#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4d s ALA 7 N 0.00 1.94 0.00 1.98 0.00 -1.26 -4.70 121.76 119.72 1s4d s ALA 7 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.19 1s4d s ALA 7 Cb 0.00 1.21 0.00 0.00 0.00 0.00 0.00 23.12 24.33 1s4d s ALA 7 CO 0.00 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.64 1s4d n GLY 8 N -0.59 2.95 3.78 0.00 0.00 -1.26 -5.04 105.19 105.03 1s4d n GLY 8 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1s4d n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s4d s LEU 9 N 0.00 3.55 0.51 0.99 1.43 -1.26 -5.00 118.68 118.91 1s4d s LEU 9 Ca 0.00 1.99 -0.22 0.00 -1.03 0.00 0.00 54.13 54.87 1s4d s LEU 9 Cb 0.00 -4.55 -0.06 0.00 0.03 0.00 0.00 46.19 41.61 1s4d s LEU 9 CO 0.00 -1.32 1.28 -2.16 0.23 0.00 0.00 176.35 174.38 1s4d s PRO 10 N -3.80 3.38 0.09 1.29 0.04 -1.26 -5.01 135.00 129.73 1s4d s PRO 10 Ca 0.68 2.06 -0.14 0.00 0.04 0.00 0.00 61.00 63.63 1s4d s PRO 10 Cb -0.20 -2.31 -0.06 0.00 0.04 0.00 0.00 34.50 31.96 1s4d s PRO 10 CO 0.34 -0.94 0.48 0.00 0.04 0.00 0.00 177.00 176.92 1s4d s ALA 11 N -1.40 3.64 -0.28 8.56 0.00 -1.26 -4.95 121.76 126.08 1s4d s ALA 11 Ca 0.68 -0.19 -0.29 0.00 0.00 0.00 0.00 51.96 52.17 1s4d s ALA 11 Cb -0.36 -2.45 -0.01 0.00 0.00 0.00 0.00 23.12 20.30 1s4d s ALA 11 CO 0.43 0.48 1.53 -1.17 0.00 0.00 0.00 175.76 177.03 1s4d s LEU 12 N -1.64 3.81 0.00 0.00 0.20 -1.26 -4.99 118.68 114.80 1s4d s LEU 12 Ca 0.32 1.38 0.00 0.00 0.69 0.00 0.00 54.13 56.52 1s4d s LEU 12 Cb -0.16 -3.53 0.00 0.00 -0.43 0.00 0.00 46.19 42.07 1s4d s LEU 12 CO 0.18 -1.29 0.00 1.21 -0.29 0.00 0.00 176.35 176.16 1s4d n GLU 13 N 7.71 3.58 -4.29 1.98 4.07 -1.26 -4.89 120.64 127.54 1s4d n GLU 13 Ca 0.18 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 57.10 1s4d n GLU 13 Cb 0.46 0.00 -0.13 0.00 -0.06 0.00 0.00 31.44 31.71 1s4d n GLU 13 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1s4d s LYS 14 N 0.18 0.77 0.00 5.31 1.02 -1.26 -4.35 119.74 121.41 1s4d s LYS 14 Ca 0.00 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.39 1s4d s LYS 14 Cb 0.00 -0.72 0.00 0.00 -0.52 0.00 0.00 37.83 36.59 1s4d s LYS 14 CO 0.00 0.18 0.00 0.41 -0.92 0.00 0.00 175.35 175.02 1s4d n GLY 15 N 2.16 0.86 3.49 -3.33 0.00 -1.09 -4.99 105.19 102.29 1s4d n GLY 15 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 1s4d n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s4d s SER 16 N -2.82 3.74 -0.13 1.61 1.04 -1.25 -4.27 113.70 111.62 1s4d s SER 16 Ca 0.00 -0.93 0.01 0.00 0.48 0.00 0.00 55.95 55.51 1s4d s SER 16 Cb 0.00 -0.39 0.02 0.00 0.10 0.00 0.00 66.02 65.75 1s4d s SER 16 CO 0.00 0.05 -0.15 -0.69 0.98 0.00 0.00 173.24 173.43 1s4d s VAL 17 N -2.33 1.56 -0.14 5.02 1.01 -1.07 -1.01 120.40 123.45 1s4d s VAL 17 Ca 0.29 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.48 1s4d s VAL 17 Cb -0.06 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 1s4d s VAL 17 CO 0.15 0.46 0.27 0.26 0.00 0.00 0.00 175.10 176.24 1s4d s TRP 18 N 1.21 3.50 -0.45 5.22 0.52 -0.06 -2.22 118.94 126.66 1s4d s TRP 18 Ca -0.01 0.60 -0.16 0.00 0.02 0.00 0.00 56.10 56.55 1s4d s TRP 18 Cb -0.14 -2.27 0.05 0.00 -1.15 0.00 0.00 33.47 29.96 1s4d s TRP 18 CO -0.06 0.35 0.42 -0.51 0.02 0.00 0.00 176.95 177.17 1s4d s LEU 19 N 0.09 5.26 -0.10 2.99 1.02 -0.68 -0.05 118.68 127.21 1s4d s LEU 19 Ca 0.16 -1.04 0.03 0.00 0.02 0.00 0.00 54.13 53.31 1s4d s LEU 19 Cb -0.13 -2.26 -0.01 0.00 0.02 0.00 0.00 46.19 43.82 1s4d s LEU 19 CO 0.04 -0.62 -0.22 -0.69 0.02 0.00 0.00 176.35 174.88 1s4d s VAL 20 N 1.89 2.29 0.01 -1.59 1.01 0.33 -1.05 120.40 123.29 1s4d s VAL 20 Ca 0.07 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 1s4d s VAL 20 Cb -0.21 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 1s4d s VAL 20 CO 0.10 0.55 1.34 -0.83 0.00 0.00 0.00 175.10 176.26 1s4d s GLY 21 N 0.25 1.98 0.00 4.51 0.00 0.10 -0.36 107.32 113.79 1s4d s GLY 21 Ca -0.15 0.86 0.27 0.00 0.00 0.00 0.00 44.72 45.71 1s4d s GLY 21 CO 0.07 2.39 1.69 0.00 0.00 0.00 0.00 173.10 177.25 1s4d n ALA 22 N 5.01 2.96 -0.49 3.20 0.00 0.24 -4.63 120.51 126.81 1s4d n ALA 22 Ca 0.12 -0.27 0.05 0.00 0.00 0.00 0.00 53.44 53.35 1s4d n ALA 22 Cb 0.44 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 1s4d n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 23 N 1.42 -1.99 0.25 0.00 0.00 -0.83 -4.49 105.19 99.55 1s4d n GLY 23 Ca 0.09 -1.35 0.14 0.00 0.00 0.00 0.00 46.02 44.89 1s4d n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s4d h PRO 24 N 0.00 0.00 0.00 1.61 0.13 -1.84 -0.16 132.00 131.74 1s4d h PRO 24 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1s4d h PRO 24 Cb 0.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.47 1s4d h PRO 24 CO 0.00 0.06 0.00 0.41 -0.23 0.00 0.00 178.00 178.24 1s4d n GLY 25 N 0.44 -1.33 3.56 1.56 0.00 -1.26 -4.75 105.19 103.41 1s4d n GLY 25 Ca 0.02 0.51 -0.65 0.00 0.00 0.00 0.00 46.02 45.90 1s4d n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s4d n ASP 26 N 0.00 1.09 -4.63 1.61 -0.08 -0.48 -4.55 116.55 109.51 1s4d n ASP 26 Ca 0.00 0.99 -0.30 0.00 -1.51 0.00 0.00 54.79 53.98 1s4d n ASP 26 Cb 0.00 -0.90 0.18 0.00 2.34 0.00 0.00 41.12 42.74 1s4d n ASP 26 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1s4d s PRO 27 N 4.14 0.51 0.00 -0.67 0.04 -1.26 -1.09 135.00 136.68 1s4d s PRO 27 Ca 1.10 1.04 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1s4d s PRO 27 Cb -1.48 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1s4d s PRO 27 CO 0.75 -2.81 0.00 0.41 0.04 0.00 0.00 177.00 175.39 1s4d n GLY 28 N -0.15 2.54 0.00 0.56 0.00 -1.26 -4.57 105.19 102.31 1s4d n GLY 28 Ca 0.07 -0.28 0.14 0.00 0.00 0.00 0.00 46.02 45.95 1s4d n GLY 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s4d n LEU 29 N 0.00 0.00 -4.77 0.99 4.77 -0.25 -4.87 117.00 112.87 1s4d n LEU 29 Ca 0.00 0.27 -0.41 0.00 -0.03 0.00 0.00 56.01 55.85 1s4d n LEU 29 Cb 0.00 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 40.80 1s4d n LEU 29 CO 0.00 -0.02 1.06 -0.76 -1.33 0.00 0.00 177.39 176.34 1s4d s LEU 30 N -2.55 4.38 0.74 2.23 1.43 -1.26 -4.58 118.68 119.07 1s4d s LEU 30 Ca 0.27 2.85 -0.11 0.00 -1.03 0.00 0.00 54.13 56.11 1s4d s LEU 30 Cb 0.19 -3.66 0.04 0.00 0.03 0.00 0.00 46.19 42.79 1s4d s LEU 30 CO 0.42 -0.70 1.08 0.42 0.23 0.00 0.00 176.35 177.80 1s4d s THR 31 N -1.03 3.60 0.28 5.49 -4.23 -1.26 -4.88 115.64 113.61 1s4d s THR 31 Ca 0.52 0.52 -0.01 0.00 -1.18 0.00 0.00 61.69 61.54 1s4d s THR 31 Cb -0.43 -3.13 0.28 0.00 1.34 0.00 0.00 72.50 70.56 1s4d s THR 31 CO 0.57 -0.68 1.87 -0.07 -0.54 0.00 0.00 174.62 175.77 1s4d h LEU 32 N -0.96 0.98 -0.16 4.79 3.38 -1.98 -0.25 115.31 121.10 1s4d h LEU 32 Ca -0.44 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1s4d h LEU 32 Cb 1.23 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1s4d h LEU 32 CO 0.54 0.60 0.11 0.45 0.09 0.00 0.00 178.44 180.23 1s4d h HIS 33 N 1.10 0.21 0.06 1.13 3.86 -1.98 0.29 115.15 119.81 1s4d h HIS 33 Ca 0.45 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.68 1s4d h HIS 33 Cb 0.27 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.64 1s4d h HIS 33 CO -0.00 0.14 -0.21 0.00 0.86 0.00 0.00 177.93 178.71 1s4d h ALA 34 N 1.05 -0.32 -0.21 2.45 0.00 -1.66 0.43 119.26 121.00 1s4d h ALA 34 Ca 0.06 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1s4d h ALA 34 Cb -0.02 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1s4d h ALA 34 CO -0.01 -0.73 0.09 0.00 0.00 0.00 0.00 179.25 178.60 1s4d h ALA 35 N 0.46 0.24 -0.53 0.00 0.00 -0.92 0.23 119.26 118.74 1s4d h ALA 35 Ca 0.04 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1s4d h ALA 35 Cb 0.42 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1s4d h ALA 35 CO -0.15 -0.32 0.18 -0.97 0.00 0.00 0.00 179.25 177.99 1s4d h ASN 36 N 0.21 0.17 -0.23 0.00 -1.24 -0.29 -1.03 115.58 113.17 1s4d h ASN 36 Ca 0.09 0.07 -0.00 0.00 0.71 0.00 0.00 56.30 57.16 1s4d h ASN 36 Cb 0.03 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 1s4d h ASN 36 CO -0.07 0.12 0.13 0.00 -1.29 0.00 0.00 177.43 176.32 1s4d h ALA 37 N 1.36 0.29 -0.99 1.57 0.00 -0.36 -2.10 119.26 119.03 1s4d h ALA 37 Ca 0.26 -0.06 0.20 0.00 0.00 0.00 0.00 54.91 55.31 1s4d h ALA 37 Cb 0.29 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 17.88 1s4d h ALA 37 CO -0.27 -0.18 0.59 -0.07 0.00 0.00 0.00 179.25 179.31 1s4d h LEU 38 N 0.26 0.73 -1.16 0.00 -0.00 0.09 -0.92 115.31 114.30 1s4d h LEU 38 Ca 0.08 0.11 -0.07 0.00 -0.00 0.00 0.00 57.88 57.99 1s4d h LEU 38 Cb 0.06 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.69 1s4d h LEU 38 CO -0.01 0.23 -0.34 -0.09 -0.00 0.00 0.00 178.44 178.22 1s4d h ARG 39 N 0.70 0.00 -0.04 1.13 1.12 -0.52 -3.30 114.38 113.48 1s4d h ARG 39 Ca 0.58 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.45 1s4d h ARG 39 Cb 0.95 