#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jiy h LEU 12 N 0.00 0.97 -0.61 -2.67 5.85 -2.05 -1.39 115.31 115.41 2jiy h LEU 12 Ca 0.00 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.49 2jiy h LEU 12 Cb 0.00 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 2jiy h LEU 12 CO 0.00 0.85 0.02 0.00 -0.34 0.00 0.00 178.44 178.97 2jiy h ALA 13 N 1.29 0.83 -0.53 1.25 0.00 -2.05 -0.25 119.26 119.80 2jiy h ALA 13 Ca 0.25 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jiy h ALA 13 Cb 0.17 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2jiy h ALA 13 CO -0.02 0.66 0.32 0.77 0.00 0.00 0.00 179.25 180.97 2jiy h SER 14 N 0.98 0.63 -0.69 0.00 0.02 -1.87 -1.12 113.55 111.50 2jiy h SER 14 Ca 0.18 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 2jiy h SER 14 Cb 0.54 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 2jiy h SER 14 CO 0.03 0.50 0.16 0.25 -1.14 0.00 0.00 176.83 176.63 2jiy h LEU 15 N 0.71 1.05 -0.18 5.07 5.85 -1.13 -2.17 115.31 124.51 2jiy h LEU 15 Ca 0.19 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2jiy h LEU 15 Cb -0.02 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 2jiy h LEU 15 CO -0.04 1.01 0.09 0.00 -0.34 0.00 0.00 178.44 179.16 2jiy h ALA 16 N 1.12 0.23 -0.25 1.25 0.00 -0.73 -0.87 119.26 120.01 2jiy h ALA 16 Ca 0.22 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 2jiy h ALA 16 Cb 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2jiy h ALA 16 CO 0.00 -0.21 -0.46 0.97 0.00 0.00 0.00 179.25 179.55 2jiy h ILE 17 N 0.16 1.30 -0.24 0.00 6.09 -1.16 -0.13 117.51 123.53 2jiy h ILE 17 Ca 0.06 -1.66 0.04 0.00 -1.37 0.00 0.00 64.86 61.93 2jiy h ILE 17 Cb 0.12 1.74 -0.04 0.00 0.47 0.00 0.00 36.82 39.10 2jiy h ILE 17 CO -0.01 0.53 -0.00 0.22 -3.07 0.00 0.00 178.15 175.82 2jiy h TYR 18 N 0.48 -0.02 -0.71 2.19 3.20 -1.40 -2.24 116.97 118.47 2jiy h TYR 18 Ca 0.01 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 2jiy h TYR 18 Cb 1.06 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.34 2jiy h TYR 18 CO 0.08 -0.04 0.29 0.77 -1.64 0.00 0.00 178.16 177.62 2jiy h SER 19 N 0.07 0.97 -0.64 -2.11 0.02 -0.99 -2.91 113.55 107.95 2jiy h SER 19 Ca 0.11 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2jiy h SER 19 Cb 0.15 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 2jiy h SER 19 CO -0.20 0.86 0.35 0.15 -1.14 0.00 0.00 176.83 176.86 2jiy h PHE 20 N 1.03 0.88 -0.54 3.45 3.57 -0.62 -1.25 116.94 123.46 2jiy h PHE 20 Ca 0.24 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 2jiy h PHE 20 Cb 0.19 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 2jiy h PHE 20 CO 0.02 0.63 0.12 -1.49 -2.23 0.00 0.00 178.31 175.35 2jiy h TRP 21 N 0.87 0.85 -0.33 0.41 4.06 -1.24 0.20 115.95 120.78 2jiy h TRP 21 Ca 0.23 -0.08 -0.03 0.00 2.06 0.00 0.00 58.89 61.07 2jiy h TRP 21 Cb 0.04 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 27.94 2jiy h TRP 21 CO -0.01 0.72 0.10 0.82 -3.56 0.00 0.00 178.44 176.52 2jiy h ILE 22 N 0.79 1.21 -0.26 1.49 2.04 -1.32 -1.78 117.51 119.68 2jiy h ILE 22 Ca 0.17 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 65.38 2jiy h ILE 22 Cb 0.31 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 2jiy h ILE 22 CO 0.00 0.23 0.12 0.15 0.00 0.00 0.00 178.15 178.65 2jiy h PHE 23 N 0.37 0.22 -0.84 1.37 3.57 -0.69 -2.44 116.94 118.51 2jiy h PHE 23 Ca 0.11 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.64 2jiy h PHE 23 Cb 0.25 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.88 2jiy h PHE 23 CO 0.01 0.12 0.55 1.25 -2.23 0.00 0.00 178.31 178.00 2jiy h LEU 24 N 0.26 0.92 -0.57 0.59 5.85 -0.48 0.22 115.31 122.10 2jiy h LEU 24 Ca 0.11 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2jiy h LEU 24 Cb 0.05 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2jiy h LEU 24 CO -0.09 0.65 0.33 0.00 -0.34 0.00 0.00 178.44 178.99 2jiy h ALA 25 N 1.33 0.72 -0.64 1.25 0.00 -1.13 -0.42 119.26 120.38 2jiy h ALA 25 Ca 0.32 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 2jiy h ALA 25 Cb -0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2jiy h ALA 25 CO -0.10 0.22 0.15 0.78 0.00 0.00 0.00 179.25 180.30 2jiy h GLY 26 N 0.76 1.09 0.90 0.00 0.00 -1.02 -1.62 103.07 103.18 2jiy h GLY 26 Ca 0.20 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 2jiy h GLY 26 CO -0.04 0.62 0.08 -2.00 0.00 0.00 0.00 176.54 175.21 2jiy h LEU 27 N 0.96 0.45 -0.21 3.11 5.85 -0.54 -0.43 115.31 124.50 2jiy h LEU 27 Ca 0.20 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2jiy h LEU 27 Cb 0.35 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2jiy h LEU 27 CO 0.00 0.55 0.11 0.40 -0.34 0.00 0.00 178.44 179.16 2jiy h ILE 28 N 0.33 1.12 -0.34 4.05 2.04 -1.00 0.18 117.51 123.90 2jiy h ILE 28 Ca 0.10 -0.34 0.07 0.00 1.00 0.00 0.00 64.86 65.69 2jiy h ILE 28 Cb 0.27 0.96 -0.07 0.00 -0.74 0.00 0.00 36.82 37.24 2jiy h ILE 28 CO -0.00 0.12 -0.16 0.22 0.00 0.00 0.00 178.15 178.33 2jiy h TYR 29 N 0.22 -0.38 -0.18 1.37 3.20 -1.19 0.11 116.97 120.12 2jiy h TYR 29 Ca 0.07 0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.02 2jiy h TYR 29 Cb 0.09 0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 2jiy h TYR 29 CO -0.03 -0.23 -0.07 -0.92 -1.64 0.00 0.00 178.16 175.27 2jiy h TYR 30 N -0.10 -0.16 -0.57 -3.82 3.20 -0.72 -1.77 116.97 113.03 2jiy h TYR 30 Ca 0.17 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 2jiy h TYR 30 Cb 0.36 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 2jiy h TYR 30 CO -0.37 -0.11 0.33 -0.07 -1.64 0.00 0.00 178.16 176.30 2jiy h LEU 31 N -0.04 0.70 -0.07 2.82 3.38 -0.00 -0.92 115.31 121.19 2jiy h LEU 31 Ca 0.10 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2jiy h LEU 31 Cb 0.18 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2jiy h LEU 31 CO -0.21 0.57 0.04 -0.61 0.09 0.00 0.00 178.44 178.31 2jiy h GLN 32 N 0.77 0.09 -0.86 1.13 5.75 -0.67 -2.14 115.11 119.18 2jiy h GLN 32 Ca 0.20 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.69 2jiy h GLN 32 Cb 0.01 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.50 2jiy h GLN 32 CO -0.04 0.13 0.53 1.79 -2.65 0.00 0.00 178.83 178.59 2jiy h THR 33 N 0.03 1.23 -0.48 2.39 1.35 -1.16 -1.08 112.91 115.19 2jiy h THR 33 Ca 0.02 -0.49 0.05 0.00 -0.55 0.00 0.00 66.41 65.44 2jiy h THR 33 Cb 0.06 0.01 -0.03 0.00 -1.73 0.00 0.00 68.15 66.46 2jiy h THR 33 CO -0.00 0.24 0.32 -0.33 -0.25 0.00 0.00 175.52 175.50 2jiy h GLU 34 N 1.18 0.46 -0.23 4.72 4.39 -1.00 -2.11 114.58 122.00 2jiy h GLU 34 Ca 0.31 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.98 2jiy h GLU 34 Cb -0.07 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.47 2jiy h GLU 34 CO -0.06 0.31 0.00 0.09 -1.16 0.00 0.00 179.01 178.19 2jiy n ASN 35 N -4.48 1.24 -1.35 1.42 3.02 -0.42 -3.35 115.26 111.34 2jiy n ASN 35 Ca 0.06 -1.98 0.09 0.00 -0.03 0.00 0.00 54.58 52.72 2jiy n ASN 35 Cb 0.20 -0.15 0.31 0.00 -0.61 0.00 0.00 39.78 39.53 2jiy n ASN 35 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2jiy n MET 36 N 0.17 3.51 0.00 3.52 2.81 -0.79 -4.55 117.12 121.79 2jiy n MET 36 Ca 0.08 -2.76 0.14 0.00 -1.81 0.00 0.00 57.70 53.34 2jiy n MET 36 Cb 0.20 -1.80 0.65 0.00 -0.71 0.00 0.00 33.22 31.57 2jiy n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2jiy n ARG 37 N 0.80 0.22 -4.72 0.03 1.74 -1.21 -4.32 116.66 109.20 2jiy n ARG 37 Ca 0.23 0.02 -0.24 0.00 -0.77 0.00 0.00 57.85 57.10 2jiy n ARG 37 Cb 0.82 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.61 2jiy n ARG 37 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2jiy s GLU 38 N -2.77 1.31 0.00 5.56 0.41 -1.26 -4.17 118.70 117.78 2jiy s GLU 38 Ca 0.21 -0.55 0.00 0.00 -0.41 0.00 0.00 54.97 54.22 2jiy s GLU 38 Cb 0.18 -1.24 0.00 0.00 -1.78 0.00 0.00 34.13 31.29 2jiy s GLU 38 CO 0.46 0.31 0.00 0.41 -0.49 0.00 0.00 175.26 175.95 2jiy n GLY 39 N 2.80 1.24 3.56 -1.39 0.00 -1.26 -5.03 105.19 105.10 2jiy n GLY 39 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 2jiy n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jiy s TYR 40 N -2.62 2.65 0.68 1.61 1.51 -1.26 -4.35 117.35 115.57 2jiy s TYR 40 Ca 0.00 -0.21 -0.15 0.00 -1.01 0.00 0.00 57.07 55.70 2jiy s TYR 40 Cb 0.00 -1.33 0.01 0.00 -0.11 