Cb 0.15 1.34 0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1rk4 h VAL 189 CO -0.01 0.25 -0.43 0.58 0.02 0.00 0.00 177.57 177.98 1rk4 h VAL 190 N 0.15 1.38 -0.68 2.57 2.07 -1.22 -1.61 116.25 118.91 1rk4 h VAL 190 Ca 0.06 -1.76 -0.01 0.00 0.82 0.00 0.00 66.70 65.81 1rk4 h VAL 190 Cb 0.34 2.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.27 1rk4 h VAL 190 CO 0.01 0.52 0.37 0.00 0.02 0.00 0.00 177.57 178.49 1rk4 h LYS 192 N 0.94 0.07 0.37 0.00 3.64 -1.00 -0.53 116.57 120.07 1rk4 h LYS 192 Ca 0.24 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1rk4 h LYS 192 Cb 0.04 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1rk4 h LYS 192 CO -0.04 0.26 -0.19 -0.22 -2.27 0.00 0.00 179.45 176.99 1rk4 h LYS 193 N -0.13 -0.51 -0.00 1.90 1.63 -1.29 -2.72 116.57 115.45 1rk4 h LYS 193 Ca 0.01 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1rk4 h LYS 193 Cb 0.22 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1rk4 h LYS 193 CO -0.00 -0.34 -0.91 0.66 -3.45 0.00 0.00 179.45 175.41 1rk4 n TYR 194 N -5.32 0.00 -0.08 1.91 4.02 -0.15 -4.50 117.16 113.03 1rk4 n TYR 194 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 1rk4 n TYR 194 Cb 0.23 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 1rk4 n TYR 194 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1rk4 n ARG 195 N -1.25 1.49 -2.30 -0.72 5.12 -0.28 -5.01 116.66 113.71 1rk4 n ARG 195 Ca 0.05 -0.01 -0.20 0.00 -1.93 0.00 0.00 57.85 55.76 1rk4 n ARG 195 Cb 0.35 -0.17 -0.02 0.00 -1.16 0.00 0.00 32.46 31.46 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 0.22 -0.20 3.71 -0.13 0.00 -0.76 -4.98 105.19 103.05 1rk4 n GLY 196 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.95 3.41 0.21 1.61 2.19 -0.93 -4.94 117.98 116.57 1rk4 s PHE 197 Ca 0.00 0.47 0.11 0.00 0.33 0.00 0.00 56.93 57.84 1rk4 s PHE 197 Cb 0.00 -2.32 -0.05 0.00 -1.31 0.00 0.00 43.02 39.35 1rk4 s PHE 197 CO 0.00 0.18 -0.20 0.95 1.83 0.00 0.00 175.22 177.98 1rk4 s THR 198 N 0.67 2.53 -0.02 0.12 -4.23 -1.26 -2.79 115.64 110.67 1rk4 s THR 198 Ca 0.13 -2.05 -0.30 0.00 -1.18 0.00 0.00 61.69 58.29 1rk4 s THR 198 Cb -0.13 -2.25 -0.06 0.00 1.34 0.00 0.00 72.50 71.40 1rk4 s THR 198 CO 0.03 -0.18 1.55 -0.63 -0.54 0.00 0.00 174.62 174.85 1rk4 s ILE 199 N -1.87 3.54 0.24 2.99 1.01 -1.26 -4.93 121.20 120.92 1rk4 s ILE 199 Ca 0.24 0.82 -0.29 0.00 0.00 0.00 0.00 60.65 61.42 1rk4 s ILE 199 Cb -0.07 -3.53 -0.15 0.00 0.01 0.00 0.00 42.46 38.72 1rk4 s ILE 199 CO 0.12 -0.04 0.98 -2.65 0.00 0.00 0.00 174.94 173.35 1rk4 n PRO 200 N 6.21 1.09 0.29 2.79 -0.02 -1.26 -4.84 135.00 139.27 1rk4 n PRO 200 Ca 0.15 0.38 0.20 0.00 -2.02 0.00 0.00 63.50 62.22 1rk4 n PRO 200 Cb 0.43 -1.73 0.98 0.00 -0.02 0.00 0.00 33.50 33.15 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 2.21 0.00 0.00 -0.52 4.39 -2.04 -1.97 114.58 116.65 1rk4 h GLU 201 Ca -0.39 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.30 1rk4 h GLU 201 Cb 1.36 