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.91 1s4d h ARG 39 CO -0.41 0.34 0.00 0.00 -3.11 0.00 0.00 179.97 176.80 1s4d n GLN 40 N -3.68 1.29 -1.78 0.20 10.64 -0.47 -4.17 117.38 119.41 1s4d n GLN 40 Ca -0.01 -1.16 -0.34 0.00 -1.83 0.00 0.00 57.00 53.67 1s4d n GLN 40 Cb 0.45 -1.05 0.05 0.00 -0.86 0.00 0.00 30.24 28.83 1s4d n GLN 40 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1s4d s ALA 41 N -0.62 2.44 -0.20 2.61 0.00 -0.50 -4.88 121.76 120.60 1s4d s ALA 41 Ca 0.03 0.67 0.11 0.00 0.00 0.00 0.00 51.96 52.76 1s4d s ALA 41 Cb 0.02 -3.36 -0.22 0.00 0.00 0.00 0.00 23.12 19.56 1s4d s ALA 41 CO 0.03 -1.31 0.02 -0.25 0.00 0.00 0.00 175.76 174.25 1s4d n ASP 42 N -2.29 0.89 -3.71 0.00 8.00 0.03 -4.75 116.55 114.72 1s4d n ASP 42 Ca 0.11 -0.01 -0.12 0.00 0.71 0.00 0.00 54.79 55.49 1s4d n ASP 42 Cb 0.51 0.31 -0.12 0.00 -0.02 0.00 0.00 41.12 41.81 1s4d n ASP 42 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1s4d s VAL 43 N -2.51 -0.04 -0.30 2.53 0.11 -1.20 -1.14 120.40 117.85 1s4d s VAL 43 Ca -0.19 0.13 -0.05 0.00 -2.93 0.00 0.00 61.98 58.94 1s4d s VAL 43 Cb 0.07 -0.48 0.03 0.00 -1.53 0.00 0.00 36.38 34.47 1s4d s VAL 43 CO 0.74 0.05 0.05 -0.63 -3.33 0.00 0.00 175.10 171.98 1s4d s ILE 44 N 1.35 3.52 -0.40 7.04 1.01 -0.16 -1.76 121.20 131.80 1s4d s ILE 44 Ca -0.09 -1.03 -0.16 0.00 0.00 0.00 0.00 60.65 59.37 1s4d s ILE 44 Cb -0.10 -2.91 0.01 0.00 0.01 0.00 0.00 42.46 39.48 1s4d s ILE 44 CO -0.10 -0.02 0.35 -0.69 0.00 0.00 0.00 174.94 174.47 1s4d s VAL 45 N 1.39 5.19 0.23 2.92 1.01 0.02 -0.67 120.40 130.49 1s4d s VAL 45 Ca -0.01 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 61.65 1s4d s VAL 45 Cb -0.18 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 1s4d s VAL 45 CO 0.01 -0.28 -0.14 -1.38 0.00 0.00 0.00 175.10 173.30 1s4d s HIS 46 N 1.88 1.88 0.71 5.22 -0.00 -0.01 -0.76 115.29 124.23 1s4d s HIS 46 Ca 0.08 -0.54 -0.10 0.00 -0.00 0.00 0.00 55.06 54.51 1s4d s HIS 46 Cb -0.18 -0.89 0.04 0.00 -0.00 0.00 0.00 32.58 31.55 1s4d s HIS 46 CO 0.11 0.43 1.07 -0.51 -0.00 0.00 0.00 174.74 175.84 1s4d s ASP 47 N -3.38 5.10 -0.18 7.38 -0.00 -1.20 -1.20 116.67 123.19 1s4d s ASP 47 Ca 0.25 0.84 -0.02 0.00 -0.00 0.00 0.00 52.55 53.62 1s4d s ASP 47 Cb -0.01 -1.56 -0.06 0.00 -0.00 0.00 0.00 42.92 41.29 1s4d s ASP 47 CO 0.09 -1.50 0.38 0.00 -0.00 0.00 0.00 175.17 174.15 1s4d n ALA 48 N -3.00 0.19 -2.68 5.23 0.00 -1.26 -4.89 120.51 114.09 1s4d n ALA 48 Ca 0.07 -0.14 -0.37 0.00 0.00 0.00 0.00 53.44 53.00 1s4d n ALA 48 Cb 0.59 -0.42 -0.06 0.00 0.00 0.00 0.00 19.45 19.56 1s4d n ALA 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1s4d s LEU 49 N 0.13 4.36 0.13 0.00 1.43 -1.26 -4.88 118.68 118.59 1s4d s LEU 49 Ca 0.23 0.67 -0.07 0.00 -1.03 0.00 0.00 54.13 53.93 1s4d s LEU 49 Cb -0.15 -2.39 -0.08 0.00 0.03 0.00 0.00 46.19 43.60 1s4d s LEU 49 CO 0.10 0.25 1.34 0.58 0.23 0.00 0.00 176.35 178.85 1s4d h VAL 50 N 4.17 1.33 -3.42 -1.59 2.07 -1.90 -3.41 116.25 113.50 1s4d h VAL 50 Ca -0.48 -2.14 -0.64 0.00 0.82 0.00 0.00 66.70 64.26 1s4d h VAL 50 Cb 1.20 2.14 -0.36 0.00 -1.52 0.00 0.00 31.29 32.74 1s4d h VAL 50 CO 0.66 0.66 -0.82 0.20 0.02 0.00 0.00 177.57 178.29 1s4d s ASN 51 N -7.08 3.53 0.00 0.57 -0.87 -1.26 -4.99 114.94 104.84 1s4d s ASN 51 Ca -0.08 -0.93 0.00 0.00 -1.57 0.00 0.00 52.86 50.28 1s4d s ASN 51 Cb 0.09 -1.36 0.00 0.00 -0.02 0.00 0.00 41.25 39.96 1s4d s ASN 51 CO 0.88 -0.12 1.40 -0.62 -2.57 0.00 0.00 177.10 176.07 1s4d n GLU 52 N 4.62 0.97 -0.12 -0.60 1.02 -1.26 -4.05 120.64 121.21 1s4d n GLU 52 Ca -0.16 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.80 1s4d n GLU 52 Cb 0.47 -1.01 -0.11 0.00 -0.02 0.00 0.00 31.44 30.76 1s4d n GLU 52 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1s4d n ASP 53 N 0.96 2.06 -0.12 1.62 9.92 -1.26 -4.14 116.55 125.59 1s4d n ASP 53 Ca 0.00 -0.13 0.04 0.00 -0.53 0.00 0.00 54.79 54.18 1s4d n ASP 53 Cb 0.49 -0.40 0.36 0.00 -0.64 0.00 0.00 41.12 40.93 1s4d n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1s4d h LEU 55 N 0.72 0.00 -0.20 0.00 3.38 -1.84 0.27 115.31 117.63 1s4d h LEU 55 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1s4d h LEU 55 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1s4d h LEU 55 CO -0.07 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.75 1s4d n LYS 56 N -3.57 0.05 0.12 1.13 4.76 -0.86 -1.92 118.16 117.87 1s4d n LYS 56 Ca 0.06 0.32 0.12 0.00 -2.87 0.00 0.00 58.31 55.94 1s4d n LYS 56 Cb 0.57 -1.60 0.24 0.00 -1.84 0.00 0.00 35.03 32.41 1s4d n LYS 56 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1s4d h LEU 57 N 0.00 0.00-10.00 -0.35 4.07 -0.66 -3.46 115.31 104.91 1s4d h LEU 57 Ca 0.00 -0.06 -0.55 0.00 0.08 0.00 0.00 57.88 57.34 1s4d h LEU 57 Cb 0.25 0.00 0.14 0.00 1.08 0.00 0.00 40.66 42.12 1s4d h LEU 57 CO 0.00 0.03 0.60 0.00 -1.08 0.00 0.00 178.44 177.99 1s4d n ALA 58 N -1.91 1.60 -1.77 1.53 0.00 -0.81 -3.99 120.51 115.17 1s4d n ALA 58 Ca 0.04 0.16 -0.38 0.00 0.00 0.00 0.00 53.44 53.26 1s4d n ALA 58 Cb 0.47 -2.35 -0.02 0.00 0.00 0.00 0.00 19.45 17.55 1s4d n ALA 58 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1s4d s ARG 59 N -2.75 3.95 0.25 0.00 1.70 -1.26 -4.95 118.95 115.90 1s4d s ARG 59 Ca 0.69 1.83 -0.31 0.00 -0.47 0.00 0.00 55.73 57.47 1s4d s ARG 59 Cb -0.43 -2.59 -0.13 0.00 -0.57 0.00 0.00 34.95 31.23 1s4d s ARG 59 CO 0.51 -0.40 1.41 -2.30 -1.08 0.00 0.00 175.30 173.45 1s4d n PRO 60 N -0.11 2.08 -0.71 3.89 -0.02 -1.26 -1.69 135.00 137.18 1s4d n PRO 60 Ca 0.05 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1s4d n PRO 60 Cb 0.47 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1s4d n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s4d n GLY 61 N 2.09 0.65 3.82 -1.23 0.00 -1.26 -5.05 105.19 104.21 1s4d n GLY 61 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1s4d n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4d s ALA 62 N -2.02 3.47 -0.17 4.61 0.00 -0.68 -5.03 121.76 121.95 1s4d s ALA 62 Ca 0.00 0.06 -0.18 0.00 0.00 0.00 0.00 51.96 51.84 1s4d s ALA 62 Cb 0.00 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 1s4d s ALA 62 CO 0.00 0.37 0.49 0.08 0.00 0.00 0.00 175.76 176.71 1s4d s VAL 63 N -1.50 5.14 -0.34 0.00 1.01 -0.29 -4.96 120.40 119.46 1s4d s VAL 63 Ca 0.41 0.94 -0.14 0.00 0.00 0.00 0.00 61.98 63.19 1s4d s VAL 63 Cb -0.16 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1s4d s VAL 63 CO 0.20 0.24 0.29 -0.76 0.00 0.00 0.00 175.10 175.08 1s4d s LEU 64 N 1.21 4.49 -0.17 3.92 1.02 -1.26 -0.99 118.68 126.90 1s4d s LEU 64 Ca 0.25 -0.34 0.01 0.00 0.02 0.00 0.00 54.13 54.06 1s4d s LEU 64 Cb -0.15 -2.22 0.02 0.00 0.02 0.00 0.00 46.19 43.85 1s4d s LEU 64 CO 0.10 -0.28 -0.19 -0.70 0.02 0.00 0.00 176.35 175.30 1s4d s GLU 65 N 1.85 2.84 -0.32 1.70 2.12 0.15 -4.98 118.70 122.06 1s4d s GLU 65 Ca 0.08 -0.77 -0.25 0.00 0.36 0.00 0.00 54.97 54.40 1s4d s GLU 65 Cb -0.17 -2.46 0.01 0.00 0.26 0.00 0.00 34.13 31.76 1s4d s GLU 65 CO 0.11 -0.20 0.85 0.12 -0.54 0.00 0.00 175.26 175.60 1s4d s PHE 66 N 1.30 3.17 -0.09 5.30 5.36 -1.26 -0.83 117.98 130.94 1s4d s PHE 66 Ca 0.04 0.83 -0.30 0.00 -0.96 0.00 0.00 56.93 56.55 1s4d s PHE 66 Cb -0.13 -3.37 -0.03 0.00 -0.34 0.00 0.00 43.02 39.15 1s4d s PHE 66 CO -0.12 -0.65 1.22 0.00 -1.46 0.00 0.00 175.22 174.21 1s4d s ALA 67 N 3.15 3.55 0.38 11.12 0.00 -0.34 -4.89 121.76 134.73 1s4d s ALA 67 Ca 0.35 0.58 -0.25 0.00 0.00 0.00 0.00 51.96 52.64 1s4d s ALA 67 Cb -0.13 -3.55 -0.12 0.00 0.00 0.00 0.00 23.12 19.32 1s4d s ALA 67 CO 0.14 -0.89 0.93 0.41 0.00 0.00 0.00 175.76 176.35 1s4d n GLY 68 N 3.44 -0.46 0.00 0.00 0.00 -1.26 -4.66 105.19 102.26 1s4d n GLY 68 Ca 0.12 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1s4d n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1s4d n LYS 69 N 0.41 0.00 0.00 1.61 2.85 -1.26 -4.50 118.16 117.26 1s4d n LYS 69 Ca 0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 1s4d n LYS 69 Cb 0.37 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.75 1s4d n LYS 69 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1s4d n ARG 70 N 0.00 1.55 -3.40 -1.58 1.74 -1.26 -5.06 116.66 108.65 1s4d n ARG 70 Ca 0.00 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.88 1s4d n ARG 70 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 1s4d n ARG 70 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1s4d s GLY 71 N 0.00 2.08 0.00 -0.13 0.00 -1.26 -4.95 107.32 103.05 1s4d s GLY 71 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 42.92 1s4d s GLY 71 CO 0.00 -1.67 0.00 0.61 0.00 0.00 0.00 173.10 172.04 1s4d n GLY 72 N -1.71 1.94 0.00 0.20 0.00 -1.26 -4.63 105.19 99.74 1s4d n GLY 72 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1s4d n GLY 72 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1s4d n LYS 73 N 12.63 0.00 -1.65 1.61 2.85 -1.26 -5.05 118.16 127.28 1s4d n LYS 73 Ca 0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 1s4d n LYS 73 Cb 0.00 -0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 1s4d n LYS 73 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1s4d n PRO 74 N -1.19 2.72 -3.89 -1.58 -0.02 -1.26 -4.85 135.00 124.93 1s4d n PRO 74 Ca 0.00 0.97 -0.37 0.00 -2.02 0.00 0.00 63.50 62.08 1s4d n PRO 74 Cb 0.00 -3.05 -0.07 0.00 -0.02 0.00 0.00 33.50 30.37 1s4d n PRO 74 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1s4d s SER 75 N 5.09 6.29 0.49 2.55 1.04 -1.26 -4.66 113.70 123.24 1s4d s SER 75 Ca 0.91 0.41 -0.22 0.00 0.48 0.00 0.00 55.95 57.53 1s4d s SER 75 Cb -0.42 -2.04 -0.07 0.00 0.10 0.00 0.00 66.02 63.59 1s4d s SER 75 CO 0.41 0.37 1.16 -2.16 0.98 0.00 0.00 173.24 174.00 1s4d s PRO 76 N -0.79 3.59 0.87 4.02 0.04 -1.26 -4.99 135.00 136.48 1s4d s PRO 76 Ca 0.14 1.74 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 1s4d s PRO 76 Cb -0.12 -2.27 0.12 0.00 0.04 0.00 0.00 34.50 32.27 1s4d s PRO 76 CO 0.03 -0.68 1.11 0.21 0.04 0.00 0.00 177.00 177.71 1s4d s LYS 77 N -2.90 1.40 0.30 4.56 2.47 -1.26 -4.81 119.74 119.51 1s4d s LYS 77 Ca 0.67 1.29 0.06 0.00 -1.56 0.00 0.00 55.97 56.43 1s4d s LYS 77 Cb -0.28 -1.79 0.83 0.00 -1.46 0.00 0.00 37.83 35.13 1s4d s LYS 77 CO 0.33 -2.28 1.66 0.37 0.16 0.00 0.00 175.35 175.59 1s4d h GLN 78 N -1.60 0.28 -0.41 4.03 5.75 -2.00 -2.43 115.11 118.72 1s4d h GLN 78 Ca -0.45 -0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 57.95 1s4d h GLN 78 Cb 1.26 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.73 1s4d h GLN 78 CO 0.47 0.19 -0.08 -0.09 -2.65 0.00 0.00 178.83 176.66 1s4d h ARG 79 N 0.29 0.72 0.38 1.69 2.43 -1.99 0.75 114.38 118.65 1s4d h ARG 79 Ca 0.61 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.55 1s4d h ARG 79 Cb 1.26 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 1s4d h ARG 79 CO -0.61 0.79 -0.32 -0.44 -1.51 0.00 0.00 179.97 177.87 1s4d h ASP 80 N 0.66 -0.85 -0.60 -3.80 3.32 -1.80 0.36 116.42 113.71 1s4d h ASP 80 Ca 0.12 0.07 0.11 0.00 0.02 0.00 0.00 57.03 57.35 1s4d h ASP 80 Cb 0.53 0.28 -0.08 0.00 0.22 0.00 0.00 39.33 40.27 1s4d h ASP 80 CO 0.03 -0.47 0.13 0.40 -1.72 0.00 0.00 179.24 177.61 1s4d h ILE 81 N -0.71 0.65 -0.75 0.35 2.04 -1.34 0.91 117.51 118.66 1s4d h ILE 81 Ca -0.03 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.75 1s4d h ILE 81 Cb 0.62 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1s4d h ILE 81 CO -0.02 0.05 0.49 0.28 0.00 0.00 0.00 178.15 178.95 1s4d h SER 82 N 0.26 0.84 -0.38 1.72 0.02 -0.60 -1.93 113.55 113.48 1s4d h SER 82 Ca 0.31 -0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 61.09 1s4d h SER 82 Cb 0.46 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1s4d h SER 82 CO -0.40 0.60 -0.36 -0.07 -1.14 0.00 0.00 176.83 175.46 1s4d h LEU 83 N 1.00 0.99 -0.67 5.07 3.38 -0.24 -2.72 115.31 122.11 1s4d h LEU 83 Ca 0.28 -0.44 0.14 0.00 0.09 0.00 0.00 57.88 57.95 1s4d h LEU 83 Cb -0.08 -0.28 -0.10 0.00 0.09 0.00 0.00 40.66 40.29 1s4d h LEU 83 CO -0.07 1.24 0.13 -0.09 0.09 0.00 0.00 178.44 179.73 1s4d h ARG 84 N 0.76 0.23 -0.21 1.13 9.65 -0.50 0.17 114.38 125.60 1s4d h ARG 84 Ca 0.07 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.92 1s4d h ARG 84 Cb 0.95 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.47 1s4d h ARG 84 CO 0.09 0.15 0.05 -0.07 2.80 0.00 0.00 179.97 182.99 1s4d h LEU 85 N 0.24 0.27 -0.19 3.80 3.38 -1.12 -0.97 115.31 120.72 1s4d h LEU 85 Ca 0.36 -0.03 -0.20 0.00 0.09 0.00 0.00 57.88 58.11 1s4d h LEU 85 Cb 0.59 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1s4d h LEU 85 CO -0.48 0.28 -0.92 -0.37 0.09 0.00 0.00 178.44 177.05 1s4d h VAL 86 N 0.30 1.62 0.06 1.22 -1.51 -0.46 -2.83 116.25 114.65 1s4d h VAL 86 Ca 0.07 -3.03 -0.00 0.00 -1.23 0.00 0.00 66.70 62.52 1s4d h VAL 86 Cb 0.12 2.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.94 1s4d h VAL 86 CO -0.00 0.87 -0.03 -0.08 -1.23 0.00 0.00 177.57 177.09 1s4d h GLU 87 N 0.02 -0.08 -0.99 5.19 4.81 -0.57 0.12 114.58 123.08 1s4d h GLU 87 Ca -0.02 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.28 1s4d h GLU 87 Cb 1.60 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.94 1s4d h GLU 87 CO 0.12 0.13 0.64 -0.07 -0.73 0.00 0.00 179.01 179.11 1s4d h LEU 88 N -0.29 1.02 0.25 1.64 4.07 -1.26 -2.78 115.31 117.97 1s4d h LEU 88 Ca -0.01 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1s4d h LEU 88 Cb 0.26 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.79 1s4d h LEU 88 CO 0.01 0.65 -0.12 0.00 -1.08 0.00 0.00 178.44 177.90 1s4d h ALA 89 N 1.47 -0.34 -0.65 1.53 0.00 -1.22 -2.24 119.26 117.81 1s4d h ALA 89 Ca 0.43 -0.20 0.19 0.00 0.00 0.00 0.00 54.91 55.32 1s4d h ALA 89 Cb 0.17 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1s4d h ALA 89 CO -0.17 -0.43 0.58 0.00 0.00 0.00 0.00 179.25 179.23 1s4d h ARG 90 N -0.85 0.00 -0.00 0.00 2.47 -0.70 0.28 114.38 115.57 1s4d h ARG 90 Ca -0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1s4d h ARG 90 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 1s4d h ARG 90 CO 0.06 0.00 -0.14 0.00 0.56 0.00 0.00 179.97 180.45 1s4d n ALA 91 N -2.47 2.81 0.00 0.04 0.00 -1.05 -4.92 120.51 114.92 1s4d n ALA 91 Ca 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1s4d n ALA 91 Cb 0.82 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1s4d n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 92 N 1.30 1.01 3.77 0.00 0.00 0.10 -5.02 105.19 106.35 1s4d n GLY 92 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1s4d n GLY 92 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s4d s ASN 93 N -2.00 6.45 -0.58 1.61 -0.87 -0.85 -4.22 114.94 114.48 1s4d s ASN 93 Ca 0.00 2.24 -0.28 0.00 -1.57 0.00 0.00 52.86 53.25 1s4d s ASN 93 Cb 0.00 -2.60 0.03 0.00 -0.02 0.00 0.00 41.25 38.66 1s4d s ASN 93 CO 0.00 -0.72 1.18 -0.13 -2.57 0.00 0.00 177.10 174.87 1s4d s ARG 94 N -2.52 3.50 -0.25 -0.60 0.52 -1.26 -2.67 118.95 115.68 1s4d s ARG 94 Ca 0.60 0.22 -0.09 0.00 -0.52 0.00 0.00 55.73 55.94 1s4d s ARG 94 Cb -0.27 -4.02 -0.04 0.00 0.52 0.00 0.00 34.95 31.14 1s4d s ARG 94 CO 0.34 -1.68 0.13 0.08 0.02 0.00 0.00 175.30 174.19 1s4d s VAL 95 N 4.92 5.03 -0.28 3.52 1.01 -0.18 -0.79 120.40 133.63 1s4d s VAL 95 Ca 0.42 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.46 1s4d s VAL 95 Cb -0.08 -3.35 0.04 0.00 0.00 0.00 0.00 36.38 33.00 1s4d s VAL 95 CO 0.25 0.33 -0.03 -0.22 0.00 0.00 0.00 175.10 175.43 1s4d s LEU 96 N 1.30 3.62 -0.63 3.92 2.96 -0.72 -0.88 118.68 128.24 1s4d s LEU 96 Ca 0.06 -1.15 -0.22 0.00 -0.22 0.00 0.00 54.13 52.60 1s4d s LEU 96 Cb -0.14 -1.68 0.08 0.00 0.50 0.00 0.00 46.19 44.94 1s4d s LEU 96 CO 0.06 -0.21 0.89 -0.60 -1.32 0.00 0.00 176.35 175.17 1s4d s ARG 97 N 1.26 3.11 -0.34 1.98 6.06 0.93 -0.80 118.95 131.14 1s4d s ARG 97 Ca -0.04 -0.91 -0.24 0.00 -2.50 0.00 0.00 55.73 52.05 1s4d s ARG 97 Cb -0.19 -4.22 0.01 0.00 0.06 0.00 0.00 34.95 30.61 1s4d s ARG 97 CO -0.03 -1.71 0.80 -1.17 -2.50 0.00 0.00 175.30 170.69 1s4d s LEU 98 N 3.70 4.10 0.08 -0.88 0.20 0.06 -0.51 118.68 125.43 1s4d s LEU 98 Ca 0.20 0.49 0.05 0.00 0.69 0.00 0.00 54.13 55.56 1s4d s LEU 98 Cb -0.18 -3.07 -0.04 0.00 -0.43 0.00 0.00 46.19 42.46 1s4d s LEU 98 CO 0.10 -0.71 -0.05 -0.54 -0.29 0.00 0.00 176.35 174.86 1s4d s LYS 99 N 3.10 2.41 0.43 1.98 1.02 0.52 -3.24 119.74 125.95 1s4d s LYS 99 Ca 0.33 -0.88 -0.24 0.00 0.02 0.00 0.00 55.97 55.20 1s4d s LYS 99 Cb -0.13 -2.46 -0.08 0.00 -0.52 0.00 0.00 37.83 34.64 1s4d s LYS 99 CO 0.16 0.54 1.17 0.20 -0.92 0.00 0.00 175.35 176.50 1s4d s GLY 100 N -2.10 2.82 0.00 -3.33 0.00 -1.26 0.83 107.32 104.28 1s4d s GLY 100 Ca 0.23 0.95 0.00 0.00 0.00 0.00 0.00 44.72 45.90 1s4d s GLY 100 CO 0.15 1.44 0.00 0.61 0.00 0.00 0.00 173.10 175.30 1s4d n GLY 101 N 0.53 2.79 3.60 0.20 0.00 -0.07 -4.59 105.19 107.65 1s4d n GLY 101 Ca 0.06 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1s4d n GLY 101 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s4d s ASP 102 N -4.00 4.99 0.61 1.61 2.15 -1.25 -1.96 116.67 118.81 1s4d s ASP 102 Ca 0.00 0.03 0.30 0.00 0.43 0.00 0.00 52.55 53.31 1s4d s ASP 102 Cb 0.00 -1.50 1.68 0.00 -0.30 0.00 0.00 42.92 42.80 1s4d s ASP 102 CO 0.00 0.31 2.05 -0.65 -0.17 0.00 0.00 175.17 176.71 1s4d h PRO 103 N 5.68 0.00 -0.23 4.34 0.11 -1.82 -2.78 132.00 137.30 1s4d h PRO 103 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1s4d h PRO 103 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1s4d h PRO 103 CO 0.57 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.55 1s4d n PHE 104 N -3.56 0.30 -3.25 0.65 0.99 -1.26 -2.70 117.46 108.63 1s4d n PHE 104 Ca 0.02 -0.30 -0.38 0.00 -0.00 0.00 0.00 57.45 56.78 1s4d n PHE 104 Cb 0.38 -0.02 -0.02 0.00 -1.00 0.00 0.00 39.48 38.82 1s4d n PHE 104 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1s4d n VAL 105 N 0.63 4.17 -1.86 -4.37 0.31 -1.05 -4.69 118.33 111.48 1s4d n VAL 105 Ca 0.10 -5.57 0.00 0.00 -0.01 0.00 0.00 64.34 58.86 1s4d n VAL 105 Cb 0.38 -2.