0.00 0.00 41.96 40.53 2jiy s TYR 40 CO 0.00 0.47 1.14 -2.14 -1.11 0.00 0.00 175.55 173.91 2jiy s PRO 41 N -2.59 2.61 0.63 -1.71 0.02 -1.26 -4.85 135.00 127.84 2jiy s PRO 41 Ca 0.23 1.50 -0.17 0.00 0.02 0.00 0.00 61.00 62.58 2jiy s PRO 41 Cb -0.10 -1.92 -0.02 0.00 0.02 0.00 0.00 34.50 32.49 2jiy s PRO 41 CO 0.14 -1.42 1.16 -0.51 -0.33 0.00 0.00 177.00 176.04 2jiy s LEU 42 N -4.94 3.54 0.18 -5.54 1.43 -1.26 -4.93 118.68 107.16 2jiy s LEU 42 Ca 0.69 2.21 0.10 0.00 -1.03 0.00 0.00 54.13 56.10 2jiy s LEU 42 Cb -0.23 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.37 2jiy s LEU 42 CO 0.42 -1.64 -0.21 -1.61 0.23 0.00 0.00 176.35 173.54 2jiy s GLU 43 N -3.66 1.39 0.88 1.70 2.02 -1.26 -1.46 118.70 118.32 2jiy s GLU 43 Ca 0.73 -1.47 -0.12 0.00 0.02 0.00 0.00 54.97 54.12 2jiy s GLU 43 Cb -0.26 -1.56 0.12 0.00 0.10 0.00 0.00 34.13 32.54 2jiy s GLU 43 CO 0.36 0.32 1.13 -0.80 0.02 0.00 0.00 175.26 176.30 2jiy s ASN 44 N -2.71 3.74 0.59 -0.19 0.01 0.60 -4.64 114.94 112.33 2jiy s ASN 44 Ca 0.18 1.04 0.29 0.00 -0.71 0.00 0.00 52.86 53.66 2jiy s ASN 44 Cb -0.07 -1.65 1.78 0.00 0.41 0.00 0.00 41.25 41.72 2jiy s ASN 44 CO 0.08 -2.41 2.25 -0.33 -1.51 0.00 0.00 177.10 175.18 2jiy h GLU 45 N -1.40 0.00 -0.14 -0.60 5.08 -2.01 -0.62 114.58 114.88 2jiy h GLU 45 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2jiy h GLU 45 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2jiy h GLU 45 CO 0.61 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.22 2jiy n ASP 46 N -3.91 1.34 0.00 1.42 5.75 -1.26 -4.93 116.55 114.96 2jiy n ASP 46 Ca -0.03 -1.68 0.00 0.00 -0.01 0.00 0.00 54.79 53.07 2jiy n ASP 46 Cb 0.08 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 2jiy n ASP 46 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jiy n GLY 47 N 1.05 0.94 3.90 6.12 0.00 -0.24 -5.06 105.19 111.91 2jiy n GLY 47 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 2jiy n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jiy s THR 48 N -2.84 4.22 0.16 2.61 -4.23 -1.26 -4.78 115.64 109.53 2jiy s THR 48 Ca 0.00 0.28 -0.31 0.00 -1.18 0.00 0.00 61.69 60.48 2jiy s THR 48 Cb 0.00 -3.66 -0.09 0.00 1.34 0.00 0.00 72.50 70.09 2jiy s THR 48 CO 0.00 -0.73 1.42 -2.84 -0.54 0.00 0.00 174.62 171.93 2jiy s PRO 49 N -4.99 4.30 0.52 3.99 0.02 -1.26 -0.29 135.00 137.29 2jiy s PRO 49 Ca 0.53 2.16 -0.20 0.00 0.02 0.00 0.00 61.00 63.50 2jiy s PRO 49 Cb -0.11 -3.20 -0.06 0.00 0.02 0.00 0.00 34.50 31.16 2jiy s PRO 49 CO 0.47 -0.43 1.14 0.00 -0.33 0.00 0.00 177.00 177.85 2jiy s ALA 50 N 0.74 2.77 0.16 -1.55 0.00 -0.53 -4.64 121.76 118.71 2jiy s ALA 50 Ca 0.63 0.86 -0.10 0.00 0.00 0.00 0.00 51.96 53.35 2jiy s ALA 50 Cb -0.39 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.38 2jiy s ALA 50 CO 0.34 -0.75 1.58 0.00 0.00 0.00 0.00 175.76 176.93 2jiy h ALA 51 N 1.44 0.71 -2.62 0.00 0.00 -1.94 -3.41 119.26 113.44 2jiy h ALA 51 Ca -0.50 -0.36 -0.72 0.00 0.00 0.00 0.00 54.91 53.34 2jiy h ALA 51 Cb 1.26 -0.18 -0.23 0.00 0.00 0.00 0.00 17.79 18.64 2jiy h ALA 51 CO 0.58 0.64 -0.46 1.21 0.00 0.00 0.00 179.25 181.22 2jiy s ASN 52 N -6.63 5.94 0.00 0.00 3.84 -1.26 -4.92 114.94 111.90 2jiy s ASN 52 Ca -0.12 -1.00 0.24 0.00 0.21 0.00 0.00 52.86 52.19 2jiy s ASN 52 Cb 0.12 -2.10 0.26 0.00 -0.55 0.00 0.00 41.25 38.99 2jiy s ASN 52 CO 0.86 -0.44 1.30 0.00 -2.79 0.00 0.00 177.10 176.03 2jiy n GLN 53 N 5.09 2.32 0.00 0.43 1.13 -1.26 -4.90 117.38 120.18 2jiy n GLN 53 Ca -0.11 -1.93 0.00 0.00 -1.94 0.00 0.00 57.00 53.02 2jiy n GLN 53 Cb 0.46 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.34 2jiy n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jiy n GLY 54 N 1.36 -3.38 0.34 1.08 0.00 -1.26 -4.64 105.19 98.69 2jiy n GLY 54 Ca 0.15 -1.85 0.13 0.00 0.00 0.00 0.00 46.02 44.45 2jiy n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jiy n PRO 55 N -0.44 1.17 -4.09 1.61 -0.04 -1.26 -4.85 135.00 127.10 2jiy n PRO 55 Ca 0.00 -0.68 -0.34 0.00 -0.04 0.00 0.00 63.50 62.44 2jiy n PRO 55 Cb 0.00 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 31.87 2jiy n PRO 55 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2jiy s PHE 56 N -2.30 3.21 0.58 0.54 0.08 -1.26 -5.10 117.98 113.74 2jiy s PHE 56 Ca 0.30 0.02 -0.11 0.00 0.12 0.00 0.00 56.93 57.26 2jiy s PHE 56 Cb 0.20 -2.04 -0.05 0.00 -0.57 0.00 0.00 43.02 40.56 2jiy s PHE 56 CO 0.44 0.15 0.99 -1.25 -0.10 0.00 0.00 175.22 175.45 2jiy s PRO 57 N 0.27 3.66 0.44 0.24 0.04 -1.26 -5.02 135.00 133.36 2jiy s PRO 57 Ca 0.02 0.72 -0.25 0.00 0.04 0.00 0.00 61.00 61.53 2jiy s PRO 57 Cb -0.13 -2.13 -0.08 0.00 0.04 0.00 0.00 34.50 32.20 2jiy s PRO 57 CO 0.01 -0.47 1.38 -0.51 0.04 0.00 0.00 177.00 177.45 2jiy s LEU 58 N -4.91 4.15 0.74 -3.56 1.43 -1.26 -4.82 118.68 110.44 2jiy s LEU 58 Ca 0.55 2.83 -0.11 0.00 -1.03 0.00 0.00 54.13 56.37 2jiy s LEU 58 Cb -0.11 -3.93 0.03 0.00 0.03 0.00 0.00 46.19 42.22 2jiy s LEU 58 CO 0.49 -1.07 1.08 -2.16 0.23 0.00 0.00 176.35 174.92 2jiy s PRO 59 N -2.38 2.56 0.38 1.29 0.04 -1.26 -5.01 135.00 130.62 2jiy s PRO 59 Ca 0.60 1.00 -0.28 0.00 0.04 0.00 0.00 61.00 62.36 2jiy s PRO 59 Cb -0.42 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.08 2jiy s PRO 59 CO 0.54 -1.38 1.39 0.15 0.04 0.00 0.00 177.00 177.73 2jiy s LYS 60 N -5.00 4.11 0.67 4.56 1.02 -1.26 -4.64 119.74 119.20 2jiy s LYS 60 Ca 0.60 2.36 -0.17 0.00 0.02 0.00 0.00 55.97 58.78 2jiy s LYS 60 Cb -0.15 -2.92 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 2jiy s LYS 60 CO 0.55 -0.45 1.24 -2.14 -0.92 0.00 0.00 175.35 173.63 2jiy s PRO 61 N -2.07 2.50 0.22 -1.68 0.02 -1.26 -4.74 135.00 127.99 2jiy s PRO 61 Ca 0.53 1.88 0.09 0.00 0.02 0.00 0.00 61.00 63.53 2jiy s PRO 61 Cb -0.42 -1.86 -0.05 0.00 0.02 0.00 0.00 34.50 32.19 2jiy s PRO 61 CO 0.56 -1.59 -0.18 -1.59 -0.33 0.00 0.00 177.00 173.88 2jiy s LYS 62 N -3.58 1.44 -0.15 5.54 -2.85 -0.37 -4.96 119.74 114.82 2jiy s LYS 62 Ca 0.78 -1.60 0.01 0.00 -1.00 0.00 0.00 55.97 54.15 2jiy s LYS 62 Cb -0.32 -1.42 0.02 0.00 -2.06 0.00 0.00 37.83 34.05 2jiy s LYS 62 CO 0.40 0.26 -0.15 0.99 0.10 0.00 0.00 175.35 176.95 2jiy s THR 63 N -2.54 1.64 -0.02 3.79 2.01 -1.26 -1.71 115.64 117.55 2jiy s THR 63 Ca 0.23 -0.68 -0.24 0.00 0.31 0.00 0.00 61.69 61.32 2jiy s THR 63 Cb -0.04 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 2jiy s THR 63 CO 0.10 0.47 0.71 -0.36 -0.69 0.00 0.00 174.62 174.84 2jiy s PHE 64 N 1.41 3.64 -0.32 4.92 0.08 0.28 -4.94 117.98 123.06 2jiy s PHE 64 Ca 0.04 1.32 -0.15 0.00 0.12 0.00 0.00 56.93 58.26 2jiy s PHE 64 Cb -0.13 -2.78 -0.02 0.00 -0.57 0.00 0.00 43.02 39.52 2jiy s PHE 64 CO -0.10 0.19 0.36 0.42 -0.10 0.00 0.00 175.22 175.98 2jiy s ILE 65 N 0.38 5.17 0.15 0.64 1.01 -1.26 -1.34 121.20 125.95 2jiy s ILE 65 Ca 0.37 0.21 -0.18 0.00 0.00 0.00 0.00 60.65 61.05 2jiy s ILE 65 Cb -0.19 -3.77 -0.07 0.00 0.01 0.00 0.00 42.46 38.44 2jiy s ILE 65 CO 0.20 -0.01 0.62 -0.76 0.00 0.00 0.00 174.94 174.99 2jiy s LEU 66 N 2.03 4.40 0.87 2.97 1.43 0.15 -5.00 118.68 125.53 2jiy s LEU 66 Ca 0.13 1.27 -0.12 0.00 -1.03 0.00 0.00 54.13 54.37 2jiy s LEU 66 Cb -0.16 -3.28 0.12 0.00 0.03 0.00 0.00 46.19 42.89 2jiy s LEU 66 CO 0.11 0.13 1.10 -2.16 0.23 0.00 0.00 176.35 175.76 2jiy s PRO 67 N -1.71 1.45 -1.39 1.29 0.04 -1.26 -4.10 135.00 129.32 2jiy s PRO 67 Ca 0.37 0.68 -0.09 0.00 0.04 0.00 0.00 61.00 62.01 2jiy s PRO 67 Cb -0.17 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.54 2jiy s PRO 67 CO 0.20 -2.07 1.13 0.72 0.04 0.00 0.00 177.00 177.01 2jiy n HIS 68 N -3.75 -2.78 -1.46 0.56 8.25 -1.26 -2.38 115.22 112.40 2jiy n HIS 68 Ca 0.07 0.97 -0.16 0.00 -0.26 0.00 0.00 57.72 58.34 2jiy n HIS 68 Cb 0.56 -4.92 -0.07 0.00 1.12 0.00 0.00 29.99 26.69 2jiy n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jiy n GLY 69 N -1.95 1.59 0.00 -1.41 0.00 -1.26 -4.87 105.19 97.29 2jiy n GLY 69 Ca 0.00 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.97 2jiy n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jiy n ARG 70 N -2.29 0.40 0.00 1.61 5.12 -1.00 -5.00 116.66 115.49 2jiy n ARG 70 Ca -0.16 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 2jiy n ARG 70 Cb 0.56 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.36 2jiy n ARG 