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1rk4 h GLU 201 CO 0.62 0.00 -0.06 0.00 -1.16 0.00 0.00 179.01 178.42 1rk4 h ALA 202 N 2.01 1.07 -0.69 3.43 0.00 -2.02 -3.29 119.26 119.78 1rk4 h ALA 202 Ca 0.00 -0.05 -0.69 0.00 0.00 0.00 0.00 54.91 54.17 1rk4 h ALA 202 Cb 0.15 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 1rk4 h ALA 202 CO 0.00 0.07 2.39 1.19 0.00 0.00 0.00 179.25 182.90 1rk4 n PHE 203 N -3.26 4.39 0.09 0.00 3.72 -0.74 -4.76 117.46 116.90 1rk4 n PHE 203 Ca -0.01 -2.90 -0.03 0.00 -0.05 0.00 0.00 57.45 54.47 1rk4 n PHE 203 Cb 0.25 -2.59 0.20 0.00 -0.94 0.00 0.00 39.48 36.40 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 7.15 0.23 -0.17 -1.08 2.47 -1.84 -1.61 114.38 119.53 1rk4 h ARG 204 Ca 0.47 -0.12 -0.03 0.00 -1.26 0.00 0.00 59.98 59.04 1rk4 h ARG 204 Cb 0.81 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.13 1rk4 h ARG 204 CO 1.56 0.65 -0.02 0.78 0.56 0.00 0.00 179.97 183.50 1rk4 h GLY 205 N 1.30 0.34 1.00 0.04 0.00 -1.86 -0.32 103.07 103.57 1rk4 h GLY 205 Ca 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1rk4 h GLY 205 CO 0.07 0.24 0.36 -2.08 0.00 0.00 0.00 176.54 175.13 1rk4 h VAL 206 N 0.04 1.20 -0.46 4.60 2.07 -1.82 -1.16 116.25 120.73 1rk4 h VAL 206 Ca 0.05 -0.49 -0.10 0.00 0.82 0.00 0.00 66.70 66.97 1rk4 h VAL 206 Cb 0.42 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1rk4 h VAL 206 CO 0.01 0.22 -0.11 0.45 0.02 0.00 0.00 177.57 178.15 1rk4 h HIS 207 N 0.88 1.01 -0.47 1.57 -0.00 -1.25 -0.82 115.15 116.06 1rk4 h HIS 207 Ca 0.23 -0.22 0.05 0.00 -0.00 0.00 0.00 60.37 60.43 1rk4 h HIS 207 Cb 0.02 -0.25 -0.05 0.00 -0.00 0.00 0.00 27.41 27.14 1rk4 h HIS 207 CO -0.01 0.99 0.21 0.00 -0.00 0.00 0.00 177.93 179.12 1rk4 h ARG 208 N 0.74 0.40 0.11 2.45 3.08 -0.92 -0.89 114.38 119.36 1rk4 h ARG 208 Ca 0.12 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.16 1rk4 h ARG 208 Cb 0.66 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.58 1rk4 h ARG 208 CO 0.05 0.27 -0.29 -0.92 -1.07 0.00 0.00 179.97 178.00 1rk4 h TYR 209 N 0.42 -0.80 -0.58 3.04 3.20 -0.97 -0.17 116.97 121.10 1rk4 h TYR 209 Ca 0.21 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.04 1rk4 h TYR 209 Cb 0.16 0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.74 1rk4 h TYR 209 CO -0.12 -0.40 0.10 -0.07 -1.64 0.00 0.00 178.16 176.02 1rk4 h LEU 210 N -0.51 0.89 -0.56 2.82 3.38 -1.04 -0.97 115.31 119.32 1rk4 h LEU 210 Ca 0.03 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1rk4 h LEU 210 Cb 0.54 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1rk4 h LEU 210 CO -0.18 0.89 0.25 0.28 0.09 0.00 0.00 178.44 179.78 1rk4 h SER 211 N 0.88 0.75 -0.22 -0.43 0.02 -0.97 0.33 113.55 113.91 1rk4 h SER 211 Ca 0.18 -0.14 -0.10 0.00 -0.84 0.00 0.00 61.79 60.89 1rk4 h SER 211 Cb 0.39 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1rk4 h SER 211 CO 0.01 0.68 -0.20 0.78 -1.14 0.00 0.00 176.83 176.96 1rk4 h ASN 212 N 0.76 0.67 -0.06 3.07 2.35 -0.69 -2.82 115.58 