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.12 1s4d n VAL 105 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1s4d n PHE 106 N 1.54 0.00 -0.01 3.52 0.99 -1.26 -4.80 117.46 117.44 1s4d n PHE 106 Ca 0.26 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.71 1s4d n PHE 106 Cb 0.36 -0.81 0.01 0.00 -1.00 0.00 0.00 39.48 38.05 1s4d n PHE 106 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1s4d n GLY 107 N -0.65 2.31 2.59 1.37 0.00 -1.26 -4.98 105.19 104.58 1s4d n GLY 107 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 1s4d n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4d n ARG 108 N -0.32 -1.18 -0.21 1.61 1.74 -1.26 -4.88 116.66 112.16 1s4d n ARG 108 Ca 0.01 0.31 -0.07 0.00 -0.77 0.00 0.00 57.85 57.33 1s4d n ARG 108 Cb 0.23 -4.20 0.03 0.00 -1.02 0.00 0.00 32.46 27.51 1s4d n ARG 108 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1s4d h GLY 109 N 0.00 0.86 0.62 -0.13 0.00 -1.89 -1.19 103.07 101.34 1s4d h GLY 109 Ca -0.00 -0.37 0.06 0.00 0.00 0.00 0.00 47.33 47.02 1s4d h GLY 109 CO 0.01 0.35 0.23 -1.33 0.00 0.00 0.00 176.54 175.80 1s4d h GLY 110 N 0.80 0.72 0.92 4.60 0.00 -1.90 -0.79 103.07 107.41 1s4d h GLY 110 Ca 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 1s4d h GLY 110 CO -0.04 0.06 -0.28 0.83 0.00 0.00 0.00 176.54 177.12 1s4d h GLU 111 N 0.44 -0.69 -0.64 4.80 5.08 -1.77 1.00 114.58 122.81 1s4d h GLU 111 Ca 0.24 0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.78 1s4d h GLU 111 Cb 0.21 0.16 -0.11 0.00 0.50 0.00 0.00 28.75 29.51 1s4d h GLU 111 CO -0.21 -0.46 0.03 0.93 -1.00 0.00 0.00 179.01 178.30 1s4d h GLU 112 N -0.72 0.14 -0.53 2.33 5.08 -1.14 -0.80 114.58 118.95 1s4d h GLU 112 Ca -0.06 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 1s4d h GLU 112 Cb 0.57 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1s4d h GLU 112 CO 0.07 0.09 0.04 0.00 -1.00 0.00 0.00 179.01 178.21 1s4d h ALA 113 N 1.57 1.08 -0.52 3.43 0.00 -0.96 -1.21 119.26 122.64 1s4d h ALA 113 Ca 0.34 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1s4d h ALA 113 Cb 0.55 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1s4d h ALA 113 CO -0.53 0.59 0.33 -0.07 0.00 0.00 0.00 179.25 179.58 1s4d h LEU 114 N 0.81 0.61 -0.67 0.00 4.07 0.46 -1.14 115.31 119.46 1s4d h LEU 114 Ca 0.16 -0.03 -0.04 0.00 0.08 0.00 0.00 57.88 58.05 1s4d h LEU 114 Cb 0.43 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 41.99 1s4d h LEU 114 CO 0.02 0.46 0.27 0.74 -1.08 0.00 0.00 178.44 178.84 1s4d h THR 115 N 0.70 1.24 -0.31 0.22 2.02 -0.78 -0.47 112.91 115.53 1s4d h THR 115 Ca 0.19 -0.75 0.07 0.00 0.77 0.00 0.00 66.41 66.68 1s4d h THR 115 Cb -0.05 0.48 -0.07 0.00 -1.74 0.00 0.00 68.15 66.77 1s4d h THR 115 CO -0.04 0.30 -0.18 -0.07 0.37 0.00 0.00 175.52 175.90 1s4d h LEU 116 N 0.95 -0.60 0.34 2.58 4.07 -0.89 -2.19 115.31 119.56 1s4d h LEU 116 Ca 0.22 0.13 -0.01 0.00 0.08 0.00 0.00 57.88 58.30 1s4d h LEU 116 Cb 0.21 0.31 -0.00 0.00 1.08 0.00 0.00 40.66 42.26 1s4d h LEU 116 CO -0.02 -0.22 -0.19 0.58 -1.08 0.00 0.00 178.44 177.51 1s4d h VAL 117 N -0.15 0.60 -0.69 1.22 2.07 -0.92 -0.62 116.25 117.76 1s4d h VAL 117 Ca 0.16 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.89 1s4d h VAL 117 Cb 0.39 0.60 -0.13 0.00 -1.52 0.00 0.00 31.29 30.64 1s4d h VAL 117 CO -0.40 0.00 0.09 1.21 0.02 0.00 0.00 177.57 178.49 1s4d n GLU 118 N -5.32 -0.05 -0.85 1.57 2.13 -0.21 -1.36 120.64 116.55 1s4d n GLU 118 Ca -0.10 1.02 -0.03 0.00 0.66 0.00 0.00 57.16 58.71 1s4d n GLU 118 Cb 0.23 -1.66 0.27 0.00 0.27 0.00 0.00 31.44 30.54 1s4d n GLU 118 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1s4d n HIS 119 N -4.86 1.84 -3.90 4.31 8.25 -0.77 -4.95 115.22 115.14 1s4d n HIS 119 Ca 0.18 -1.24 -0.27 0.00 -0.26 0.00 0.00 57.72 56.12 1s4d n HIS 119 Cb 0.61 -0.57 0.01 0.00 1.12 0.00 0.00 29.99 31.15 1s4d n HIS 119 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1s4d n GLN 120 N -0.50 -4.56 -4.21 -0.41 3.00 -0.47 -4.97 117.38 105.26 1s4d n GLN 120 Ca 0.36 0.53 -0.34 0.00 -0.01 0.00 0.00 57.00 57.54 1s4d n GLN 120 Cb 1.21 -5.14 -0.13 0.00 0.00 0.00 0.00 30.24 26.18 1s4d n GLN 120 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1s4d s VAL 121 N -3.55 3.52 0.50 5.09 1.01 -0.31 -5.03 120.40 121.63 1s4d s VAL 121 Ca 0.34 -0.47 -0.20 0.00 0.00 0.00 0.00 61.98 61.66 1s4d s VAL 121 Cb -0.18 -2.56 -0.08 0.00 0.00 0.00 0.00 36.38 33.56 1s4d s VAL 121 CO 0.85 0.46 1.07 -2.16 0.00 0.00 0.00 175.10 175.32 1s4d s PRO 122 N 0.95 3.66 0.07 2.72 0.04 -1.26 -4.23 135.00 136.94 1s4d s PRO 122 Ca -0.00 1.45 -0.10 0.00 0.04 0.00 0.00 61.00 62.39 1s4d s PRO 122 Cb -0.15 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.33 1s4d s PRO 122 CO 0.01 -0.57 0.22 -0.59 0.04 0.00 0.00 177.00 176.11 1s4d s PHE 123 N -1.90 0.06 0.19 0.56 -0.12 -1.26 -2.58 117.98 112.92 1s4d s PHE 123 Ca 0.69 -0.37 0.11 0.00 -0.05 0.00 0.00 56.93 57.30 1s4d s PHE 123 Cb -0.19 -0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.15 1s4d s PHE 123 CO 0.22 -0.51 -0.22 0.50 -0.05 0.00 0.00 175.22 175.16 1s4d s ARG 124 N -3.23 1.46 -0.13 1.99 3.52 -0.94 -4.98 118.95 116.64 1s4d s ARG 124 Ca 0.00 -1.50 -0.01 0.00 -0.13 0.00 0.00 55.73 54.08 1s4d s ARG 124 Cb 0.02 -1.70 -0.02 0.00 -1.56 0.00 0.00 34.95 31.69 1s4d s ARG 124 CO -0.08 0.36 -0.09 0.42 -0.81 0.00 0.00 175.30 175.11 1s4d s ILE 125 N -1.81 3.48 -0.35 4.11 -1.09 -1.26 -1.69 121.20 122.58 1s4d s ILE 125 Ca 0.20 -0.52 -0.01 0.00 -2.23 0.00 0.00 60.65 58.09 1s4d s ILE 125 Cb -0.07 -2.48 0.09 0.00 -1.58 0.00 0.00 42.46 38.42 1s4d s ILE 125 CO 0.09 0.53 0.10 -0.69 -1.23 0.00 0.00 174.94 173.73 1s4d s VAL 126 N 0.12 2.93 0.60 2.92 1.01 -0.22 -4.96 120.40 122.80 1s4d s VAL 126 Ca -0.04 -1.90 -0.18 0.00 0.00 0.00 0.00 61.98 59.87 1s4d s VAL 126 Cb -0.14 -2.93 -0.06 0.00 0.00 0.00 0.00 36.38 33.25 1s4d s VAL 126 CO 0.04 -0.47 0.76 -2.65 0.00 0.00 0.00 175.10 172.78 1s4d n PRO 127 N 4.52 0.68 -4.25 2.72 -0.02 -1.26 -0.73 135.00 136.67 1s4d n PRO 127 Ca -0.05 0.27 -0.14 0.00 -2.02 0.00 0.00 63.50 61.56 1s4d n PRO 127 Cb 0.42 -1.95 -0.10 0.00 -0.02 0.00 0.00 33.50 31.84 1s4d n PRO 127 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1s4d s GLY 128 N -1.25 1.27 -0.01 -1.23 0.00 -1.26 -4.41 107.32 100.44 1s4d s GLY 128 Ca 0.73 -1.62 -0.30 0.00 0.00 0.00 0.00 44.72 43.53 1s4d s GLY 128 CO 0.50 -1.54 1.25 -0.42 0.00 0.00 0.00 173.10 172.89 1s4d s ILE 129 N -3.64 4.07 0.12 0.90 -1.09 -1.25 -4.07 121.20 116.24 1s4d s ILE 129 Ca 0.25 1.44 -0.13 0.00 -2.23 0.00 0.00 60.65 59.98 1s4d s ILE 129 Cb 0.06 -3.92 -0.07 0.00 -1.58 0.00 0.00 42.46 36.95 1s4d s ILE 129 CO 0.05 0.03 0.50 0.28 -1.23 0.00 0.00 174.94 174.56 1s4d s THR 130 N 1.95 4.94 0.48 2.92 -1.32 -1.26 -3.22 115.64 120.14 1s4d s THR 130 Ca 0.58 0.70 0.15 0.00 -1.21 0.00 0.00 61.69 61.91 1s4d s THR 130 Cb -0.27 -3.70 0.23 0.00 -1.51 0.00 0.00 72.50 67.24 1s4d s THR 130 CO 0.25 0.26 2.07 0.00 -2.21 0.00 0.00 174.62 174.99 1s4d h ALA 131 N 3.61 1.85 0.00 11.08 0.00 -1.94 -0.95 119.26 132.91 1s4d h ALA 131 Ca -0.49 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1s4d h ALA 131 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1s4d h ALA 131 CO 0.66 0.11 0.00 0.41 0.00 0.00 0.00 179.25 180.43 1s4d n GLY 132 N -1.27 -0.92 1.40 0.00 0.00 -1.26 -2.10 105.19 101.04 1s4d n GLY 132 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1s4d n GLY 132 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1s4d n ILE 133 N -1.45 0.29 -0.25 -0.61 5.41 -0.49 -4.63 119.36 117.62 1s4d n ILE 133 Ca 0.04 0.09 -0.06 0.00 1.00 0.00 0.00 62.75 63.82 1s4d n ILE 133 Cb 0.15 -0.82 0.05 0.00 -0.71 0.00 0.00 39.64 38.30 1s4d n ILE 133 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1s4d h GLY 134 N 0.00 1.07 0.80 7.39 0.00 -1.40 -1.47 103.07 109.46 1s4d h GLY 134 Ca 0.00 -0.53 0.04 0.00 0.00 0.00 0.00 47.33 46.84 1s4d h GLY 134 CO 0.00 0.51 0.39 -1.33 0.00 0.00 0.00 176.54 176.11 1s4d h GLY 135 N 0.96 0.95 1.66 4.60 0.00 -1.35 -2.29 103.07 107.61 1s4d h GLY 135 Ca 0.24 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.17 1s4d h GLY 135 CO -0.03 0.22 -0.37 1.41 0.00 0.00 0.00 176.54 177.77 1s4d h LEU 136 N 0.75 0.39 -1.50 3.11 3.38 -1.13 -2.57 115.31 117.76 1s4d h LEU 136 Ca 0.27 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1s4d h LEU 136 Cb 0.08 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1s4d h LEU 136 CO -0.13 0.74 0.15 0.00 0.09 0.00 0.00 178.44 179.28 1s4d h ALA 137 N 1.28 1.61 0.00 1.53 0.00 -0.72 0.91 119.26 123.87 1s4d h ALA 137 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1s4d