70 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2jiy n GLY 71 N 0.87 0.79 3.19 -0.13 0.00 -1.26 -4.91 105.19 103.75 2jiy n GLY 71 Ca 0.13 -1.58 -0.11 0.00 0.00 0.00 0.00 46.02 44.46 2jiy n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jiy s THR 72 N 0.00 0.36 -0.11 2.61 -4.23 -1.26 -0.68 115.64 112.33 2jiy s THR 72 Ca 0.00 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 58.58 2jiy s THR 72 Cb 0.00 -2.08 0.02 0.00 1.34 0.00 0.00 72.50 71.78 2jiy s THR 72 CO 0.00 -0.47 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.28 2jiy s LEU 73 N -3.10 1.47 -0.21 4.79 2.96 -0.45 -4.94 118.68 119.20 2jiy s LEU 73 Ca 0.24 -0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 53.75 2jiy s LEU 73 Cb 0.07 -0.95 -0.02 0.00 0.50 0.00 0.00 46.19 45.79 2jiy s LEU 73 CO 0.03 -0.05 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.09 2jiy s THR 74 N 1.33 3.62 0.01 3.68 2.01 -1.26 -0.56 115.64 124.47 2jiy s THR 74 Ca -0.01 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 61.59 2jiy s THR 74 Cb -0.14 -2.64 -0.01 0.00 0.01 0.00 0.00 72.50 69.73 2jiy s THR 74 CO -0.05 0.43 -0.06 0.68 -0.69 0.00 0.00 174.62 174.93 2jiy s VAL 75 N 1.20 0.45 0.70 3.82 -7.23 -0.70 -3.80 120.40 114.85 2jiy s VAL 75 Ca 0.03 -0.41 -0.14 0.00 -1.81 0.00 0.00 61.98 59.65 2jiy s VAL 75 Cb -0.14 -0.42 0.02 0.00 0.56 0.00 0.00 36.38 36.40 2jiy s VAL 75 CO -0.00 0.01 1.12 -2.16 -0.31 0.00 0.00 175.10 173.76 2jiy s PRO 76 N -0.44 2.52 0.34 4.82 0.04 -1.26 -1.24 135.00 139.78 2jiy s PRO 76 Ca -0.00 1.39 -0.12 0.00 0.04 0.00 0.00 61.00 62.30 2jiy s PRO 76 Cb -0.04 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.61 2jiy s PRO 76 CO -0.00 -1.47 0.64 0.20 0.04 0.00 0.00 177.00 176.41 2jiy s GLY 77 N -2.70 0.65 -0.21 0.56 0.00 -1.25 -4.76 107.32 99.62 2jiy s GLY 77 Ca 0.66 -0.93 -0.36 0.00 0.00 0.00 0.00 44.72 44.10 2jiy s GLY 77 CO 0.46 -0.53 1.92 -1.05 0.00 0.00 0.00 173.10 173.90 2jiy n PRO 78 N -0.50 1.63 -3.72 2.90 -0.02 -1.26 -4.95 135.00 129.08 2jiy n PRO 78 Ca -0.04 0.57 -0.36 0.00 -2.02 0.00 0.00 63.50 61.65 2jiy n PRO 78 Cb 0.61 -2.46 -0.07 0.00 -0.02 0.00 0.00 33.50 31.55 2jiy n PRO 78 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2jiy s GLU 79 N 4.47 3.97 -0.05 -0.52 8.01 -1.26 -5.09 118.70 128.23 2jiy s GLU 79 Ca 0.98 -0.09 -0.07 0.00 0.01 0.00 0.00 54.97 55.80 2jiy s GLU 79 Cb -0.83 -3.34 0.01 0.00 -4.31 0.00 0.00 34.13 25.66 2jiy s GLU 79 CO 0.55 0.45 0.19 -1.54 0.01 0.00 0.00 175.26 174.91 2jiy s SER 80 N -0.10 -0.15 0.43 -0.19 1.04 -1.26 -5.05 113.70 108.42 2jiy s SER 80 Ca 0.13 0.23 0.16 0.00 0.48 0.00 0.00 55.95 56.94 2jiy s SER 80 Cb -0.12 0.35 0.96 0.00 0.10 0.00 0.00 66.02 67.31 2jiy s SER 80 CO 0.02 -0.16 1.94 -0.33 0.98 0.00 0.00 173.24 175.69 2jiy h GLU 81 N 5.36 0.00 -3.98 4.02 4.39 -2.02 -3.47 114.58 118.89 2jiy h GLU 81 Ca -0.27 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 59.04 2jiy h GLU 81 Cb 1.19 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.86 2jiy h GLU 81 CO 0.39 0.24 -0.55 -0.25 -1.16 0.00 0.00 179.01 177.69 2jiy n ASP 82 N -4.12 -5.63 -3.56 1.42 8.00 -1.26 -4.52 116.55 106.89 2jiy n ASP 82 Ca -0.02 -0.15 -0.11 0.00 0.71 0.00 0.00 54.79 55.22 2jiy n ASP 82 Cb 0.31 -4.63 -0.05 0.00 -0.02 0.00 0.00 41.12 36.73 2jiy n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jiy s ARG 83 N -5.43 0.70 0.34 -1.24 1.70 -1.26 -4.91 118.95 108.84 2jiy s ARG 83 Ca 0.17 0.08 -0.27 0.00 -0.47 0.00 0.00 55.73 55.24 2jiy s ARG 83 Cb -0.08 0.33 -0.09 0.00 -0.57 0.00 0.00 34.95 34.53 2jiy s ARG 83 CO 0.22 -0.23 1.15 -1.25 -1.08 0.00 0.00 175.30 174.10 2jiy s PRO 84 N -1.47 4.35 -0.31 3.89 0.04 -1.26 -5.03 135.00 135.21 2jiy s PRO 84 Ca -0.02 1.84 0.03 0.00 0.04 0.00 0.00 61.00 62.89 2jiy s PRO 84 Cb -0.00 -2.92 0.08 0.00 0.04 0.00 0.00 34.50 31.69 2jiy s PRO 84 CO 0.01 -0.06 -0.01 0.42 0.04 0.00 0.00 177.00 177.40 2jiy s ILE 85 N -1.30 2.28 -1.41 0.56 1.01 -1.26 -5.04 121.20 116.04 2jiy s ILE 85 Ca 0.51 -2.04 -0.13 0.00 0.00 0.00 0.00 60.65 58.98 2jiy s ILE 85 Cb -0.31 -2.55 0.07 0.00 0.01 0.00 0.00 42.46 39.68 2jiy s ILE 85 CO 0.40 -0.37 2.12 0.00 0.00 0.00 0.00 174.94 177.09 2jiy n ALA 86 N 4.34 5.38 -2.93 9.38 0.00 -1.26 -4.88 120.51 130.53 2jiy n ALA 86 Ca -0.04 -3.98 -0.11 0.00 0.00 0.00 0.00 53.44 49.32 2jiy n ALA 86 Cb 0.42 -3.42 -0.11 0.00 0.00 0.00 0.00 19.45 16.34 2jiy n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jiy s LEU 87 N 1.80 2.24 0.03 0.00 1.43 -1.26 -1.87 118.68 121.05 2jiy s LEU 87 Ca 0.46 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 2jiy s LEU 87 Cb 0.12 -0.00 -0.02 0.00 0.03 0.00 0.00 46.19 46.32 2jiy s LEU 87 CO -0.06 -0.26 -0.05 0.00 0.23 0.00 0.00 176.35 176.21 2jiy s ALA 88 N -1.42 0.34 0.39 4.21 0.00 -0.27 -4.87 121.76 120.15 2jiy s ALA 88 Ca -0.14 -0.58 -0.26 0.00 0.00 0.00 0.00 51.96 50.99 2jiy s ALA 88 Cb -0.10 0.06 -0.11 0.00 0.00 0.00 0.00 23.12 22.97 2jiy s ALA 88 CO -0.00 -0.06 1.11 0.54 0.00 0.00 0.00 175.76 177.35 2jiy n ARG 89 N 1.81 1.60 0.00 0.00 1.74 -1.26 -0.71 116.66 119.84 2jiy n ARG 89 Ca -0.21 0.57 0.07 0.00 -0.77 0.00 0.00 57.85 57.51 2jiy n ARG 89 Cb 0.56 -2.14 0.02 0.00 -1.02 0.00 0.00 32.46 29.87 2jiy n ARG 89 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2jiy n THR 90 N -0.21 0.00 -4.32 0.55 -2.24 -1.19 -4.76 114.28 102.12 2jiy n THR 90 Ca 0.08 -0.40 -0.17 0.00 -2.27 0.00 0.00 64.05 61.29 2jiy n THR 90 Cb 0.38 1.21 -0.10 0.00 -2.10 0.00 0.00 70.33 69.72 2jiy n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jiy s ALA 91 N -1.58 1.80 -2.66 6.98 0.00 -1.26 -5.05 121.76 119.99 2jiy s ALA 91 Ca 0.14 -1.79 0.25 0.00 0.00 0.00 0.00 51.96 50.55 2jiy s ALA 91 Cb 0.12 1.13 0.43 0.00 0.00 0.00 0.00 23.12 24.79 2jiy s ALA 91 CO 0.30 -0.49 1.39 1.33 0.00 0.00 0.00 175.76 178.29 2jiy n VAL 92 N -0.51 0.00 -4.35 0.00 0.24 -1.26 -4.95 118.33 107.50 2jiy n VAL 92 Ca 0.01 -0.38 -0.18 0.00 -2.04 0.00 0.00 64.34 61.75 2jiy n VAL 92 Cb 0.66 1.13 -0.10 0.00 -1.47 0.00 0.00 33.84 34.05 2jiy n VAL 92 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2jiy s SER 93 N -2.09 1.64 0.45 -1.34 1.04 -1.26 -5.14 113.70 106.99 2jiy s SER 93 Ca 0.29 -1.33 -0.23 0.00 0.48 0.00 0.00 55.95 55.16 2jiy s SER 93 Cb 0.20 0.06 -0.08 0.00 0.10 0.00 0.00 66.02 66.30 2jiy s SER 93 CO 0.36 -0.64 1.16 -0.70 0.98 0.00 0.00 173.24 174.41 2jiy s GLU 94 N -3.95 3.82 0.00 4.02 2.56 -1.26 -4.28 118.70 119.60 2jiy s GLU 94 Ca 0.34 1.78 0.00 0.00 0.00 0.00 0.00 54.97 57.09 2jiy s GLU 94 Cb 0.07 -2.45 0.00 0.00 2.00 0.00 0.00 34.13 33.75 2jiy s GLU 94 CO 0.12 -0.51 0.00 0.41 -0.56 0.00 0.00 175.26 174.73 2jiy n GLY 95 N 0.47 0.90 3.86 -1.50 0.00 -1.26 -5.10 105.19 102.56 2jiy n GLY 95 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 2jiy n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jiy s PHE 96 N -2.00 2.89 0.96 1.61 0.40 -1.26 -5.11 117.98 115.48 2jiy s PHE 96 Ca 0.00 -0.32 -0.11 0.00 -0.60 0.00 0.00 56.93 55.90 2jiy s PHE 96 Cb 0.00 -1.84 0.17 0.00 0.51 0.00 0.00 43.02 41.86 2jiy s PHE 96 CO 0.00 0.15 1.10 -2.14 0.70 0.00 0.00 175.22 175.02 2jiy s PRO 97 N -4.02 0.66 -0.16 0.24 0.02 -1.26 -4.89 135.00 125.60 2jiy s PRO 97 Ca 0.42 1.16 0.02 0.00 0.02 0.00 0.00 61.00 62.61 2jiy s PRO 97 Cb -0.06 -1.71 0.02 0.00 0.02 0.00 0.00 34.50 32.76 2jiy s PRO 97 CO 0.27 -2.75 -0.20 -1.01 -0.33 0.00 0.00 177.00 172.98 2jiy s HIS 98 N -2.69 2.65 0.10 6.54 3.76 -1.26 -3.15 115.29 121.25 2jiy s HIS 98 Ca 0.66 -1.47 -0.27 0.00 -0.15 0.00 0.00 55.06 53.83 2jiy s HIS 98 Cb -0.22 -1.83 -0.06 0.00 1.11 0.00 0.00 32.58 31.58 2jiy s HIS 98 CO 0.59 -0.71 0.83 0.00 -0.85 0.00 0.00 174.74 174.60 2jiy s ALA 99 N 1.11 3.35 0.20 -1.40 0.00 0.11 -4.68 121.76 120.46 2jiy s ALA 99 Ca -0.00 0.40 -0.32 0.00 0.00 0.00 0.00 51.96 52.04 2jiy s ALA 99 Cb -0.14 -3.07 -0.14 0.00 0.00 0.00 0.00 23.12 19.76 2jiy s ALA 99 CO -0.08 0.10 1.35 -2.30 0.00 0.00 0.00 175.76 174.84 2jiy n PRO 100 N 2.43 1.74 0.02 0.00 -0.02 -1.26 -1.11 135.00 136.80 2jiy n PRO 100 Ca -0.02 0.62 0.12 0.00 -2.02 0.00 0.00 63.50 62.20 2jiy n PRO 100 Cb 0.49 -2.25 0.21 0.00 -0.02 0.00 0.00 33.50 31.93 2jiy n PRO 100 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2jiy