118.86 1rk4 h ASN 212 Ca 0.19 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1rk4 h ASN 212 Cb 0.15 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 1rk4 h ASN 212 CO -0.02 0.87 -0.01 0.00 -1.65 0.00 0.00 177.43 176.62 1rk4 h ALA 213 N 1.19 0.08 0.00 -0.83 0.00 -0.97 -3.01 119.26 115.72 1rk4 h ALA 213 Ca 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1rk4 h ALA 213 Cb 0.67 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1rk4 h ALA 213 CO 0.05 -0.22 -0.03 1.88 0.00 0.00 0.00 179.25 180.93 1rk4 h TYR 214 N -0.21 0.00 -0.01 0.00 0.05 -0.86 -0.67 116.97 115.27 1rk4 h TYR 214 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1rk4 h TYR 214 Cb 0.38 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.12 1rk4 h TYR 214 CO 0.04 0.03 -0.03 0.00 -1.05 0.00 0.00 178.16 177.15 1rk4 n ALA 215 N -2.17 2.67 -2.86 3.88 0.00 -1.07 -4.57 120.51 116.39 1rk4 n ALA 215 Ca -0.02 -0.29 -0.36 0.00 0.00 0.00 0.00 53.44 52.77 1rk4 n ALA 215 Cb 0.14 -1.36 -0.11 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.16 3.86 0.40 0.00 1.81 -0.26 -4.99 118.95 117.61 1rk4 s ARG 216 Ca 0.39 -0.39 0.09 0.00 -1.72 0.00 0.00 55.73 54.10 1rk4 s ARG 216 Cb 0.21 -3.32 0.87 0.00 -0.45 0.00 0.00 34.95 32.26 1rk4 s ARG 216 CO 0.39 0.05 2.00 0.93 -0.68 0.00 0.00 175.30 177.99 1rk4 h GLU 217 N 7.48 0.57 -0.13 3.54 5.08 -1.87 0.07 114.58 129.31 1rk4 h GLU 217 Ca -0.37 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 57.98 1rk4 h GLU 217 Cb 1.17 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1rk4 h GLU 217 CO 0.64 0.37 0.09 0.93 -1.00 0.00 0.00 179.01 180.04 1rk4 h GLU 218 N 0.58 0.09 0.00 2.33 3.07 -1.94 0.27 114.58 118.99 1rk4 h GLU 218 Ca 0.25 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.96 1rk4 h GLU 218 Cb 0.23 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 1rk4 h GLU 218 CO -0.07 0.06 -0.88 0.35 -1.40 0.00 0.00 179.01 177.07 1rk4 h PHE 219 N 0.10 0.00 -0.62 4.33 3.57 -1.55 -3.36 116.94 119.40 1rk4 h PHE 219 Ca 0.06 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1rk4 h PHE 219 Cb 0.11 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 1rk4 h PHE 219 CO -0.00 1.07 0.29 0.00 -2.23 0.00 0.00 178.31 177.44 1rk4 h ALA 220 N -0.55 0.80 0.00 2.41 0.00 -0.68 -2.01 119.26 119.23 1rk4 h ALA 220 Ca -0.22 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1rk4 h ALA 220 Cb 1.05 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1rk4 h ALA 220 CO -0.13 0.37 0.00 0.43 0.00 0.00 0.00 179.25 179.92 1rk4 n SER 221 N -4.50 0.56 -0.76 0.00 7.64 0.90 -2.75 113.62 114.72 1rk4 n SER 221 Ca 0.04 0.60 0.08 0.00 1.01 0.00 0.00 58.87 60.60 1rk4 n SER 221 Cb 0.13 -0.73 0.13 0.00 -1.01 0.00 0.00 64.21 62.73 1rk4 n SER 221 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1rk4 n THR 222 N -2.07 0.41 -2.57 0.44 -2.24 -0.87 -4.96 114.28 102.41 1rk4 n THR 222 Ca 0.04 -0.70 -0.42 0.00 -2.27 0.00 0.00 64.05 60.69 1rk4 n THR 222 Cb 0.29 