h ALA 137 Cb 0.81 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1s4d h ALA 137 CO 0.06 0.31 0.00 0.66 0.00 0.00 0.00 179.25 180.29 1s4d n TYR 138 N -4.41 0.00 -0.43 0.00 4.02 -0.97 -1.73 117.16 113.64 1s4d n TYR 138 Ca 0.02 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.00 1s4d n TYR 138 Cb 0.13 -0.36 0.26 0.00 -0.02 0.00 0.00 39.34 39.36 1s4d n TYR 138 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1s4d n ALA 139 N -1.36 2.55 -2.03 -0.72 0.00 0.27 -4.67 120.51 114.55 1s4d n ALA 139 Ca 0.08 -1.43 -0.15 0.00 0.00 0.00 0.00 53.44 51.94 1s4d n ALA 139 Cb 0.19 -0.75 -0.02 0.00 0.00 0.00 0.00 19.45 18.87 1s4d n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 140 N 0.88 0.28 3.02 0.00 0.00 -0.71 -4.69 105.19 103.97 1s4d n GLY 140 Ca 0.20 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1s4d n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s4d s ILE 141 N -2.69 1.90 0.47 -0.61 1.01 -0.94 -3.30 121.20 117.04 1s4d s ILE 141 Ca 0.00 -1.43 -0.21 0.00 0.00 0.00 0.00 60.65 59.01 1s4d s ILE 141 Cb 0.00 -2.06 -0.08 0.00 0.01 0.00 0.00 42.46 40.33 1s4d s ILE 141 CO 0.00 -0.03 1.06 -2.84 0.00 0.00 0.00 174.94 173.14 1s4d s PRO 142 N 1.23 3.82 0.30 2.79 0.02 -1.26 -3.44 135.00 138.46 1s4d s PRO 142 Ca -0.07 1.47 0.16 0.00 0.02 0.00 0.00 61.00 62.57 1s4d s PRO 142 Cb -0.19 -2.21 0.27 0.00 0.02 0.00 0.00 34.50 32.39 1s4d s PRO 142 CO -0.06 -0.44 1.54 -0.39 -0.33 0.00 0.00 177.00 177.32 1s4d h VAL 143 N 1.68 0.94 -3.97 3.83 -1.51 -1.89 -3.45 116.25 111.87 1s4d h VAL 143 Ca -0.49 -2.07 -0.34 0.00 -1.23 0.00 0.00 66.70 62.57 1s4d h VAL 143 Cb 1.23 2.28 -0.26 0.00 -2.13 0.00 0.00 31.29 32.41 1s4d h VAL 143 CO 0.60 0.49 -0.76 0.42 -1.23 0.00 0.00 177.57 177.08 1s4d s THR 144 N -3.17 0.61 -0.28 7.19 -4.23 -1.26 -4.78 115.64 109.73 1s4d s THR 144 Ca 0.02 -0.63 -0.12 0.00 -1.18 0.00 0.00 61.69 59.79 1s4d s THR 144 Cb 0.09 -0.57 0.11 0.00 1.34 0.00 0.00 72.50 73.47 1s4d s THR 144 CO 0.73 -0.03 0.64 -2.28 -0.54 0.00 0.00 174.62 173.14 1s4d s HIS 145 N -0.62 -1.20 0.53 3.99 5.04 -1.26 -5.05 115.29 116.73 1s4d s HIS 145 Ca -0.01 2.19 0.33 0.00 -1.54 0.00 0.00 55.06 56.02 1s4d s HIS 145 Cb -0.06 0.70 1.84 0.00 0.04 0.00 0.00 32.58 35.11 1s4d s HIS 145 CO 0.00 -0.60 2.22 0.07 -2.34 0.00 0.00 174.74 174.09 1s4d h ARG 146 N 7.67 0.00 0.00 2.88 -0.00 -2.01 0.14 114.38 123.05 1s4d h ARG 146 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.76 1s4d h ARG 146 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.11 1s4d h ARG 146 CO 0.13 0.04 0.00 -1.91 -0.00 0.00 0.00 179.97 178.22 1s4d n GLU 147 N -3.57 0.33 0.00 0.08 2.13 -1.26 -4.25 120.64 114.10 1s4d n GLU 147 Ca -0.02 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1s4d n GLU 147 Cb 0.14 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.35 1s4d n GLU 147 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1s4d n VAL 148 N -1.29 0.00 -3.68 6.31 0.31 0.39 -5.11 118.33 115.26 1s4d n VAL 148 Ca 0.11 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.30 1s4d n VAL 148 Cb 0.20 -0.50 -0.08 0.00 -0.91 0.00 0.00 33.84 32.54 1s4d n VAL 148 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1s4d s ASN 149 N -3.94 -0.49 -0.11 4.52 4.22 -0.71 -4.82 114.94 113.62 1s4d s ASN 149 Ca 0.00 0.79 0.14 0.00 -2.14 0.00 0.00 52.86 51.65 1s4d s ASN 149 Cb 0.00 0.81 0.42 0.00 1.28 0.00 0.00 41.25 43.76 1s4d s ASN 149 CO 0.00 -0.32 1.33 1.41 -2.04 0.00 0.00 177.10 177.48 1s4d n HIS 150 N 2.13 0.67 -3.64 1.54 8.25 -1.26 -4.27 115.22 118.65 1s4d n HIS 150 Ca -0.16 -0.75 -0.10 0.00 -0.26 0.00 0.00 57.72 56.44 1s4d n HIS 150 Cb 0.56 -0.20 -0.07 0.00 1.12 0.00 0.00 29.99 31.40 1s4d n HIS 150 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s4d s ALA 151 N -2.18 -1.88 0.05 -1.41 0.00 -1.26 -5.12 121.76 109.96 1s4d s ALA 151 Ca 0.33 2.14 0.06 0.00 0.00 0.00 0.00 51.96 54.50 1s4d s ALA 151 Cb 0.25 -1.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 1s4d s ALA 151 CO 0.10 -0.34 -0.18 0.08 0.00 0.00 0.00 175.76 175.43 1s4d s VAL 152 N 0.82 1.41 -0.12 0.00 1.01 -1.26 -3.95 120.40 118.31 1s4d s VAL 152 Ca -0.03 -1.16 0.01 0.00 0.00 0.00 0.00 61.98 60.80 1s4d s VAL 152 Cb -0.05 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 1s4d s VAL 152 CO -0.08 0.07 -0.16 -0.89 0.00 0.00 0.00 175.10 174.04 1s4d s THR 153 N -0.88 2.80 -0.16 3.92 2.01 -1.02 -5.05 115.64 117.26 1s4d s THR 153 Ca 0.04 -0.75 -0.07 0.00 0.31 0.00 0.00 61.69 61.22 1s4d s THR 153 Cb -0.09 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1s4d s THR 153 CO 0.02 0.53 0.06 -0.36 -0.69 0.00 0.00 174.62 174.18 1s4d s PHE 154 N 0.36 3.28 0.20 4.92 0.40 -1.26 -1.09 117.98 124.78 1s4d s PHE 154 Ca -0.13 0.14 0.01 0.00 -0.60 0.00 0.00 56.93 56.35 1s4d s PHE 154 Cb -0.16 -2.03 -0.05 0.00 0.51 0.00 0.00 43.02 41.29 1s4d s PHE 154 CO 0.06 0.25 0.04 -0.48 0.70 0.00 0.00 175.22 175.80 1s4d s LEU 155 N 0.08 1.90 -0.06 -0.37 -0.00 -0.23 -4.99 118.68 115.01 1s4d s LEU 155 Ca 0.05 -1.25 0.00 0.00 -0.00 0.00 0.00 54.13 52.94 1s4d s LEU 155 Cb -0.12 0.01 -0.03 0.00 -0.00 0.00 0.00 46.19 46.05 1s4d s LEU 155 CO 0.01 -0.64 -0.04 0.28 -0.00 0.00 0.00 176.35 175.96 1s4d s THR 156 N -3.73 3.94 -1.08 5.48 -1.32 -1.26 0.67 115.64 118.34 1s4d s THR 156 Ca 0.29 -0.46 0.16 0.00 -1.21 0.00 0.00 61.69 60.47 1s4d s THR 156 Cb 0.07 -2.66 0.65 0.00 -1.51 0.00 0.00 72.50 69.05 1s4d s THR 156 CO 0.07 0.55 1.54 0.61 -2.21 0.00 0.00 174.62 175.18 1s4d n GLY 157 N 2.01 2.46 2.92 6.08 0.00 -0.36 -4.93 105.19 113.38 1s4d n GLY 157 Ca -0.17 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 1s4d n GLY 157 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1s4d s HIS 158 N -1.92 -0.15 0.20 1.61 2.46 -1.25 -4.78 115.29 111.45 1s4d s HIS 158 Ca 0.46 0.45 -0.33 0.00 0.47 0.00 0.00 55.06 56.11 1s4d s HIS 158 Cb 0.30 -0.08 -0.14 0.00 -0.13 0.00 0.00 32.58 32.54 1s4d s HIS 158 CO 0.21 -0.15 1.50 -0.25 -2.47 0.00 0.00 174.74 173.58 1s4d n ASP 159 N 4.08 2.95 -4.24 9.88 8.00 -1.26 -5.12 116.55 130.84 1s4d n ASP 159 Ca -0.25 1.11 -0.32 0.00 0.71 0.00 0.00 54.79 56.04 1s4d n ASP 159 Cb 0.52 -1.43 -0.17 0.00 -0.02 0.00 0.00 41.12 40.03 1s4d n ASP 159 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1s4d s ARG 167 N 0.31 3.10 0.20 -1.24 6.06 -1.26 -5.23 118.95 120.89 1s4d s ARG 167 Ca 0.74 -0.85 -0.31 0.00 -2.50 0.00 0.00 55.73 52.80 1s4d s ARG 167 Cb -0.67 -2.35 -0.11 0.00 0.06 0.00 0.00 34.95 31.89 1s4d s ARG 167 CO 0.43 0.18 1.61 0.42 -2.50 0.00 0.00 175.30 175.44 1s4d s ILE 168 N 0.36 2.38 -0.55 4.11 1.01 -1.26 -4.97 121.20 122.28 1s4d s ILE 168 Ca -0.17 0.28 -0.27 0.00 0.00 0.00 0.00 60.65 60.49 1s4d s ILE 168 Cb -0.18 -3.18 0.03 0.00 0.01 0.00 0.00 42.46 39.15 1s4d s ILE 168 CO 0.08 0.03 1.08 0.21 0.00 0.00 0.00 174.94 176.34 1s4d s ASN 169 N 1.02 6.44 0.23 3.58 3.04 -1.26 -4.89 114.94 123.10 1s4d s ASN 169 Ca 0.70 0.01 0.12 0.00 0.04 0.00 0.00 52.86 53.73 1s4d s ASN 169 Cb -0.46 -2.51 0.09 0.00 -1.54 0.00 0.00 41.25 36.84 1s4d s ASN 169 CO 0.34 -1.33 1.45 -0.50 -3.04 0.00 0.00 177.10 174.02 1s4d h TRP 170 N 9.39 0.00 -0.39 0.43 4.06 -1.94 -1.74 115.95 125.76 1s4d h TRP 170 Ca -0.25 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.58 1s4d h TRP 170 Cb 1.06 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.22 1s4d h TRP 170 CO 0.97 0.70 -0.24 0.37 -3.56 0.00 0.00 178.44 176.69 1s4d h GLN 171 N 0.00 0.85 0.48 0.49 5.75 -1.89 0.18 115.11 120.97 1s4d h GLN 171 Ca -0.01 -0.39 -0.01 0.00 -0.15 0.00 0.00 58.65 58.08 1s4d h GLN 171 Cb 1.42 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.95 1s4d h GLN 171 CO 0.09 1.03 -0.34 0.78 -2.65 0.00 0.00 178.83 177.74 1s4d h GLY 172 N 0.65 -0.87 0.99 2.39 0.00 -1.87 -2.64 103.07 101.72 1s4d h GLY 172 Ca 0.08 0.39 0.01 0.00 0.00 0.00 0.00 47.33 47.81 1s4d h GLY 172 CO 0.07 -0.32 0.46 -2.22 0.00 0.00 0.00 176.54 174.53 1s4d h ILE 173 N -0.80 1.17 0.00 2.60 2.04 -1.29 -2.70 117.51 118.52 1s4d h ILE 173 Ca -0.05 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1s4d h ILE 173 Cb 0.68 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1s4d h ILE 173 CO 0.02 0.17 0.00 0.00 0.00 0.00 0.00 178.15 178.34 1s4d n ALA 174 N -2.29 -0.10 -3.14 1.87 0.00 0.63 -3.18 120.51 114.30 1s4d n ALA 174 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.13 1s4d n ALA 174 Cb 0.02 0.16 -0.02 0.00 0.00 0.00 0.00 19.45 19.61 1s4d n ALA 174 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1s4d n SER 175 N -1.35 5.47 -0.45 0.00 3.41 -1.02 -4.10 113.62 115.58 1s4d n SER 175 Ca 0.00 -3.45 0.00 0.00 -0.26 0.00 0.00 58.87 55.16 1s4d n SER 175 Cb 0.00 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 62.92 1s4d n SER 175 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s4d n GLY 176 N 1.05 0.42 3.64 5.00 