n THR 101 N 2.01 0.14 0.00 3.45 -2.24 -0.78 -4.86 114.28 112.00 2jiy n THR 101 Ca 0.14 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2jiy n THR 101 Cb 0.28 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 2jiy n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jiy n GLY 102 N 1.43 5.53 3.57 3.38 0.00 -1.26 -5.07 105.19 112.78 2jiy n GLY 102 Ca 0.04 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 2jiy n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jiy s ASP 103 N 1.00 6.53 0.51 1.61 -1.08 -1.26 -4.94 116.67 119.03 2jiy s ASP 103 Ca 0.00 0.24 0.25 0.00 -0.52 0.00 0.00 52.55 52.52 2jiy s ASP 103 Cb 0.00 -2.41 1.37 0.00 -1.46 0.00 0.00 42.92 40.42 2jiy s ASP 103 CO 0.00 -0.85 2.06 1.55 0.52 0.00 0.00 175.17 178.44 2jiy h PRO 104 N 8.71 0.00 -0.23 4.34 0.13 -1.94 0.13 132.00 143.13 2jiy h PRO 104 Ca -0.24 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.68 2jiy h PRO 104 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2jiy h PRO 104 CO 0.95 0.13 -0.65 0.52 -0.23 0.00 0.00 178.00 178.73 2jiy h MET 105 N 0.00 0.84 -0.20 0.86 2.86 -1.92 -0.03 114.93 117.33 2jiy h MET 105 Ca -0.00 -0.59 -0.17 0.00 -2.06 0.00 0.00 59.70 56.87 2jiy h MET 105 Cb 0.34 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 2jiy h MET 105 CO 0.02 1.21 -0.59 0.87 1.06 0.00 0.00 176.91 179.49 2jiy h LYS 106 N 0.61 0.64 0.00 1.72 1.57 -1.84 -3.25 116.57 116.03 2jiy h LYS 106 Ca -0.01 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2jiy h LYS 106 Cb 1.26 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2jiy h LYS 106 CO 0.14 1.04 -0.19 -0.25 -0.57 0.00 0.00 179.45 179.62 2jiy n ASP 107 N -3.96 0.42 -2.90 0.86 8.00 0.41 -4.97 116.55 114.41 2jiy n ASP 107 Ca -0.04 0.33 -0.13 0.00 0.71 0.00 0.00 54.79 55.66 2jiy n ASP 107 Cb 0.63 -0.35 0.06 0.00 -0.02 0.00 0.00 41.12 41.45 2jiy n ASP 107 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jiy n GLY 108 N 1.42 -0.50 3.43 0.44 0.00 -0.06 -4.76 105.19 105.17 2jiy n GLY 108 Ca 0.06 0.22 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 2jiy n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jiy s VAL 109 N -3.30 0.93 0.00 1.61 -7.23 -0.97 -3.96 120.40 107.48 2jiy s VAL 109 Ca 0.20 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 2jiy s VAL 109 Cb -0.03 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 34.24 2jiy s VAL 109 CO 0.58 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.98 2jiy n GLY 110 N -0.67 1.74 0.00 2.32 0.00 -1.26 -1.47 105.19 105.85 2jiy n GLY 110 Ca -0.02 -0.56 0.06 0.00 0.00 0.00 0.00 46.02 45.50 2jiy n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jiy n PRO 111 N 7.00 0.30 -0.32 1.61 -0.04 -1.26 -1.59 135.00 140.69 2jiy n PRO 111 Ca 0.00 0.08 0.07 0.00 -0.04 0.00 0.00 63.50 63.61 2jiy n PRO 111 Cb 0.00 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.18 2jiy n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jiy n ALA 112 N -1.13 2.66 -1.73 0.55 0.00 -0.54 -2.62 120.51 117.70 2jiy n ALA 112 Ca 0.08 -0.92 -0.35 0.00 0.00 0.00 0.00 53.44 52.25 2jiy n ALA 112 Cb 0.07 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.54 2jiy n ALA 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2jiy s SER 113 N -0.87 5.59 0.14 0.00 0.01 -0.62 -3.89 113.70 114.06 2jiy s SER 113 Ca 0.32 2.16 0.04 0.00 1.31 0.00 0.00 55.95 59.78 2jiy s SER 113 Cb 0.19 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 2jiy s SER 113 CO 0.19 -1.30 -0.10 -1.66 0.41 0.00 0.00 173.24 170.77 2jiy s TRP 114 N -1.86 1.25 0.00 2.43 1.48 -1.25 -4.31 118.94 116.68 2jiy s TRP 114 Ca 0.72 -0.75 0.01 0.00 -1.06 0.00 0.00 56.10 55.02 2jiy s TRP 114 Cb -0.24 -0.64 -0.04 0.00 -1.16 0.00 0.00 33.47 31.40 2jiy s TRP 114 CO 0.30 0.07 0.02 0.08 -4.06 0.00 0.00 176.95 173.36 2jiy s VAL 115 N -3.26 4.27 -1.16 -0.66 1.01 -1.26 -5.01 120.40 114.32 2jiy s VAL 115 Ca 0.16 -0.58 -0.16 0.00 0.00 0.00 0.00 61.98 61.39 2jiy s VAL 115 Cb 0.02 -2.92 -0.06 0.00 0.00 0.00 0.00 36.38 33.42 2jiy s VAL 115 CO 0.00 0.36 2.17 0.00 0.00 0.00 0.00 175.10 177.63 2jiy n ALA 116 N 1.30 4.79 -1.33 5.51 0.00 -1.26 -4.83 120.51 124.68 2jiy n ALA 116 Ca -0.14 -3.45 -0.29 0.00 0.00 0.00 0.00 53.44 49.56 2jiy n ALA 116 Cb 0.53 -3.51 0.14 0.00 0.00 0.00 0.00 19.45 16.61 2jiy n ALA 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jiy s ARG 117 N 3.83 1.04 0.21 0.00 0.52 -1.26 -4.96 118.95 118.33 2jiy s ARG 117 Ca 0.52 0.53 -0.32 0.00 -0.52 0.00 0.00 55.73 55.95 2jiy s ARG 117 Cb 0.14 -1.81 -0.14 0.00 0.52 0.00 0.00 34.95 33.66 2jiy s ARG 117 CO -0.00 -2.32 1.36 -2.13 0.02 0.00 0.00 175.30 172.23 2jiy n ARG 118 N -3.89 1.82 -1.62 3.54 3.00 -1.26 -4.18 116.66 114.08 2jiy n ARG 118 Ca 0.06 0.65 -0.30 0.00 -0.00 0.00 0.00 57.85 58.26 2jiy n ARG 118 Cb 0.57 -2.28 -0.05 0.00 0.00 0.00 0.00 32.46 30.71 2jiy n ARG 118 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2jiy n ASP 119 N 2.23 6.95 -4.05 6.15 2.03 -1.26 -1.85 116.55 126.75 2jiy n ASP 119 Ca 0.13 -3.13 -0.09 0.00 0.52 0.00 0.00 54.79 52.22 2jiy n ASP 119 Cb 0.29 -1.29 -0.11 0.00 -0.72 0.00 0.00 41.12 39.29 2jiy n ASP 119 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2jiy s LEU 120 N -1.97 2.36 0.58 -2.67 1.43 -1.26 -4.92 118.68 112.22 2jiy s LEU 120 Ca 0.58 -0.73 -0.17 0.00 -1.03 0.00 0.00 54.13 52.78 2jiy s LEU 120 Cb 0.31 0.08 -0.04 0.00 0.03 0.00 0.00 46.19 46.56 2jiy s LEU 120 CO -0.17 -0.40 1.09 -2.84 0.23 0.00 0.00 176.35 174.26 2jiy s PRO 121 N -2.56 3.29 0.32 1.29 0.02 -1.26 -1.81 135.00 134.29 2jiy s PRO 121 Ca -0.04 1.39 -0.29 0.00 0.02 0.00 0.00 61.00 62.07 2jiy s PRO 121 Cb -0.02 -2.02 -0.11 0.00 0.02 0.00 0.00 34.50 32.37 2jiy s PRO 121 CO -0.04 -0.86 1.50 -2.00 -0.33 0.00 0.00 177.00 175.27 2jiy s GLU 122 N -3.71 4.17 0.09 5.54 2.12 -1.26 -4.87 118.70 120.78 2jiy s GLU 122 Ca 0.68 2.48 0.03 0.00 0.36 0.00 0.00 54.97 58.52 2jiy s GLU 122 Cb -0.19 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 2jiy s GLU 122 CO 0.32 -0.51 0.07 -0.51 -0.54 0.00 0.00 175.26 174.10 2jiy s LEU 123 N -1.14 3.76 0.00 2.70 1.43 -1.26 -0.91 118.68 123.26 2jiy s LEU 123 Ca 0.57 -0.04 -0.06 0.00 -1.03 0.00 0.00 54.13 53.57 2jiy s LEU 123 Cb -0.45 -2.44 0.10 0.00 0.03 0.00 0.00 46.19 43.43 2jiy s LEU 123 CO 0.53 0.16 0.63 -0.90 0.23 0.00 0.00 176.35 177.00 2jiy n ASP 124 N 0.39 0.21 0.26 2.29 5.68 0.10 -4.72 116.55 120.77 2jiy n ASP 124 Ca -0.09 -1.32 0.15 0.00 -0.50 0.00 0.00 54.79 53.02 2jiy n ASP 124 Cb 0.52 -0.47 0.68 0.00 -1.14 0.00 0.00 41.12 40.71 2jiy n ASP 124 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2jiy h GLY 125 N -0.74 0.00 -1.85 6.12 0.00 -2.01 -0.55 103.07 104.05 2jiy h GLY 125 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2jiy h GLY 125 CO 0.16 0.00 0.00 1.42 0.00 0.00 0.00 176.54 178.12 2jiy n HIS 126 N -3.29 0.59 -1.02 5.60 8.25 -1.26 -4.94 115.22 119.15 2jiy n HIS 126 Ca -0.00 -0.30 -0.01 0.00 -0.26 0.00 0.00 57.72 57.15 2jiy n HIS 126 Cb 0.30 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.41 2jiy n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jiy n GLY 127 N 1.35 0.48 3.92 -1.41 0.00 -0.21 -5.04 105.19 104.27 2jiy n GLY 127 Ca 0.18 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 2jiy n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jiy s HIS 128 N -1.97 3.48 0.12 1.61 3.76 -1.26 -4.78 115.29 116.26 2jiy s HIS 128 Ca 0.00 0.42 -0.33 0.00 -0.15 0.00 0.00 55.06 54.99 2jiy s HIS 128 Cb 0.00 -1.92 -0.13 0.00 1.11 0.00 0.00 32.58 31.64 2jiy s HIS 128 CO 0.00 0.28 1.67 0.09 -0.85 0.00 0.00 174.74 175.93 2jiy n ASN 129 N -0.95 3.33 -0.21 1.40 3.02 -1.26 0.02 115.26 120.60 2jiy n ASN 129 Ca -0.04 1.05 -0.09 0.00 -0.03 0.00 0.00 54.58 55.47 2jiy n ASN 129 Cb 0.54 -1.44 0.03 0.00 -0.61 0.00 0.00 39.78 38.30 2jiy n ASN 129 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2jiy h LYS 130 N 6.80 1.08 -5.24 3.52 3.64 -1.31 -3.43 116.57 121.63 2jiy h LYS 130 Ca -0.45 -0.34 -0.65 0.00 -1.27 0.00 0.00 60.65 57.93 2jiy h LYS 130 Cb 1.25 -0.10 -0.25 0.00 -0.41 0.00 0.00 32.23 32.72 2jiy h LYS 130 CO 0.91 1.05 -0.71 0.42 -2.27 0.00 0.00 179.45 178.85 2jiy s ILE 131 N -5.03 3.48 0.06 2.00 1.01 -1.26 -0.99 