0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 69.49 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 1.36 4.03 0.88 0.00 0.04 -1.26 -4.99 135.00 135.05 1rk4 s PRO 224 Ca 0.54 2.00 -0.10 0.00 0.04 0.00 0.00 61.00 63.47 1rk4 s PRO 224 Cb -0.24 -2.73 0.12 0.00 0.04 0.00 0.00 34.50 31.69 1rk4 s PRO 224 CO 0.26 -0.39 1.12 0.16 0.04 0.00 0.00 177.00 178.20 1rk4 s ASP 225 N -0.93 3.37 0.35 6.66 -4.77 -1.26 -4.82 116.67 115.27 1rk4 s ASP 225 Ca 0.57 2.04 0.13 0.00 -3.30 0.00 0.00 52.55 51.98 1rk4 s ASP 225 Cb -0.34 -2.54 0.95 0.00 -1.09 0.00 0.00 42.92 39.90 1rk4 s ASP 225 CO 0.44 -2.79 1.76 0.44 0.70 0.00 0.00 175.17 175.71 1rk4 h ASP 226 N -1.66 0.60 -0.46 2.11 5.19 -2.00 -2.13 116.42 118.07 1rk4 h ASP 226 Ca -0.44 0.10 -0.10 0.00 -0.62 0.00 0.00 57.03 55.98 1rk4 h ASP 226 Cb 1.26 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.75 1rk4 h ASP 226 CO 0.45 0.14 -0.07 -0.33 -3.12 0.00 0.00 179.24 176.31 1rk4 h GLU 227 N 0.54 0.91 -0.64 3.56 5.08 -1.98 0.30 114.58 122.34 1rk4 h GLU 227 Ca 0.60 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.60 1rk4 h GLU 227 Cb 1.26 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 1rk4 h GLU 227 CO -0.37 0.94 0.14 1.49 -1.00 0.00 0.00 179.01 180.21 1rk4 h GLU 228 N 0.82 1.04 -0.01 2.33 4.57 -1.73 -1.46 114.58 120.14 1rk4 h GLU 228 Ca 0.14 -0.26 -0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1rk4 h GLU 228 Cb 0.58 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1rk4 h GLU 228 CO 0.04 0.94 0.00 0.82 -1.18 0.00 0.00 179.01 179.63 1rk4 h ILE 229 N 0.96 1.25 -0.43 2.32 2.04 -1.33 -1.65 117.51 120.66 1rk4 h ILE 229 Ca 0.20 -0.74 0.09 0.00 1.00 0.00 0.00 64.86 65.41 1rk4 h ILE 229 Cb 0.38 1.73 -0.08 0.00 -0.74 0.00 0.00 36.82 38.10 1rk4 h ILE 229 CO 0.01 0.19 -0.12 -0.33 0.00 0.00 0.00 178.15 177.90 1rk4 h GLU 230 N -0.29 -0.01 0.00 2.37 5.08 -0.38 -2.12 114.58 119.23 1rk4 h GLU 230 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1rk4 h GLU 230 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1rk4 h GLU 230 CO 0.00 -0.01 -0.49 -0.07 -1.00 0.00 0.00 179.01 177.44 1rk4 h LEU 231 N -0.01 0.00 -1.11 1.33 4.07 -1.24 -2.93 115.31 115.42 1rk4 h LEU 231 Ca 0.21 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.12 1rk4 h LEU 231 Cb 0.33 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.05 1rk4 h LEU 231 CO -0.45 0.49 0.05 0.00 -1.08 0.00 0.00 178.44 177.44 1rk4 h ALA 232 N 1.51 1.27 -0.30 1.53 0.00 -0.61 -3.23 119.26 119.44 1rk4 h ALA 232 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1rk4 h ALA 232 Cb 0.88 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1rk4 h ALA 232 CO 0.06 0.50 0.00 0.66 0.00 0.00 0.00 179.25 180.47 1rk4 n TYR 233 N -4.27 0.62 0.00 0.00 4.01 -1.09 -5.11 117.16 111.32 1rk4 n TYR 233 Ca 0.03 -0.64 0.00 0.00 -0.16 0.00 0.00 57.90 57.12 1rk4 n TYR 233 Cb 0.25 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 1rk4 n TYR 233 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79