0.00 -1.02 -4.93 105.19 109.35 1s4d n GLY 176 Ca 0.28 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.25 1s4d n GLY 176 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s4d s SER 177 N -0.59 -0.60 0.00 1.61 1.04 -1.24 -4.97 113.70 108.94 1s4d s SER 177 Ca 0.00 1.01 0.22 0.00 0.48 0.00 0.00 55.95 57.67 1s4d s SER 177 Cb 0.00 1.19 0.96 0.00 0.10 0.00 0.00 66.02 68.27 1s4d s SER 177 CO 0.00 -0.16 1.71 -2.65 0.98 0.00 0.00 173.24 173.12 1s4d n PRO 178 N 3.46 0.02 -4.55 4.02 -0.02 -1.26 -4.60 135.00 132.08 1s4d n PRO 178 Ca -0.17 0.11 -0.31 0.00 -2.02 0.00 0.00 63.50 61.11 1s4d n PRO 178 Cb 0.57 -1.50 -0.17 0.00 -0.02 0.00 0.00 33.50 32.39 1s4d n PRO 178 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s4d s VAL 179 N -2.97 1.87 -0.09 -1.45 1.01 -1.25 -4.33 120.40 113.19 1s4d s VAL 179 Ca 0.12 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.28 1s4d s VAL 179 Cb 0.15 -1.67 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 1s4d s VAL 179 CO 0.40 0.51 -0.24 -0.63 0.00 0.00 0.00 175.10 175.14 1s4d s ILE 180 N 0.92 2.05 -0.16 2.22 1.01 0.23 -2.43 121.20 125.04 1s4d s ILE 180 Ca -0.06 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.58 1s4d s ILE 180 Cb -0.15 -1.76 0.02 0.00 0.01 0.00 0.00 42.46 40.57 1s4d s ILE 180 CO -0.03 0.56 -0.20 -0.69 0.00 0.00 0.00 174.94 174.59 1s4d s VAL 181 N 0.22 1.98 -0.16 2.92 1.01 -0.25 0.73 120.40 126.85 1s4d s VAL 181 Ca -0.15 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 60.94 1s4d s VAL 181 Cb -0.17 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.44 1s4d s VAL 181 CO 0.08 0.53 -0.20 -0.04 0.00 0.00 0.00 175.10 175.47 1s4d s MET 182 N 1.16 2.85 0.15 2.72 1.00 0.23 -1.07 119.30 126.33 1s4d s MET 182 Ca 0.01 -0.78 -0.08 0.00 0.00 0.00 0.00 55.69 54.83 1s4d s MET 182 Cb -0.14 -2.41 -0.06 0.00 0.00 0.00 0.00 34.83 32.22 1s4d s MET 182 CO -0.09 -0.14 0.45 0.71 0.00 0.00 0.00 175.02 175.95 1s4d s TYR 183 N 1.13 3.50 -1.23 -0.03 1.51 0.21 -1.96 117.35 120.48 1s4d s TYR 183 Ca -0.00 0.76 -0.11 0.00 -1.01 0.00 0.00 57.07 56.71 1s4d s TYR 183 Cb -0.14 -2.16 -0.01 0.00 -0.11 0.00 0.00 41.96 39.55 1s4d s TYR 183 CO -0.08 0.41 0.70 -1.33 -1.11 0.00 0.00 175.55 174.14 1s4d n MET 184 N 0.31 -2.53 0.00 -0.62 2.81 -1.26 -1.23 117.12 114.61 1s4d n MET 184 Ca -0.03 0.50 0.01 0.00 -1.81 0.00 0.00 57.70 56.37 1s4d n MET 184 Cb 0.52 -4.54 0.00 0.00 -0.71 0.00 0.00 33.22 28.49 1s4d n MET 184 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1s4d n ALA 185 N -4.19 2.42 0.33 3.04 0.00 -1.26 -3.18 120.51 117.66 1s4d n ALA 185 Ca -0.18 -0.32 -0.18 0.00 0.00 0.00 0.00 53.44 52.76 1s4d n ALA 185 Cb 0.63 -0.09 -0.10 0.00 0.00 0.00 0.00 19.45 19.89 1s4d n ALA 185 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1s4d h MET 186 N 0.31 -1.00 -1.07 0.00 2.86 -1.91 -1.16 114.93 112.96 1s4d h MET 186 Ca 0.00 0.07 0.31 0.00 -2.06 0.00 0.00 59.70 58.02 1s4d h MET 186 Cb 0.09 0.23 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 1s4d h MET 186 CO 0.00 -0.67 0.80 -0.22 1.06 0.00 0.00 176.91 177.88 1s4d h LYS 187 N -1.04 0.00 0.00 1.72 1.63 -1.95 -1.58 116.57 115.34 1s4d h LYS 187 Ca -0.08 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.64 1s4d h LYS 187 Cb 0.88 0.00 -0.18 0.00 -0.60 0.00 0.00 32.23 32.32 1s4d h LYS 187 CO -0.01 0.00 -0.75 0.72 -3.45 0.00 0.00 179.45 175.96 1s4d n HIS 188 N -4.14 0.00 -0.20 1.91 8.25 -1.14 -4.85 115.22 115.06 1s4d n HIS 188 Ca 0.23 -1.00 0.01 0.00 -0.26 0.00 0.00 57.72 56.69 1s4d n HIS 188 Cb 1.16 -0.20 0.26 0.00 1.12 0.00 0.00 29.99 32.33 1s4d n HIS 188 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 1s4d h ILE 189 N 3.89 1.19 0.29 1.59 6.09 -0.16 -1.35 117.51 129.06 1s4d h ILE 189 Ca -0.11 -0.34 -0.01 0.00 -1.37 0.00 0.00 64.86 63.04 1s4d h ILE 189 Cb 1.43 0.12 -0.01 0.00 0.47 0.00 0.00 36.82 38.83 1s4d h ILE 189 CO 0.05 0.18 -0.21 1.23 -3.07 0.00 0.00 178.15 176.33 1s4d h GLY 190 N 0.98 -0.51 0.88 8.18 0.00 -1.86 -0.90 103.07 109.83 1s4d h GLY 190 Ca 0.27 0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.83 1s4d h GLY 190 CO -0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 176.54 176.26 1s4d h ALA 191 N 0.17 -0.04 -0.57 3.60 0.00 -1.88 -1.71 119.26 118.83 1s4d h ALA 191 Ca -0.02 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.93 1s4d h ALA 191 Cb 0.43 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.15 1s4d h ALA 191 CO 0.01 -0.46 0.07 0.82 0.00 0.00 0.00 179.25 179.69 1s4d h ILE 192 N -0.17 0.61 -0.44 0.00 2.04 -1.19 0.18 117.51 118.53 1s4d h ILE 192 Ca -0.00 -0.07 -0.11 0.00 1.00 0.00 0.00 64.86 65.68 1s4d h ILE 192 Cb 0.15 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1s4d h ILE 192 CO 0.01 0.04 -0.15 0.71 0.00 0.00 0.00 178.15 178.75 1s4d h THR 193 N 0.19 1.27 -0.38 -0.27 1.35 -1.13 -2.07 112.91 111.87 1s4d h THR 193 Ca 0.29 -1.29 0.04 0.00 -0.55 0.00 0.00 66.41 64.90 1s4d h THR 193 Cb 0.45 1.17 -0.02 0.00 -1.73 0.00 0.00 68.15 68.02 1s4d h THR 193 CO -0.42 0.44 0.26 0.00 -0.25 0.00 0.00 175.52 175.55 1s4d h ALA 194 N 0.85 1.89 -0.09 6.62 0.00 -0.31 -0.68 119.26 127.54 1s4d h ALA 194 Ca 0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1s4d h ALA 194 Cb 0.71 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1s4d h ALA 194 CO 0.05 0.05 -0.11 -0.91 0.00 0.00 0.00 179.25 178.33 1s4d h ASN 195 N 0.37 0.25 -0.54 0.00 -0.26 -0.37 -0.76 115.58 114.27 1s4d h ASN 195 Ca 0.16 -0.51 0.04 0.00 -0.56 0.00 0.00 56.30 55.43 1s4d h ASN 195 Cb 0.17 -0.07 -0.04 0.00 -1.06 0.00 0.00 38.32 37.32 1s4d h ASN 195 CO -0.04 0.71 0.30 -0.07 -1.06 0.00 0.00 177.43 177.28 1s4d h LEU 196 N -0.20 0.47 -0.56 1.61 3.38 -0.78 0.93 115.31 120.15 1s4d h LEU 196 Ca 0.01 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1s4d h LEU 196 Cb 0.65 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1s4d h LEU 196 CO 0.03 0.32 0.15 0.40 0.09 0.00 0.00 178.44 179.43 1s4d h ILE 197 N 0.59 1.24 -0.85 1.22 2.04 -1.12 -1.36 117.51 119.28 1s4d h ILE 197 Ca 0.23 -0.85 0.01 0.00 1.00 0.00 0.00 64.86 65.24 1s4d h ILE 197 Cb 0.08 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 1s4d h ILE 197 CO -0.13 0.32 0.56 0.00 0.00 0.00 0.00 178.15 178.90 1s4d h ALA 198 N 1.03 1.07 0.00 1.87 0.00 -0.62 -1.90 119.26 120.71 1s4d h ALA 198 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1s4d h ALA 198 Cb 0.32 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1s4d h ALA 198 CO -0.00 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.14 1s4d n GLY 199 N -1.33 -0.59 0.00 0.00 0.00 0.32 -4.84 105.19 98.74 1s4d n GLY 199 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1s4d n GLY 199 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s4d n GLY 200 N -0.83 1.52 3.78 -0.02 0.00 -0.65 -4.34 105.19 104.65 1s4d n GLY 200 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1s4d n GLY 200 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s4d s ARG 201 N -0.08 3.90 0.26 1.61 1.81 -0.61 -4.97 118.95 120.86 1s4d s ARG 201 Ca 0.00 1.63 -0.30 0.00 -1.72 0.00 0.00 55.73 55.34 1s4d s ARG 201 Cb 0.00 -2.41 -0.10 0.00 -0.45 0.00 0.00 34.95 31.99 1s4d s ARG 201 CO 0.00 -0.40 1.48 0.45 -0.68 0.00 0.00 175.30 176.14 1s4d s SER 202 N -1.51 6.59 0.54 0.23 0.15 -1.26 -4.27 113.70 114.17 1s4d s SER 202 Ca 0.62 2.73 0.27 0.00 0.70 0.00 0.00 55.95 60.26 1s4d s SER 202 Cb -0.25 -2.62 1.42 0.00 -1.71 0.00 0.00 66.02 62.86 1s4d s SER 202 CO 0.30 -0.75 1.98 -0.65 1.20 0.00 0.00 173.24 175.32 1s4d h PRO 203 N 5.04 0.00 -0.66 5.44 0.11 -1.93 -2.39 132.00 137.61 1s4d h PRO 203 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1s4d h PRO 203 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1s4d h PRO 203 CO 0.78 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.32 1s4d n ASP 204 N -4.32 4.56 -4.73 -2.05 8.00 -1.26 -1.54 116.55 115.20 1s4d n ASP 204 Ca 0.11 -2.41 -0.42 0.00 0.71 0.00 0.00 54.79 52.78 1s4d n ASP 204 Cb 0.66 -0.57 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 1s4d n ASP 204 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1s4d s GLU 205 N -1.81 4.38 0.34 -1.24 2.12 -0.90 -4.80 118.70 116.79 1s4d s GLU 205 Ca 0.49 2.04 -0.29 0.00 0.36 0.00 0.00 54.97 57.57 1s4d s GLU 205 Cb 0.31 -3.22 -0.11 0.00 0.26 0.00 0.00 34.13 31.37 1s4d s GLU 205 CO 0.24 -0.29 1.53 -2.30 -0.54 0.00 0.00 175.26 173.90 1s4d n PRO 206 N 3.00 2.67 -4.01 4.30 -0.02 -1.26 -1.39 135.00 138.28 1s4d n PRO 206 Ca 0.07 0.94 -0.08 0.00 -2.02 0.00 0.00 63.50 62.41 1s4d n PRO 206 Cb 0.43 -2.69 -0.10 0.00 -0.02 0.00 0.00 33.50 31.12 1s4d n PRO 206 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1s4d s VAL 207 N -0.62 0.16 0.00 -1.45 -7.23 -0.14 -1.82 120.40 109.30 1s4d s VAL 207 Ca 0.58 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 1s4d s VAL 207 Cb -0.49 -0.89 -0.01 0.00 0.56 0.00 0.00 36.38 35.56 1s4d s VAL 207 CO 0.57 -0.71 -0.02 0.00 -0.31 0.00 0.00 175.10 174.63 1s4d s ALA 208 N -2.67 0.11 -0.11 1.32 0.00 -0.56 0.44 121.76 120.28 1s4d s ALA 208 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1s4d s ALA 208 Cb -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1s4d s ALA 208 CO -0.05 -0.01 -0.11 -0.06 0.00 0.00 0.00 175.76 175.52 1s4d s PHE 209 N -0.35 2.84 -0.26 0.00 0.08 -0.33 -1.39 117.98 118.57 1s4d s PHE 209 Ca -0.03 -0.44 0.02 0.00 0.12 0.00 0.00 56.93 56.60 1s4d s PHE 209 Cb -0.03 -1.81 0.07 0.00 -0.57 0.00 0.00 43.02 40.68 1s4d s PHE 209 CO -0.00 -0.06 -0.05 0.08 -0.10 0.00 0.00 175.22 175.09 1s4d s VAL 210 N 0.05 1.75 0.02 -0.44 1.01 -0.65 -1.25 120.40 120.88 1s4d s VAL 210 Ca -0.04 -1.46 -0.18 0.00 0.00 0.00 0.00 61.98 60.30 1s4d s VAL 210 Cb -0.14 -2.02 -0.06 0.00 0.00 0.00 0.00 36.38 34.16 1s4d s VAL 210 CO 0.04 -0.17 0.50 0.00 0.00 0.00 0.00 175.10 175.48 1s4d n ASN 212 N 2.10 -0.16 -4.50 0.00 4.13 -0.73 -1.91 115.26 114.20 1s4d n ASN 212 Ca -0.11 -1.13 -0.55 0.00 1.68 0.00 0.00 54.58 54.47 1s4d n ASN 212 Cb 0.51 -2.33 -0.06 0.00 -1.54 0.00 0.00 39.78 36.36 1s4d n ASN 212 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1s4d n ALA 213 N -4.46 -2.87 -1.85 5.41 0.00 -1.26 -2.42 120.51 113.06 1s4d n ALA 213 Ca -0.26 0.54 -0.08 0.00 0.00 0.00 0.00 53.44 53.64 1s4d n ALA 213 Cb 0.66 -1.79 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 1s4d n ALA 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s4d n ALA 214 N 1.24 -0.20 -2.38 0.00 0.00 -1.26 -4.55 120.51 113.37 1s4d n ALA 214 Ca 0.19 0.08 -0.19 0.00 0.00 0.00 0.00 53.44 53.52 1s4d n ALA 214 Cb 0.15 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.38 1s4d n ALA 214 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1s4d s THR 215 N -2.36 1.56 0.59 0.00 -4.23 -1.01 -1.38 115.64 108.80 1s4d s THR 215 Ca 0.00 -2.14 0.29 0.00 -1.18 0.00 0.00 61.69 58.66 1s4d s THR 215 Cb 0.00 -2.27 0.38 0.00 1.34 0.00 0.00 72.50 71.95 1s4d s THR 215 CO 0.00 -0.42 1.91 -0.65 -0.54 0.00 0.00 174.62 174.92 1s4d h PRO 216 N 2.42 0.00 -0.11 3.99 0.11 -1.96 -0.51 132.00 135.94 1s4d h PRO 216 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1s4d h PRO 216 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1s4d h PRO 216 CO 0.65 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.48 1s4d n GLN 217 N -3.72 1.50 -1.51 1.05 1.13 -1.26 -4.96 117.38 109.62 1s4d n GLN 217 Ca 0.08 -0.76 -0.46 0.00 -1.94 0.00 0.00 57.00 53.92 1s4d n GLN 217 Cb 0.65 -1.37 -0.02 0.00 0.11 0.00 0.00 30.24 29.61 1s4d n GLN 217 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1s4d n GLN 218 N -0.02 0.75 -3.73 -1.09 7.27 -0.20 -4.78 117.38 115.58 1s4d n GLN 218 Ca 0.16 0.26 -0.12 0.00 0.07 0.00 0.00 57.00 57.37 1s4d n GLN 218 Cb 0.25 -1.48 -0.11 0.00 2.41 0.00 0.00 30.24 31.31 1s4d n GLN 218 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1s4d s ALA 219 N -1.00 -0.90 0.01 1.69 0.00 -0.80 -5.00 121.76 115.77 1s4d s ALA 219 Ca 0.62 1.20 0.07 0.00 0.00 0.00 0.00 51.96 53.85 1s4d s ALA 219 Cb -0.81 -0.72 -0.02 0.00 0.00 0.00 0.00 23.12 21.57 1s4d s ALA 219 CO 0.58 -0.21 -0.20 0.08 0.00 0.00 0.00 175.76 176.01 1s4d s VAL 220 N 0.80 1.61 -0.07 0.00 1.01 -1.26 -0.76 120.40 121.74 1s4d s VAL 220 Ca -0.05 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 60.93 1s4d s VAL 220 Cb -0.06 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.96 1s4d s VAL 220 CO -0.06 0.32 -0.14 -0.22 0.00 0.00 0.00 175.10 175.00 1s4d s LEU 221 N -0.83 1.72 -0.18 3.92 0.20 -0.38 -4.97 118.68 118.16 1s4d s LEU 221 Ca 0.07 -0.33 -0.06 0.00 0.69 0.00 0.00 54.13 54.50 1s4d s LEU 221 Cb -0.08 -0.90 -0.04 0.00 -0.43 0.00 0.00 46.19 44.74 1s4d s LEU 221 CO 0.01 0.06 0.03 -1.61 -0.29 0.00 0.00 176.35 174.54 1s4d s GLU 222 N 0.59 3.88 0.00 1.98 2.02 -1.26 -1.19 118.70 124.72 1s4d s GLU 222 Ca -0.15 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 54.45 1s4d s GLU 222 Cb -0.16 -3.13 0.00 0.00 0.10 0.00 0.00 34.13 30.94 1s4d s GLU 222 CO 0.04 0.25 0.00 2.41 0.02 0.00 0.00 175.26 177.98 1s4d n THR 223 N 3.58 0.00 -3.72 3.63 -1.04 0.17 -4.99 114.28 111.90 1s4d n THR 223 Ca -0.17 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.71 1s4d n THR 223 Cb 0.52 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.95 1s4d n THR 223 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1s4d s THR 224 N 0.91 0.06 0.23 12.58 2.01 -1.25 -0.96 115.64 129.22 1s4d s THR 224 Ca 0.00 -0.47 -0.07 0.00 0.31 0.00 0.00 61.69 61.46 1s4d s THR 224 Cb 0.00 -0.76 0.19 0.00 0.01 0.00 0.00 72.50 71.94 1s4d s THR 224 CO 0.00 -0.26 1.84 -0.07 -0.69 0.00 0.00 174.62 175.44 1s4d h LEU 225 N 3.54 0.75 -0.65 4.42 3.38 -1.18 -0.93 115.31 124.64 1s4d h LEU 225 Ca -0.30 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 1s4d h LEU 225 Cb 1.18 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1s4d h LEU 225 CO 0.42 0.49 0.13 0.00 0.09 0.00 0.00 178.44 179.56 1s4d h ALA 226 N 1.38 0.86 -0.01 1.53 0.00 -1.57 -3.26 119.26 118.20 1s4d h ALA 226 Ca 0.35 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1s4d h ALA 226 Cb 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1s4d h ALA 226 CO -0.17 0.61 -0.36 0.54 0.00 0.00 0.00 179.25 179.87 1s4d n ARG 227 N -4.26 0.66 0.12 0.00 1.74 -1.03 -4.50 116.66 109.39 1s4d n ARG 227 Ca 0.04 -0.42 -0.13 0.00 -0.77 0.00 0.00 57.85 56.57 1s4d n ARG 227 Cb 0.27 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.16 1s4d n ARG 227 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s4d h ALA 228 N 3.53 -0.58 -0.22 7.54 0.00 -1.22 0.57 119.26 128.88 1s4d h ALA 228 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1s4d h ALA 228 Cb 0.53 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1s4d h ALA 228 CO 0.00 -0.89 0.01 1.49 0.00 0.00 0.00 179.25 179.87 1s4d h GLU 229 N -0.57 0.09 -0.83 0.00 4.81 -1.83 -0.15 114.58 116.11 1s4d h GLU 229 Ca 0.03 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1s4d h GLU 229 Cb 0.60 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 1s4d h GLU 229 CO -0.20 0.06 0.55 0.00 -0.73 0.00 0.00 179.01 178.69 1s4d h ALA 230 N 1.18 1.42 0.10 2.92 0.00 -1.79 -2.47 119.26 120.62 1s4d h ALA 230 Ca 0.10 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1s4d h ALA 230 Cb 0.12 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 17.60 1s4d h ALA 230 CO -0.16 0.54 -0.73 -0.44 0.00 0.00 0.00 179.25 178.45 1s4d h ASP 231 N 1.11 0.47 -0.64 0.00 3.32 0.47 -1.42 116.42 119.73 1s4d h ASP 231 Ca 0.30 -0.90 0.10 0.00 0.02 0.00 0.00 57.03 56.55 1s4d h ASP 231 Cb -0.12 -0.15 -0.12 0.00 0.22 0.00 0.00 39.33 39.16 1s4d h ASP 231 CO -0.07 1.33 -0.38 0.58 -1.72 0.00 0.00 179.24 178.98 1s4d h VAL 232 N -0.32 0.12 -0.01 -1.35 2.07 -1.11 0.37 116.25 116.02 1s4d h VAL 232 Ca -0.12 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.42 1s4d h VAL 232 Cb 1.54 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1s4d h VAL 232 CO 0.14 0.00 -0.09 0.00 0.02 0.00 0.00 177.57 177.64 1s4d h ALA 233 N 0.89 -0.09 -0.69 1.67 0.00 -1.38 -1.29 119.26 118.38 1s4d h ALA 233 Ca 0.22 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1s4d h ALA 233 Cb 0.56 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1s4d h ALA 233 CO -0.72 -0.58 0.43 0.00 0.00 0.00 0.00 179.25 178.38 1s4d h ALA 234 N 0.84 0.90 0.00 0.00 0.00 -0.86 -1.86 119.26 118.29 1s4d h ALA 234 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1s4d h ALA 234 Cb 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1s4d h ALA 234 CO -0.10 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.36 1s4d n ALA 235 N -2.31 1.81 -1.22 0.00 0.00 0.13 -4.86 120.51 114.06 1s4d n ALA 235 Ca 0.07 -0.02 -0.08 0.00 0.00 0.00 0.00 53.44 53.42 1s4d n ALA 235 Cb 0.08 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.17 1s4d n ALA 235 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 236 N 0.33 0.94 3.67 0.00 0.00 -0.54 -4.98 105.19 104.61 1s4d n GLY 236 Ca 0.04 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 1s4d n GLY 236 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s4d n LEU 237 N -0.88 3.04 -4.23 0.99 4.32 -1.10 -5.04 117.00 114.12 1s4d n LEU 237 Ca -0.08 1.20 -0.13 0.00 -0.02 0.00 0.00 56.01 56.98 1s4d n LEU 237 Cb 0.31 -1.43 -0.10 0.00 -1.62 0.00 0.00 43.42 40.58 1s4d n LEU 237 CO 0.12 -0.74 -0.36 -1.61 -1.22 0.00 0.00 177.39 173.58 1s4d s GLU 238 N -1.76 1.04 0.88 3.23 2.02 -1.26 -4.89 118.70 117.96 1s4d s GLU 238 Ca 0.57 -1.47 -0.12 0.00 0.02 0.00 0.00 54.97 53.96 1s4d s GLU 238 Cb -0.61 -0.31 0.10 0.00 0.10 0.00 0.00 34.13 33.40 1s4d s GLU 238 CO 0.61 -0.07 0.98 -2.30 0.02 0.00 0.00 175.26 174.50 1s4d n PRO 239 N -0.19 -0.19 -2.85 0.39 -0.02 -1.26 -4.32 135.00 126.57 1s4d n PRO 239 Ca -0.08 0.01 -0.41 0.00 -2.02 0.00 0.00 63.50 61.00 1s4d n PRO 239 Cb 0.62 -2.26 -0.05 0.00 -0.02 0.00 0.00 33.50 31.80 1s4d n PRO 239 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1s4d s PRO 240 N -4.16 4.59 0.08 0.52 0.04 -1.26 -4.94 135.00 129.88 1s4d s PRO 240 Ca 0.67 1.26 0.06 0.00 0.04 0.00 0.00 61.00 63.03 1s4d s PRO 240 Cb -0.25 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 30.88 1s4d s PRO 240 CO 0.58 0.23 -0.16 0.00 0.04 0.00 0.00 177.00 177.68 1s4d s ALA 241 N 0.05 1.39 -0.17 8.56 0.00 -1.26 -1.77 121.76 128.57 1s4d s ALA 241 Ca 0.43 -1.09 -0.05 0.00 0.00 0.00 0.00 51.96 51.25 1s4d s ALA 241 Cb -0.22 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1s4d s ALA 241 CO 0.26 0.23 0.00 0.42 0.00 0.00 0.00 175.76 176.68 1s4d s ILE 242 N -1.27 4.26 -0.17 0.00 -1.09 -0.38 -4.28 121.20 118.27 1s4d s ILE 242 Ca 0.01 -0.23 -0.06 0.00 -2.23 0.00 0.00 60.65 58.14 1s4d s ILE 242 Cb -0.10 -2.89 -0.04 0.00 -1.58 0.00 0.00 42.46 37.85 1s4d s ILE 242 CO 0.03 0.48 0.04 -0.69 -1.23 0.00 0.00 174.94 173.56 1s4d s VAL 243 N 0.40 4.59 -0.08 2.92 1.01 -0.83 -1.64 120.40 126.77 1s4d s VAL 243 Ca -0.01 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1s4d s VAL 243 Cb -0.13 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1s4d s VAL 243 CO 0.02 0.49 -0.18 0.54 0.00 0.00 0.00 175.10 175.96 1s4d s VAL 244 N 0.21 1.58 -0.13 2.92 0.11 -0.48 0.75 120.40 125.35 1s4d s VAL 244 Ca 0.03 -0.75 -0.01 0.00 -2.93 0.00 0.00 61.98 58.31 1s4d s VAL 244 Cb -0.13 -1.38 -0.02 0.00 -1.53 0.00 0.00 36.38 33.32 1s4d s VAL 244 CO 0.01 0.45 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.47 1s4d s VAL 245 N 0.41 3.57 0.00 2.04 1.01 0.22 -1.49 120.40 126.16 1s4d s VAL 245 Ca -0.14 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1s4d s VAL 245 Cb -0.16 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.70 1s4d s VAL 245 CO 0.06 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1s4d n GLY 246 N 3.21 2.92 0.46 4.51 0.00 -0.76 -0.60 105.19 114.92 1s4d n GLY 246 Ca -0.18 -1.97 0.29 0.00 0.00 0.00 0.00 46.02 44.16 1s4d n GLY 246 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s4d h GLU 247 N 0.00 0.22 0.00 1.61 4.39 -1.85 -1.25 114.58 117.70 1s4d h GLU 247 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1s4d h GLU 247 Cb 0.00 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1s4d h GLU 247 CO 0.00 0.15 0.30 -0.39 -1.16 0.00 0.00 179.01 177.91 1s4d h VAL 248 N 0.23 0.00 0.00 3.13 -1.51 -1.91 0.28 116.25 116.47 1s4d h VAL 248 Ca 0.63 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 66.07 1s4d h VAL 248 Cb 1.92 0.35 -0.00 0.00 -2.13 0.00 0.00 31.29 31.44 1s4d h VAL 248 CO -0.23 0.00 -0.12 0.58 -1.23 0.00 0.00 177.57 176.57 1s4d h VAL 249 N 0.00 0.56 0.00 7.19 2.07 -1.57 -2.37 116.25 122.13 1s4d h VAL 249 Ca 0.00 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1s4d h VAL 249 Cb 0.60 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1s4d h VAL 249 CO 0.00 0.12 -0.08 0.03 0.02 0.00 0.00 177.57 177.66 1s4d h ARG 250 N 0.00 0.00 0.00 1.57 3.08 -0.67 -2.94 114.38 115.42 1s4d h ARG 250 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1s4d h ARG 250 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1s4d h ARG 250 CO 0.02 0.08 0.00 1.28 -1.07 0.00 0.00 179.97 180.28 1s4d n LEU 251 N -3.14 0.59 0.13 3.04 4.77 -0.89 -3.10 117.00 118.40 1s4d n LEU 251 Ca 0.03 0.68 0.02 0.00 -0.03 0.00 0.00 56.01 56.71 1s4d n LEU 251 Cb 0.49 -0.65 0.37 0.00 -2.33 0.00 0.00 43.42 41.30 1s4d n LEU 251 CO 0.33 -0.66 0.83 -0.09 -1.33 0.00 0.00 177.39 176.47 1s4d h ARG 252 N 0.00 0.19 0.00 3.23 2.43 -1.51 0.59 114.38 119.31 1s4d h ARG 252 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1s4d h ARG 252 Cb 0.24 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1s4d h ARG 252 CO 0.00 0.40 0.00 0.00 -1.51 0.00 0.00 179.97 178.86 1s4d h ALA 253 N 1.61 1.00 0.00 2.80 0.00 -1.79 -2.01 119.26 120.88 1s4d h ALA 253 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.70 1s4d h ALA 253 Cb 0.48 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1s4d h ALA 253 CO 0.03 0.00 -1.98 0.00 0.00 0.00 0.00 179.25 177.31 1s4d n ALA 254 N -1.81 1.73 0.14 0.00 0.00 -0.15 -0.47 120.51 119.95 1s4d n ALA 254 Ca 0.04 -0.91 0.03 0.00 0.00 0.00 0.00 53.44 52.60 1s4d n ALA 254 Cb 0.38 -0.11 0.04 0.00 0.00 0.00 0.00 19.45 19.76 1s4d n ALA 254 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1s4d n LEU 255 N -2.49 1.81 -3.98 0.00 4.77 0.19 -4.57 117.00 112.72 1s4d n LEU 255 Ca -0.22 -1.32 -0.35 0.00 -0.03 0.00 0.00 56.01 54.09 1s4d n LEU 255 Cb 0.92 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.89 1s4d n LEU 255 CO 0.31 0.41 1.63 -0.67 -1.33 0.00 0.00 177.39 177.74 1s4d n ASP 256 N 0.24 2.05 0.07 -1.43 4.64 -0.76 -4.29 116.55 117.06 1s4d n ASP 256 Ca 0.04 -2.61 0.00 0.00 -1.38 0.00 0.00 54.79 50.85 1s4d n ASP 256 Cb 0.21 -1.21 0.32 0.00 -1.04 0.00 0.00 41.12 39.40 1s4d n ASP 256 CO 0.00 0.00 0.00 4.11 -0.82 0.00 0.00 177.20 180.49 1s4d h TRP 257 N 9.51 0.38 -0.23 -0.67 5.08 -1.90 0.30 115.95 128.43 1s4d h TRP 257 Ca 0.26 -0.05 -0.01 0.00 1.08 0.00 0.00 58.89 60.17 1s4d h TRP 257 Cb 0.80 -0.10 -0.01 0.00 -3.00 0.00 0.00 29.16 26.84 1s4d h TRP 257 CO 1.13 0.49 0.11 0.82 -1.28 0.00 0.00 178.44 179.71 1s4d h ILE 258 N 0.33 1.14 -0.50 0.12 1.08 -1.84 -2.62 117.51 115.23 1s4d h ILE 258 Ca 0.06 -0.42 0.10 0.00 -0.39 0.00 0.00 64.86 64.22 1s4d h ILE 258 Cb 0.45 1.00 -0.08 0.00 -3.07 0.00 0.00 36.82 35.12 1s4d h ILE 258 CO 0.03 0.14 -0.01 1.23 -0.69 0.00 0.00 178.15 178.85 1s4d h GLY 259 N 0.23 0.50 1.88 5.37 0.00 -1.70 -2.04 103.07 107.31 1s4d h GLY 259 Ca 0.08 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1s4d h GLY 259 CO -0.01 -0.15 0.05 0.00 0.00 0.00 0.00 176.54 176.44 1s4d h ALA 260 N 1.45 1.04 0.17 3.60 0.00 -0.58 -2.71 119.26 122.23 1s4d h ALA 260 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1s4d h ALA 260 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1s4d h ALA 260 CO -0.43 -0.04 -0.08 -0.07 0.00 0.00 0.00 179.25 178.63 1s4d h LEU 261 N 0.00 -0.19-10.49 0.00 4.07 -1.22 -3.39 115.31 104.09 1s4d h LEU 261 Ca 0.00 -0.31 -0.47 0.00 0.08 0.00 0.00 57.88 57.18 1s4d h LEU 261 Cb 0.10 0.05 0.12 0.00 1.08 0.00 0.00 40.66 42.01 1s4d h LEU 261 CO 0.00 0.25 0.32 -1.81 -1.08 0.00 0.00 178.44 176.12 1s4d s ASP 262 N -5.37 3.83 -0.04 -0.43 1.01 -1.09 -4.90 116.67 109.68 1s4d s ASP 262 Ca -0.14 1.00 0.01 0.00 0.71 0.00 0.00 52.55 54.13 1s4d s ASP 262 Cb 0.02 -1.60 0.07 0.00 1.01 0.00 0.00 42.92 42.41 1s4d s ASP 262 CO 0.56 -2.35 1.04 0.61 0.21 0.00 0.00 175.17 175.24 1s4d n GLY 263 N -2.34 2.18 3.63 0.21 0.00 -1.25 -4.83 105.19 102.79 1s4d n GLY 263 Ca 0.07 -0.11 -0.48 0.00 0.00 0.00 0.00 46.02 45.50 1s4d n GLY 263 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1s4d n ARG 264 N 0.30 1.70 -3.30 1.61 0.63 -1.04 -4.92 116.66 111.64 1s4d n ARG 264 Ca 0.06 0.61 -0.44 0.00 -0.92 0.00 0.00 57.85 57.16 1s4d n ARG 264 Cb 0.59 -2.29 -0.08 0.00 0.45 0.00 0.00 32.46 31.13 1s4d n ARG 264 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1s4d s LYS 265 N 0.45 3.07 0.09 -0.14 2.20 -1.26 -4.33 119.74 119.82 1s4d s LYS 265 Ca 0.79 -0.95 -0.30 0.00 -0.36 0.00 0.00 55.97 55.15 1s4d s LYS 265 Cb -0.79 -4.04 -0.06 0.00 -1.51 0.00 0.00 37.83 31.43 1s4d s LYS 265 CO 0.44 -0.98 1.13 -0.51 -0.36 0.00 0.00 175.35 175.06 1s4d s LEU 266 N 2.12 4.41 0.85 5.43 1.02 -1.26 -5.02 118.68 126.23 1s4d s LEU 266 Ca 0.11 1.98 -0.12 0.00 0.02 0.00 0.00 54.13 56.12 1s4d s LEU 266 Cb -0.19 -3.59 0.13 0.00 0.02 0.00 0.00 46.19 42.56 1s4d s LEU 266 CO 0.11 -0.34 1.20 0.00 0.02 0.00 0.00 176.35 177.34 1s4d s ALA 267 N 0.56 2.64 0.36 4.21 0.00 0.38 -4.95 121.76 124.96 1s4d s ALA 267 Ca 0.54 -1.02 0.07 0.00 0.00 0.00 0.00 51.96 51.55 1s4d s ALA 267 Cb -0.28 -2.75 -0.01 0.00 0.00 0.00 0.00 23.12 20.09 1s4d s ALA 267 CO 0.31 -1.93 0.46 0.00 0.00 0.00 0.00 175.76 174.60 1s4d s ALA 268 N -3.62 4.24 -0.08 0.00 0.00 -1.26 -4.37 121.76 116.66 1s4d s ALA 268 Ca 0.67 -1.57 -0.40 0.00 0.00 0.00 0.00 51.96 50.66 1s4d s ALA 268 Cb -0.07 -1.55 -0.19 0.00 0.00 0.00 0.00 23.12 21.32 1s4d s ALA 268 CO 0.50 -0.10 1.30 -3.47 0.00 0.00 0.00 175.76 173.99 1s4d n ASP 269 N -1.64 0.92 -4.25 0.00 2.03 -1.26 -4.90 116.55 107.45 1s4d n ASP 269 Ca 0.02 1.14 -0.41 0.00 0.52 0.00 0.00 54.79 56.06 1s4d n ASP 269 Cb 0.59 -1.02 -0.01 0.00 -0.72 0.00 0.00 41.12 39.96 1s4d n ASP 269 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1s4d n PRO 270 N 2.58 2.76 0.00 -0.67 -0.02 -1.26 -5.20 135.00 133.18 1s4d n PRO 270 Ca 0.22 -2.86 0.03 0.00 -2.02 0.00 0.00 63.50 58.86 1s4d n PRO 270 Cb 0.10 -3.42 0.18 0.00 -0.02 0.00 0.00 33.50 30.33 1s4d n PRO 270 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45