121.20 120.47 2jiy s ILE 131 Ca -0.12 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.06 2jiy s ILE 131 Cb 0.14 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.06 2jiy s ILE 131 CO 0.86 0.49 -0.07 -0.54 0.00 0.00 0.00 174.94 175.68 2jiy s LYS 132 N 0.59 0.61 0.46 2.79 1.02 -0.77 -4.60 119.74 119.85 2jiy s LYS 132 Ca -0.05 -0.93 -0.25 0.00 0.02 0.00 0.00 55.97 54.77 2jiy s LYS 132 Cb -0.15 -0.24 -0.08 0.00 -0.52 0.00 0.00 37.83 36.85 2jiy s LYS 132 CO 0.03 0.02 1.38 -1.25 -0.92 0.00 0.00 175.35 174.61 2jiy s PRO 133 N -2.29 3.61 0.45 -1.68 0.04 -1.26 -1.38 135.00 132.49 2jiy s PRO 133 Ca -0.04 2.31 0.12 0.00 0.04 0.00 0.00 61.00 63.43 2jiy s PRO 133 Cb -0.05 -2.57 1.02 0.00 0.04 0.00 0.00 34.50 32.93 2jiy s PRO 133 CO -0.01 -0.84 2.06 1.98 0.04 0.00 0.00 177.00 180.23 2jiy h MET 134 N 2.18 0.22 0.00 4.56 4.05 -0.95 -1.37 114.93 123.61 2jiy h MET 134 Ca -0.51 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 58.87 2jiy h MET 134 Cb 1.27 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 32.02 2jiy h MET 134 CO 0.60 0.21 -0.09 1.57 0.23 0.00 0.00 176.91 179.43 2jiy h LYS 135 N 0.22 0.00 -0.32 0.39 2.10 -1.89 -1.13 116.57 115.93 2jiy h LYS 135 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 2jiy h LYS 135 Cb 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 2jiy h LYS 135 CO -0.00 0.09 0.00 0.00 -2.00 0.00 0.00 179.45 177.54 2jiy n ALA 136 N -2.37 2.44 -3.46 0.07 0.00 -0.54 -4.83 120.51 111.82 2jiy n ALA 136 Ca -0.02 -0.90 -0.43 0.00 0.00 0.00 0.00 53.44 52.08 2jiy n ALA 136 Cb 0.18 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.66 2jiy n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jiy s ALA 137 N -1.59 3.50 0.14 0.00 0.00 -0.43 -4.96 121.76 118.42 2jiy s ALA 137 Ca 0.37 -2.55 -0.32 0.00 0.00 0.00 0.00 51.96 49.46 2jiy s ALA 137 Cb 0.22 -3.00 -0.11 0.00 0.00 0.00 0.00 23.12 20.22 2jiy s ALA 137 CO 0.31 -1.95 1.79 0.00 0.00 0.00 0.00 175.76 175.90 2jiy n ALA 138 N 5.03 2.20 0.00 0.00 0.00 -1.26 -1.77 120.51 124.70 2jiy n ALA 138 Ca -0.10 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2jiy n ALA 138 Cb 0.40 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.31 2jiy n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jiy n GLY 139 N 4.10 2.91 3.75 0.00 0.00 -1.26 -5.02 105.19 109.66 2jiy n GLY 139 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2jiy n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jiy s PHE 140 N -1.91 3.76 0.18 1.61 0.40 -0.73 -5.04 117.98 116.25 2jiy s PHE 140 Ca 0.00 1.77 -0.18 0.00 -0.60 0.00 0.00 56.93 57.92 2jiy s PHE 140 Cb 0.00 -3.14 0.03 0.00 0.51 0.00 0.00 43.02 40.42 2jiy s PHE 140 CO 0.00 -0.10 0.52 -3.38 0.70 0.00 0.00 175.22 172.97 2jiy s HIS 141 N -0.78 -0.20 0.08 0.36 -3.43 -1.26 -4.94 115.29 105.13 2jiy s HIS 141 Ca 0.45 -0.13 -0.31 0.00 -0.80 0.00 0.00 55.06 54.27 2jiy s HIS 141 Cb -0.28 0.41 -0.08 0.00 -1.43 0.00 0.00 32.58 31.20 2jiy s HIS 141 CO 0.35 -0.88 1.54 0.08 -2.00 0.00 0.00 174.74 173.82 2jiy s VAL 142 N -3.85 3.14 -0.24 -5.38 1.01 -1.26 -4.91 120.40 108.91 2jiy s VAL 142 Ca 0.07 0.68 0.12 0.00 0.00 0.00 0.00 61.98 62.86 2jiy s VAL 142 Cb -0.01 -3.44 -0.17 0.00 0.00 0.00 0.00 36.38 32.77 2jiy s VAL 142 CO -0.05 0.02 0.37 -1.54 0.00 0.00 0.00 175.10 173.90 2jiy n SER 143 N 4.95 1.50 -3.57 3.32 3.41 -1.26 -5.05 113.62 116.91 2jiy n SER 143 Ca 0.14 -0.32 -0.07 0.00 -0.26 0.00 0.00 58.87 58.36 2jiy n SER 143 Cb 0.41 1.34 -0.03 0.00 -0.26 0.00 0.00 64.21 65.66 2jiy n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jiy s ALA 144 N -2.57 -1.97 0.00 7.33 0.00 -1.26 -5.17 121.76 118.11 2jiy s ALA 144 Ca -0.01 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.45 2jiy s ALA 144 Cb 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.84 2jiy s ALA 144 CO 0.51 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.20 2jiy n GLY 145 N 0.22 -0.66 3.71 0.00 0.00 -1.26 -4.87 105.19 102.33 2jiy n GLY 145 Ca -0.05 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 2jiy n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jiy s LYS 146 N -1.37 4.34 -0.31 1.61 2.47 -1.26 -4.97 119.74 120.26 2jiy s LYS 146 Ca 0.00 1.95 -0.29 0.00 -1.56 0.00 0.00 55.97 56.07 2jiy s LYS 146 Cb 0.00 -3.37 0.01 0.00 -1.46 0.00 0.00 37.83 33.01 2jiy s LYS 146 CO 0.00 -0.42 1.16 1.21 0.16 0.00 0.00 175.35 177.46 2jiy s ASN 147 N 1.30 6.84 0.15 1.43 3.84 -1.26 -4.91 114.94 122.34 2jiy s ASN 147 Ca 0.62 1.13 0.25 0.00 0.21 0.00 0.00 52.86 55.07 2jiy s ASN 147 Cb -0.33 -2.54 0.92 0.00 -0.55 0.00 0.00 41.25 38.75 2jiy s ASN 147 CO 0.29 -0.95 1.77 -0.81 -2.79 0.00 0.00 177.10 174.61 2jiy n PRO 148 N 7.02 0.17 -1.91 0.43 -0.04 -1.26 -4.83 135.00 134.59 2jiy n PRO 148 Ca 0.13 0.21 -0.42 0.00 -0.04 0.00 0.00 63.50 63.38 2jiy n PRO 148 Cb 0.47 -1.72 -0.03 0.00 -0.04 0.00 0.00 33.50 32.17 2jiy n PRO 148 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2jiy s ILE 149 N -3.11 3.12 0.00 0.52 1.01 -1.26 -1.19 121.20 120.29 2jiy s ILE 149 Ca 0.10 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.21 2jiy s ILE 149 Cb 0.13 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.30 2jiy s ILE 149 CO 0.51 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.05 2jiy n GLY 150 N 4.09 2.10 3.77 6.18 0.00 0.27 -5.01 105.19 116.59 2jiy n GLY 150 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2jiy n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jiy s LEU 151 N 0.00 4.33 0.59 0.99 1.43 -0.33 -4.70 118.68 120.99 2jiy s LEU 151 Ca 0.00 2.23 -0.18 0.00 -1.03 0.00 0.00 54.13 55.14 2jiy s LEU 151 Cb 0.00 -3.91 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 2jiy s LEU 151 CO 0.00 -0.40 1.15 -2.16 0.23 0.00 0.00 176.35 175.17 2jiy s PRO 152 N -2.01 3.09 -0.17 1.29 0.04 -1.26 -1.42 135.00 134.56 2jiy s PRO 152 Ca 0.52 1.63 -0.03 0.00 0.04 0.00 0.00 61.00 63.16 2jiy s PRO 152 Cb -0.29 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 2jiy s PRO 152 CO 0.36 -1.07 -0.07 0.08 0.04 0.00 0.00 177.00 176.35 2jiy s VAL 153 N -1.85 3.40 -0.10 -0.36 1.01 0.72 -0.59 120.40 122.62 2jiy s VAL 153 Ca 0.73 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 62.21 2jiy s VAL 153 Cb -0.25 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 2jiy s VAL 153 CO 0.32 0.47 -0.16 -0.60 0.00 0.00 0.00 175.10 175.14 2jiy s ARG 154 N 0.82 3.01 0.75 2.72 3.52 0.24 -0.03 118.95 129.99 2jiy s ARG 154 Ca -0.02 -0.73 -0.03 0.00 -0.13 0.00 0.00 55.73 54.82 2jiy s ARG 154 Cb -0.15 -2.48 0.15 0.00 -1.56 0.00 0.00 34.95 30.92 2jiy s ARG 154 CO 0.01 0.35 1.03 0.41 -0.81 0.00 0.00 175.30 176.29 2jiy n GLY 155 N 3.11 0.29 0.14 8.12 0.00 -0.48 -0.41 105.19 115.96 2jiy n GLY 155 Ca -0.18 -1.98 0.13 0.00 0.00 0.00 0.00 46.02 43.99 2jiy n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jiy n ASP 157 N -2.33 0.00 -1.91 0.00 5.75 -1.24 -2.39 116.55 114.42 2jiy n ASP 157 Ca 0.03 -1.56 -0.20 0.00 -0.01 0.00 0.00 54.79 53.04 2jiy n ASP 157 Cb 0.29 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.33 2jiy n ASP 157 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2jiy n LEU 158 N -0.69 -1.69 -4.73 -2.12 4.77 -0.24 -4.89 117.00 107.41 2jiy n LEU 158 Ca 0.09 0.24 -0.27 0.00 -0.03 0.00 0.00 56.01 56.03 2jiy n LEU 158 Cb 0.04 -2.81 -0.07 0.00 -2.33 0.00 0.00 43.42 38.25 2jiy n LEU 158 CO 0.06 -0.63 -0.28 -1.61 -1.33 0.00 0.00 177.39 173.60 2jiy s GLU 159 N -4.35 2.65 -0.18 3.23 0.41 -1.26 -4.91 118.70 114.29 2jiy s GLU 159 Ca 0.00 -0.96 -0.29 0.00 -0.41 0.00 0.00 54.97 53.31 2jiy s GLU 159 Cb 0.00 -2.51 -0.00 0.00 -1.78 0.00 0.00 34.13 29.83 2jiy s GLU 159 CO 0.00 0.48 1.07 0.42 -0.49 0.00 0.00 175.26 176.74 2jiy s ILE 160 N -1.67 4.63 -0.20 -1.63 -1.09 -1.26 -1.39 121.20 118.59 2jiy s ILE 160 Ca 0.29 1.95 0.22 0.00 -2.23 0.00 0.00 60.65 60.88 2jiy s ILE 160 Cb -0.10 -4.26 -0.05 0.00 -1.58 0.00 0.00 42.46 36.47 2jiy s ILE 160 CO 0.21 -0.12 0.95 0.00 -1.23 0.00 0.00 174.94 174.75 2jiy n ALA 161 N 5.99 2.53 0.00 9.38 0.00 0.96 -4.95 120.51 134.41 2jiy n ALA 161 Ca 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2jiy n ALA 161 Cb 0.47 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.86 2jiy n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jiy n GLY 162 N 1.20 -0.56 3.03 0.00 0.00 -1.19 -4.34 105.19 103.33 2jiy n GLY 162 Ca -0.01 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 2jiy n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jiy s LYS 163 N -1.38 0.32 -0.03 1.61 -2.85 -0.79 -0.20 119.74 116.41 2jiy s LYS 163 Ca 0.00 -0.29 -0.30 0.00 -1.00 0.00 0.00 55.97 54.38 2jiy s LYS 163 Cb 0.00 0.13 -0.04 0.00 -2.06 0.00 0.00 37.83 35.86 2jiy s LYS 163 CO 0.00 -0.06 1.17 0.08 0.10 0.00 0.00 175.35 176.64 2jiy s VAL 164 N -0.95 4.29 -0.22 1.79 1.01 -0.51 -0.60 120.40 125.21 2jiy s VAL 164 Ca -0.10 1.62 0.05 0.00 0.00 0.00 0.00 61.98 63.54 2jiy s VAL 164 Cb -0.06 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 2jiy s VAL 164 CO 0.00 0.03 0.20 1.33 0.00 0.00 0.00 175.10 176.67 2jiy n VAL 165 N 4.44 0.00 -3.66 2.92 0.24 0.23 -0.56 118.33 121.94 2jiy n VAL 165 Ca 0.10 -0.40 -0.03 0.00 -2.04 0.00 0.00 64.34 61.98 2jiy n VAL 165 Cb 0.47 1.00 -0.01 0.00 -1.47 0.00 0.00 33.84 33.83 2jiy n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2jiy s ASP 166 N -1.41 -0.16 -0.18 -1.34 -1.08 -1.21 -4.94 116.67 106.35 2jiy s ASP 166 Ca 0.02 -0.21 -0.09 0.00 -0.52 0.00 0.00 52.55 51.75 2jiy s ASP 166 Cb 0.03 0.33 -0.05 0.00 -1.46 0.00 0.00 42.92 41.78 2jiy s ASP 166 CO 0.18 -0.59 0.11 -0.63 0.52 0.00 0.00 175.17 174.76 2jiy s ILE 167 N -2.89 5.21 -0.13 4.11 1.01 -1.26 -1.22 121.20 126.04 2jiy s ILE 167 Ca 0.11 0.11 -0.29 0.00 0.00 0.00 0.00 60.65 60.59 2jiy s ILE 167 Cb 0.01 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 2jiy s ILE 167 CO -0.02 0.47 1.38 0.26 0.00 0.00 0.00 174.94 177.02 2jiy s TRP 168 N 0.19 2.61 -0.07 3.97 0.52 -0.29 -0.21 118.94 125.66 2jiy s TRP 168 Ca 0.07 0.77 0.02 0.00 0.02 0.00 0.00 56.10 56.98 2jiy s TRP 168 Cb -0.11 -3.62 -0.03 0.00 -1.15 0.00 0.00 33.47 28.55 2jiy s TRP 168 CO -0.01 -2.33 -0.10 0.14 0.02 0.00 0.00 176.95 174.67 2jiy s VAL 169 N 3.58 3.39 -0.42 4.03 -7.23 -0.48 0.52 120.40 123.80 2jiy s VAL 169 Ca 0.60 -0.59 -0.29 0.00 -1.81 0.00 0.00 61.98 59.89 2jiy s VAL 169 Cb -0.25 -2.37 0.02 0.00 0.56 0.00 0.00 36.38 34.33 2jiy s VAL 169 CO 0.19 0.58 1.25 -0.62 -0.31 0.00 0.00 175.10 176.19 2jiy s ASP 170 N -0.59 6.56 0.00 4.85 -1.08 0.93 -1.84 116.67 125.50 2jiy s ASP 170 Ca 0.09 0.74 -0.24 0.00 -0.52 0.00 0.00 52.55 52.61 2jiy s ASP 170 Cb -0.12 -2.54 -0.15 0.00 -1.46 0.00 0.00 42.92 38.65 2jiy s ASP 170 CO 0.02 -1.26 1.11 0.40 0.52 0.00 0.00 175.17 175.95 2jiy h ILE 171 N 6.23 0.45 -0.88 4.11 2.04 -1.38 0.18 117.51 128.26 2jiy h ILE 171 Ca -0.25 -0.56 0.10 0.00 1.00 0.00 0.00 64.86 65.15 2jiy h ILE 171 Cb 1.08 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 37.76 2jiy h ILE 171 CO 1.09 0.08 0.57 1.55 0.00 0.00 0.00 178.15 181.44 2jiy h PRO 172 N -0.94 0.84 -0.01 2.37 0.13 -1.94 -2.66 132.00 129.80 2jiy h PRO 172 Ca -0.06 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2jiy h PRO 172 Cb 0.56 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.50 2jiy h PRO 172 CO 0.09 0.56 -0.34 -1.91 -0.23 0.00 0.00 178.00 176.17 2jiy n GLU 173 N -4.53 0.97 -3.55 0.86 2.13 -1.23 -5.00 120.64 110.30 2jiy n GLU 173 Ca 0.15 -0.68 -0.24 0.00 0.66 0.00 0.00 57.16 57.06 2jiy n GLU 173 Cb 0.31 -1.49 0.03 0.00 0.27 0.00 0.00 31.44 30.57 2jiy n GLU 173 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2jiy n GLN 174 N -0.42 -1.38 -3.87 5.31 6.02 0.58 -5.02 117.38 118.59 2jiy n GLN 174 Ca 0.11 0.71 -0.11 0.00 -0.01 0.00 0.00 57.00 57.70 2jiy n GLN 174 Cb 0.39 -4.34 -0.10 0.00 1.02 0.00 0.00 30.24 27.21 2jiy n GLN 174 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jiy s MET 175 N -5.19 0.44 0.00 -1.09 0.23 -0.97 -4.97 119.30 107.76 2jiy s MET 175 Ca 0.34 -0.36 -0.30 0.00 -1.03 0.00 0.00 55.69 54.34 2jiy s MET 175 Cb -0.11 0.18 -0.05 0.00 -1.53 0.00 0.00 34.83 33.32 2jiy s MET 175 CO 0.83 -0.10 1.34 0.00 -2.03 0.00 0.00 175.02 175.06 2jiy s ALA 176 N -1.26 3.55 -0.08 3.16 0.00 -1.26 -0.05 121.76 125.82 2jiy s ALA 176 Ca -0.13 0.84 0.04 0.00 0.00 0.00 0.00 51.96 52.70 2jiy s ALA 176 Cb -0.07 -3.56 -0.07 0.00 0.00 0.00 0.00 23.12 19.42 2jiy s ALA 176 CO 0.01 -0.82 -0.02 0.54 0.00 0.00 0.00 175.76 175.47 2jiy n ARG 177 N 5.11 1.70 -4.03 0.00 1.74 0.19 -4.82 116.66 116.54 2jiy n ARG 177 Ca 0.12 0.02 -0.09 0.00 -0.77 0.00 0.00 57.85 57.13 2jiy n ARG 177 Cb 0.44 -1.17 -0.11 0.00 -1.02 0.00 0.00 32.46 30.60 2jiy n ARG 177 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2jiy s PHE 178 N -2.17 0.43 -0.10 -1.55 0.40 -0.90 -0.87 117.98 113.22 2jiy s PHE 178 Ca -0.07 -0.68 -0.10 0.00 -0.60 0.00 0.00 56.93 55.48 2jiy s PHE 178 Cb 0.02 -0.29 -0.05 0.00 0.51 0.00 0.00 43.02 43.22 2jiy s PHE 178 CO 0.24 -0.22 0.22 -0.51 0.70 0.00 0.00 175.22 175.66 2jiy s LEU 179 N -1.93 4.38 -0.24 -0.37 1.43 -0.07 -1.14 118.68 120.73 2jiy s LEU 179 Ca -0.08 0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 53.45 2jiy s LEU 179 Cb -0.05 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 2jiy s LEU 179 CO -0.03 0.33 0.37 -0.70 0.23 0.00 0.00 176.35 176.55 2jiy s GLU 180 N -0.76 4.09 -0.14 1.70 2.12 -0.35 -0.87 118.70 124.48 2jiy s GLU 180 Ca 0.17 0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.59 2jiy s GLU 180 Cb -0.13 -3.60 -0.01 0.00 0.26 0.00 0.00 34.13 30.65 2jiy s GLU 180 CO 0.06 -0.15 -0.14 0.08 -0.54 0.00 0.00 175.26 174.57 2jiy s VAL 181 N 1.68 2.86 -0.04 3.70 1.01 0.42 -0.60 120.40 129.42 2jiy s VAL 181 Ca 0.16 -0.72 -0.20 0.00 0.00 0.00 0.00 61.98 61.22 2jiy s VAL 181 Cb -0.15 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 2jiy s VAL 181 CO 0.09 0.52 0.58 -0.70 0.00 0.00 0.00 175.10 175.58 2jiy s GLU 182 N 0.59 4.32 0.63 2.72 2.12 0.23 -0.89 118.70 128.43 2jiy s GLU 182 Ca -0.08 0.68 0.04 0.00 0.36 0.00 0.00 54.97 55.97 2jiy s GLU 182 Cb -0.16 -3.37 0.10 0.00 0.26 0.00 0.00 34.13 30.96 2jiy s GLU 182 CO 0.03 0.29 0.87 -0.51 -0.54 0.00 0.00 175.26 175.41 2jiy s LEU 183 N 0.09 3.10 0.47 2.70 1.43 0.11 -1.89 118.68 124.68 2jiy s LEU 183 Ca 0.31 -0.51 0.15 0.00 -1.03 0.00 0.00 54.13 53.04 2jiy s LEU 183 Cb -0.17 -1.98 1.11 0.00 0.03 0.00 0.00 46.19 45.18 2jiy s LEU 183 CO 0.16 -1.54 2.04 0.50 0.23 0.00 0.00 176.35 177.74 2jiy h LYS 184 N -0.14 0.27 -0.02 1.70 1.63 -1.87 -0.67 116.57 117.47 2jiy h LYS 184 Ca -0.35 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 2jiy h LYS 184 Cb 1.28 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 2jiy h LYS 184 CO 0.42 0.18 0.00 -0.40 -3.45 0.00 0.00 179.45 176.19 2jiy n ASP 185 N -4.47 0.54 0.00 4.20 5.75 -1.26 -4.92 116.55 116.39 2jiy n ASP 185 Ca 0.05 -1.26 0.00 0.00 -0.01 0.00 0.00 54.79 53.57 2jiy n ASP 185 Cb 0.28 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 2jiy n ASP 185 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jiy n GLY 186 N 1.02 1.39 3.91 6.12 0.00 -0.26 -5.06 105.19 112.32 2jiy n GLY 186 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 2jiy n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jiy s SER 187 N -2.99 4.84 0.17 1.61 1.04 -1.26 -4.76 113.70 112.34 2jiy s SER 187 Ca 0.00 0.73 0.06 0.00 0.48 0.00 0.00 55.95 57.22 2jiy s SER 187 Cb 0.00 -1.36 -0.04 0.00 0.10 0.00 0.00 66.02 64.72 2jiy s SER 187 CO 0.00 -1.65 -0.13 0.42 0.98 0.00 0.00 173.24 172.86 2jiy s THR 188 N -3.39 1.44 0.08 2.02 -4.23 -1.26 0.05 115.64 110.35 2jiy s THR 188 Ca 0.60 -2.09 0.01 0.00 -1.18 0.00 0.00 61.69 59.04 2jiy s THR 188 Cb -0.11 -1.90 -0.04 0.00 1.34 0.00 0.00 72.50 71.79 2jiy s THR 188 CO 0.48 -0.64 -0.06 -0.13 -0.54 0.00 0.00 174.62 173.73 2jiy s ARG 189 N -3.57 0.76 -0.12 3.99 1.81 -0.07 -4.89 118.95 116.85 2jiy s ARG 189 Ca 0.18 -1.25 -0.09 0.00 -1.72 0.00 0.00 55.73 52.85 2jiy s ARG 189 Cb 0.00 -0.14 -0.05 0.00 -0.45 0.00 0.00 34.95 34.32 2jiy s ARG 189 CO 0.04 -0.03 0.19 -0.51 -0.68 0.00 0.00 175.30 174.31 2jiy s LEU 190 N -2.86 4.35 -0.12 2.53 1.43 -1.26 -0.44 118.68 122.32 2jiy s LEU 190 Ca 0.08 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.70 2jiy s LEU 190 Cb 0.04 -2.18 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 2jiy s LEU 190 CO -0.05 0.32 -0.19 -0.76 0.23 0.00 0.00 176.35 175.89 2jiy s LEU 191 N -0.59 2.35 0.33 1.79 1.02 -0.05 -4.96 118.68 118.57 2jiy s LEU 191 Ca 0.15 -0.47 -0.29 0.00 0.02 0.00 0.00 54.13 53.54 2jiy s LEU 191 Cb -0.13 -1.50 -0.12 0.00 0.02 0.00 0.00 46.19 44.47 2jiy s LEU 191 CO 0.04 0.15 1.43 -2.65 0.02 0.00 0.00 176.35 175.35 2jiy n PRO 192 N 3.57 2.40 0.24 1.29 -0.02 -1.26 -0.90 135.00 140.32 2jiy n PRO 192 Ca -0.19 0.85 0.08 0.00 -2.02 0.00 0.00 63.50 62.22 2jiy n PRO 192 Cb 0.53 -2.53 0.58 0.00 -0.02 0.00 0.00 33.50 32.06 2jiy n PRO 192 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2jiy h MET 193 N 3.39 0.00 0.00 -0.52 4.05 -1.32 -1.24 114.93 119.29 2jiy h MET 193 Ca -0.47 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 2jiy h MET 193 Cb 1.26 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.06 2jiy h MET 193 CO 0.68 0.19 0.00 1.04 0.23 0.00 0.00 176.91 179.06 2jiy n GLN 194 N -3.91 0.39 -0.14 0.39 3.00 -1.26 -3.36 117.38 112.49 2jiy n GLN 194 Ca -0.02 0.05 0.09 0.00 -0.01 0.00 0.00 57.00 57.10 2jiy n GLN 194 Cb 0.28 -1.50 0.15 0.00 0.00 0.00 0.00 30.24 29.17 2jiy n GLN 194 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 2jiy n MET 195 N -1.26 1.81 -4.22 -1.09 2.81 -0.47 -5.00 117.12 109.69 2jiy n MET 195 Ca 0.12 -2.51 -0.18 0.00 -1.81 0.00 0.00 57.70 53.32 2jiy n MET 195 Cb 0.19 -1.51 -0.11 0.00 -0.71 0.00 0.00 33.22 31.08 2jiy n MET 195 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2jiy s VAL 196 N -2.64 1.27 -0.28 2.03 -7.23 -1.21 -4.53 120.40 107.81 2jiy s VAL 196 Ca 0.31 -1.62 -0.01 0.00 -1.81 0.00 0.00 61.98 58.85 2jiy s VAL 196 Cb 0.26 -1.43 0.05 0.00 0.56 0.00 0.00 36.38 35.82 2jiy s VAL 196 CO 0.04 -0.38 -0.04 -0.75 -0.31 0.00 0.00 175.10 173.67 2jiy s LYS 197 N -2.47 2.47 -0.27 4.82 2.20 -0.06 -4.98 119.74 121.44 2jiy s LYS 197 Ca 0.06 -1.23 -0.28 0.00 -0.36 0.00 0.00 55.97 54.17 2jiy s LYS 197 Cb -0.06 -3.07 0.01 0.00 -1.51 0.00 0.00 37.83 33.20 2jiy s LYS 197 CO 0.03 -0.56 1.01 0.08 -0.36 0.00 0.00 175.35 175.54 2jiy s VAL 198 N 1.23 4.64 0.50 4.02 1.01 -1.26 -1.00 120.40 129.54 2jiy s VAL 198 Ca -0.05 1.79 0.04 0.00 0.00 0.00 0.00 61.98 63.77 2jiy s VAL 198 Cb -0.19 -4.32 -0.00 0.00 0.00 0.00 0.00 36.38 31.87 2jiy s VAL 198 CO -0.03 -0.29 0.21 -1.10 0.00 0.00 0.00 175.10 173.89 2jiy s GLN 199 N 3.32 2.23 0.42 2.72 -0.21 0.58 -5.01 119.66 123.71 2jiy s GLN 199 Ca 0.43 -2.10 0.17 0.00 0.02 0.00 0.00 55.36 53.88 2jiy s GLN 199 Cb -0.14 -1.88 0.93 0.00 1.00 0.00 0.00 33.01 32.92 2jiy s GLN 199 CO 0.10 -0.40 1.89 0.66 -2.12 0.00 0.00 175.29 175.42 2jiy h SER 200 N 1.12 0.00 0.00 5.90 4.64 -2.02 -3.25 113.55 119.95 2jiy h SER 200 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2jiy h SER 200 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2jiy h SER 200 CO 0.66 0.29 0.00 -0.46 -0.87 0.00 0.00 176.83 176.45 2jiy n ASN 201 N -3.92 0.95 -3.70 4.97 6.94 -1.26 -5.08 115.26 114.16 2jiy n ASN 201 Ca -0.02 -1.07 -0.05 0.00 -0.02 0.00 0.00 54.58 53.42 2jiy n ASN 201 Cb 0.36 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.77 2jiy n ASN 201 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jiy s ARG 202 N -0.07 1.20 -0.20 -3.83 1.70 -1.23 -4.45 118.95 112.07 2jiy s ARG 202 Ca 0.00 -0.62 -0.04 0.00 -0.47 0.00 0.00 55.73 54.60 2jiy s ARG 202 Cb 0.00 0.44 -0.02 0.00 -0.57 0.00 0.00 34.95 34.80 2jiy s ARG 202 CO 0.00 -0.55 -0.02 0.08 -1.08 0.00 0.00 175.30 173.73 2jiy s VAL 203 N -3.36 3.69 -0.16 4.99 1.01 0.24 -0.30 120.40 126.50 2jiy s VAL 203 Ca 0.10 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 2jiy s VAL 203 Cb -0.02 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 2jiy s VAL 203 CO -0.00 0.43 0.07 -2.28 0.00 0.00 0.00 175.10 173.32 2jiy s HIS 204 N 1.14 3.31 -0.33 5.22 2.46 -0.17 -0.59 115.29 126.33 2jiy s HIS 204 Ca 0.02 0.18 0.03 0.00 0.47 0.00 0.00 55.06 55.76 2jiy s HIS 204 Cb -0.15 -2.02 0.09 0.00 -0.13 0.00 0.00 32.58 30.37 2jiy s HIS 204 CO 0.00 0.30 0.03 0.08 -2.47 0.00 0.00 174.74 172.68 2jiy s VAL 205 N -0.02 2.40 0.28 0.89 1.01 0.45 -0.89 120.40 124.52 2jiy s VAL 205 Ca 0.07 -2.11 0.03 0.00 0.00 0.00 0.00 61.98 59.97 2jiy s VAL 205 Cb -0.12 -2.66 0.06 0.00 0.00 0.00 0.00 36.38 33.67 2jiy s VAL 205 CO 0.01 -0.45 1.72 -1.13 0.00 0.00 0.00 175.10 175.24 2jiy h ASN 206 N 7.71 0.45 0.30 3.32 -0.00 -1.85 -2.63 115.58 122.89 2jiy h ASN 206 Ca -0.09 -0.15 -0.05 0.00 -0.00 0.00 0.00 56.30 56.00 2jiy h ASN 206 Cb 1.03 -0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 39.22 2jiy h ASN 206 CO 0.53 0.71 -0.24 0.00 -0.00 0.00 0.00 177.43 178.43 2jiy h ALA 207 N 1.32 1.49 -4.07 1.57 0.00 -1.87 -3.40 119.26 114.30 2jiy h ALA 207 Ca 0.05 -0.21 -0.48 0.00 0.00 0.00 0.00 54.91 54.27 2jiy h ALA 207 Cb 0.69 -0.04 -0.28 0.00 0.00 0.00 0.00 17.79 18.16 2jiy h ALA 207 CO 0.05 0.30 -0.81 -0.51 0.00 0.00 0.00 179.25 178.28 2jiy s LEU 208 N -8.15 2.08 0.51 0.00 1.43 -1.23 -3.19 118.68 110.12 2jiy s LEU 208 Ca -0.03 -0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 52.66 2jiy s LEU 208 Cb 0.15 -0.72 -0.04 0.00 0.03 0.00 0.00 46.19 45.61 2jiy s LEU 208 CO 0.68 0.13 0.85 -0.94 0.23 0.00 0.00 176.35 177.30 2jiy s SER 209 N -0.63 6.27 0.29 2.29 1.04 -1.26 -0.53 113.70 121.18 2jiy s SER 209 Ca 0.05 1.07 0.01 0.00 0.48 0.00 0.00 55.95 57.55 2jiy s SER 209 Cb -0.06 -2.31 0.52 0.00 0.10 0.00 0.00 66.02 64.27 2jiy s SER 209 CO 0.00 -0.64 1.88 0.77 0.98 0.00 0.00 173.24 176.24 2jiy h SER 210 N 0.16 0.93 0.35 7.02 4.64 -1.88 0.16 113.55 124.94 2jiy h SER 210 Ca -0.46 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2jiy h SER 210 Cb 1.20 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2jiy h SER 210 CO 0.62 0.57 0.00 -0.90 -0.87 0.00 0.00 176.83 176.25 2jiy n ASP 211 N -4.52 0.35 -0.40 4.97 5.75 -1.26 -2.69 116.55 118.75 2jiy n ASP 211 Ca 0.16 0.62 0.12 0.00 -0.01 0.00 0.00 54.79 55.67 2jiy n ASP 211 Cb 0.25 -0.68 0.14 0.00 -1.03 0.00 0.00 41.12 39.80 2jiy n ASP 211 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2jiy n LEU 212 N -1.92 1.64 -0.11 -2.12 4.77 0.04 -4.38 117.00 114.93 2jiy n LEU 212 Ca 0.01 -0.57 -0.07 0.00 -0.03 0.00 0.00 56.01 55.36 2jiy n LEU 212 Cb 0.12 -0.05 0.10 0.00 -2.33 0.00 0.00 43.42 41.27 2jiy n LEU 212 CO 0.12 0.31 0.78 -0.26 -1.33 0.00 0.00 177.39 177.01 2jiy h PHE 213 N 1.94 0.91 -0.14 -1.77 -1.00 -1.58 -2.74 116.94 112.56 2jiy h PHE 213 Ca 0.00 -0.17 0.00 0.00 2.81 0.00 0.00 57.97 60.61 2jiy h PHE 213 Cb 0.66 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.98 2jiy h PHE 213 CO 0.00 0.89 0.09 0.00 -1.61 0.00 0.00 178.31 177.68 2jiy h ALA 214 N 1.13 1.90 0.00 2.45 0.00 -1.80 -2.35 119.26 120.59 2jiy h ALA 214 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jiy h ALA 214 Cb 0.61 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2jiy h ALA 214 CO 0.04 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.79 2jiy n GLY 215 N -1.52 -1.51 3.67 0.00 0.00 -1.04 -4.83 105.19 99.98 2jiy n GLY 215 Ca -0.01 -0.05 -0.48 0.00 0.00 0.00 0.00 46.02 45.48 2jiy n GLY 215 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jiy n ILE 216 N -1.88 0.30 -1.65 -0.61 5.41 -0.89 -4.86 119.36 115.20 2jiy n ILE 216 Ca 0.06 -0.05 -0.45 0.00 1.00 0.00 0.00 62.75 63.30 2jiy n ILE 216 Cb 0.35 -1.62 -0.02 0.00 -0.71 0.00 0.00 39.64 37.63 2jiy n ILE 216 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2jiy n PRO 217 N 5.05 1.78 -2.56 0.38 -0.02 -1.26 -4.97 135.00 133.40 2jiy n PRO 217 Ca 0.21 0.63 -0.28 0.00 -2.02 0.00 0.00 63.50 62.03 2jiy n PRO 217 Cb 0.27 -2.20 -0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2jiy n PRO 217 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2jiy s THR 218 N -0.39 4.87 0.08 3.45 -4.23 -1.26 -4.77 115.64 113.39 2jiy s THR 218 Ca 0.66 0.34 0.03 0.00 -1.18 0.00 0.00 61.69 61.54 2jiy s THR 218 Cb -0.68 -3.85 -0.04 0.00 1.34 0.00 0.00 72.50 69.27 2jiy s THR 218 CO 0.54 -0.85 0.11 0.27 -0.54 0.00 0.00 174.62 174.15 2jiy s ILE 219 N -2.76 4.70 0.16 2.99 -4.36 -1.26 -5.02 121.20 115.65 2jiy s ILE 219 Ca 0.49 -0.72 -0.08 0.00 -0.26 0.00 0.00 60.65 60.08 2jiy s ILE 219 Cb -0.10 -3.28 -0.07 0.00 1.25 0.00 0.00 42.46 40.25 2jiy s ILE 219 CO 0.44 0.11 1.45 0.11 0.24 0.00 0.00 174.94 177.29 2jiy h LYS 220 N 3.17 0.74 -6.42 0.37 1.57 -1.99 -3.44 116.57 110.57 2jiy h LYS 220 Ca -0.46 -0.47 -0.66 0.00 -1.87 0.00 0.00 60.65 57.19 2jiy h LYS 220 Cb 1.17 0.05 -0.29 0.00 0.08 0.00 0.00 32.23 33.24 2jiy h LYS 220 CO 0.67 1.09 -0.87 -1.12 -0.57 0.00 0.00 179.45 178.65 2jiy s SER 221 N -6.94 2.84 0.57 0.86 0.01 -1.26 -5.03 113.70 104.76 2jiy s SER 221 Ca -0.09 -0.47 0.37 0.00 1.31 0.00 0.00 55.95 57.06 2jiy s SER 221 Cb 0.11 -0.30 1.72 0.00 0.21 0.00 0.00 66.02 67.76 2jiy s SER 221 CO 0.87 0.27 2.10 1.55 0.41 0.00 0.00 173.24 178.44 2jiy h PRO 222 N 5.33 0.00 -0.07 12.44 0.13 -2.06 -3.21 132.00 144.55 2jiy h PRO 222 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2jiy h PRO 222 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2jiy h PRO 222 CO 0.46 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.48 2jiy n THR 223 N -3.02 0.47 -3.74 1.56 -2.24 -1.26 -4.87 114.28 101.18 2jiy n THR 223 Ca -0.01 -0.74 -0.10 0.00 -2.27 0.00 0.00 64.05 60.94 2jiy n THR 223 Cb 0.21 0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 69.20 2jiy n THR 223 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2jiy s GLU 224 N -0.69 0.94 -0.03 -0.78 -1.05 -1.22 -4.45 118.70 111.43 2jiy s GLU 224 Ca 0.08 -0.79 0.02 0.00 -0.15 0.00 0.00 54.97 54.12 2jiy s GLU 224 Cb 0.05 0.40 0.01 0.00 -0.44 0.00 0.00 34.13 34.15 2jiy s GLU 224 CO 0.06 -0.34 -0.07 0.54 0.95 0.00 0.00 175.26 176.40 2jiy s VAL 225 N -3.70 0.66 0.44 1.83 0.11 -1.26 -4.40 120.40 114.09 2jiy s VAL 225 Ca 0.03 -0.28 -0.03 0.00 -2.93 0.00 0.00 61.98 58.77 2jiy s VAL 225 Cb 0.03 -0.61 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 2jiy s VAL 225 CO -0.11 0.22 0.71 0.42 -3.33 0.00 0.00 175.10 173.01 2jiy s THR 226 N 0.30 4.87 0.30 5.04 -4.23 -1.26 -4.22 115.64 116.44 2jiy s THR 226 Ca -0.04 -0.05 -0.00 0.00 -1.18 0.00 0.00 61.69 60.41 2jiy s THR 226 Cb -0.09 -3.83 0.20 0.00 1.34 0.00 0.00 72.50 70.13 2jiy s THR 226 CO 0.00 -0.72 1.90 -0.07 -0.54 0.00 0.00 174.62 175.20 2jiy h LEU 227 N 0.38 0.79 -0.18 4.79 3.38 -1.33 0.45 115.31 123.60 2jiy h LEU 227 Ca -0.48 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.41 2jiy h LEU 227 Cb 1.21 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2jiy h LEU 227 CO 0.61 0.68 0.11 0.25 0.09 0.00 0.00 178.44 180.18 2jiy h LEU 228 N 0.88 0.21 -0.34 1.67 5.85 -1.53 -2.12 115.31 119.93 2jiy h LEU 228 Ca 0.21 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.91 2jiy h LEU 228 Cb 0.11 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2jiy h LEU 228 CO -0.03 0.20 0.16 -0.33 -0.34 0.00 0.00 178.44 178.10 2jiy h GLU 229 N 0.21 0.32 -0.86 1.25 5.08 -1.69 -1.99 114.58 116.89 2jiy h GLU 229 Ca 0.06 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.48 2jiy h GLU 229 Cb 0.03 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.14 2jiy h GLU 229 CO -0.01 0.21 0.52 0.93 -1.00 0.00 0.00 179.01 179.66 2jiy h GLU 230 N 0.33 0.88 -0.48 2.33 5.08 -0.83 -0.12 114.58 121.78 2jiy h GLU 230 Ca 0.14 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 2jiy h GLU 230 Cb 0.07 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2jiy h GLU 230 CO -0.11 0.59 -0.21 0.22 -1.00 0.00 0.00 179.01 178.49 2jiy h ASP 231 N 0.91 1.02 -0.18 1.42 3.58 -1.09 0.89 116.42 122.96 2jiy h ASP 231 Ca 0.40 -0.40 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 2jiy h ASP 231 Cb 0.27 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 2jiy h ASP 231 CO -0.21 1.19 0.05 0.11 -2.88 0.00 0.00 179.24 177.50 2jiy h LYS 232 N 0.85 0.29 0.54 0.28 1.57 -0.82 -0.35 116.57 118.92 2jiy h LYS 232 Ca 0.11 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2jiy h LYS 232 Cb 0.80 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 2jiy h LYS 232 CO 0.07 0.40 -0.30 0.82 -0.57 0.00 0.00 179.45 179.87 2jiy h ILE 233 N 0.12 0.39 -0.67 1.86 2.04 -0.95 -1.93 117.51 118.38 2jiy h ILE 233 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 2jiy h ILE 233 Cb 0.24 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 2jiy h ILE 233 CO -0.00 0.00 0.43 0.00 0.00 0.00 0.00 178.15 178.58 2jiy h GLY 235 N 0.90 0.69 0.94 0.00 0.00 -1.07 -1.82 103.07 102.71 2jiy h GLY 235 Ca 0.24 -0.36 0.01 0.00 0.00 0.00 0.00 47.33 47.22 2jiy h GLY 235 CO -0.05 0.34 0.11 -1.82 0.00 0.00 0.00 176.54 175.12 2jiy h TYR 236 N 0.57 0.21 -0.15 5.60 3.20 -1.07 0.56 116.97 125.90 2jiy h TYR 236 Ca 0.15 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 2jiy h TYR 236 Cb 0.15 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2jiy h TYR 236 CO -0.01 0.13 0.03 0.28 -1.64 0.00 0.00 178.16 176.95 2jiy h VAL 237 N 0.24 1.22 -0.94 1.81 2.07 -1.24 -2.45 116.25 116.96 2jiy h VAL 237 Ca 0.08 -0.69 0.09 0.00 0.82 0.00 0.00 66.70 67.00 2jiy h VAL 237 Cb 0.00 1.39 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 2jiy h VAL 237 CO -0.04 0.21 0.60 0.00 0.02 0.00 0.00 177.57 178.36 2jiy h ALA 238 N 0.81 1.55 -0.15 1.67 0.00 -1.25 -2.10 119.26 119.78 2jiy h ALA 238 Ca 0.05 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2jiy h ALA 238 Cb 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2jiy h ALA 238 CO 0.00 0.28 0.13 0.78 0.00 0.00 0.00 179.25 180.44 2jiy h GLY 239 N 0.99 0.00 2.00 0.00 0.00 -0.39 -2.47 103.07 103.20 2jiy h GLY 239 Ca 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.72 2jiy h GLY 239 CO -0.19 0.00 -0.17 -1.33 0.00 0.00 0.00 176.54 174.86 2jiy h GLY 240 N 0.00 0.00 0.84 4.60 0.00 -1.20 -0.01 103.07 107.30 2jiy h GLY 240 Ca 0.07 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.44 2jiy h GLY 240 CO -0.00 0.00 0.41 1.41 0.00 0.00 0.00 176.54 178.36 2jiy h LEU 241 N 0.00 0.66 0.02 3.11 3.38 -1.40 0.19 115.31 121.27 2jiy h LEU 241 Ca -0.00 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jiy h LEU 241 Cb 0.46 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2jiy h LEU 241 CO 0.02 0.45 -0.01 -0.03 0.09 0.00 0.00 178.44 178.96 2jiy h MET 242 N 0.79 -0.03 -0.00 1.13 4.05 -1.65 -3.37 114.93 115.84 2jiy h MET 242 Ca 0.27 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.70 2jiy h MET 242 Cb 0.05 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.86 2jiy h MET 242 CO -0.12 0.70 -0.40 0.66 0.23 0.00 0.00 176.91 177.97 2jiy n TYR 243 N -4.71 0.00 0.37 1.39 4.01 -0.05 -3.11 117.16 115.06 2jiy n TYR 243 Ca -0.08 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.76 2jiy n TYR 243 Cb 0.36 -0.25 0.16 0.00 -0.31 0.00 0.00 39.34 39.30 2jiy n TYR 243 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jiy n ALA 244 N -1.35 2.41 -0.34 -0.72 0.00 0.66 -4.72 120.51 116.45 2jiy n ALA 244 Ca 0.07 -0.89 0.11 0.00 0.00 0.00 0.00 53.44 52.72 2jiy n ALA 244 Cb 0.33 -0.71 0.28 0.00 0.00 0.00 0.00 19.45 19.36 2jiy n ALA 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jiy h ALA 245 N 3.77 1.56 0.00 0.00 0.00 -1.64 0.49 119.26 123.44 2jiy h ALA 245 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2jiy h ALA 245 Cb 0.86 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2jiy h ALA 245 CO 0.00 0.00 -0.04 -1.00 0.00 0.00 0.00 179.25 178.22 2jiy h PRO 246 N 0.79 0.00 -0.02 0.00 0.13 -1.86 -2.46 132.00 128.58 2jiy h PRO 246 Ca 0.54 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.67 2jiy h PRO 246 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2jiy h PRO 246 CO -0.35 0.04 -0.15 1.63 -0.23 0.00 0.00 178.00 178.94 2jiy n LYS 247 N -3.27 1.53 -3.02 0.86 5.02 0.12 -4.87 118.16 114.53 2jiy n LYS 247 Ca -0.01 -1.07 -0.44 0.00 -2.02 0.00 0.00 58.31 54.77 2jiy n LYS 247 Cb 0.20 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.68 2jiy n LYS 247 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2jiy s ARG 248 N -2.21 3.14 0.29 1.97 3.52 -0.93 -3.63 118.95 121.10 2jiy s ARG 248 Ca 0.29 -0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 54.73 2jiy s ARG 248 Cb 0.20 -4.16 -0.11 0.00 -1.56 0.00 0.00 34.95 29.32 2jiy s ARG 248 CO 0.42 -1.49 1.52 0.15 -0.81 0.00 0.00 175.30 175.09 2jiy s LYS 249 N 3.22 4.17 0.00 5.12 1.02 -1.01 -5.00 119.74 127.27 2jiy s LYS 249 Ca 0.19 2.48 0.00 0.00 0.02 0.00 0.00 55.97 58.66 2jiy s LYS 249 Cb -0.19 -3.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.08 2jiy s LYS 249 CO 0.11 -0.54 0.42 0.43 -0.92 0.00 0.00 175.35 174.86