#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wx5 h LEU 12 N 0.00 -0.31 -1.06 -2.67 6.46 -2.05 -1.04 115.31 114.63 2wx5 h LEU 12 Ca 0.00 0.16 -0.06 0.00 -0.12 0.00 0.00 57.88 57.86 2wx5 h LEU 12 Cb 0.00 0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 2wx5 h LEU 12 CO 0.00 -0.13 0.01 0.00 -0.62 0.00 0.00 178.44 177.70 2wx5 h ALA 13 N 1.57 1.23 -0.24 1.25 0.00 -2.06 0.79 119.26 121.81 2wx5 h ALA 13 Ca 0.32 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2wx5 h ALA 13 Cb 0.52 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2wx5 h ALA 13 CO -0.54 0.51 -0.26 0.77 0.00 0.00 0.00 179.25 179.73 2wx5 h SER 14 N 0.64 0.46 0.44 0.00 0.02 -1.65 -1.83 113.55 111.62 2wx5 h SER 14 Ca 0.13 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2wx5 h SER 14 Cb 0.39 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2wx5 h SER 14 CO 0.01 0.71 -0.21 0.25 -1.14 0.00 0.00 176.83 176.46 2wx5 h LEU 15 N 0.40 -0.50 -0.98 5.07 5.85 -0.73 -2.39 115.31 122.05 2wx5 h LEU 15 Ca 0.06 -0.10 0.29 0.00 0.84 0.00 0.00 57.88 58.98 2wx5 h LEU 15 Cb 0.67 0.13 -0.14 0.00 0.37 0.00 0.00 40.66 41.69 2wx5 h LEU 15 CO 0.05 -0.16 0.50 0.00 -0.34 0.00 0.00 178.44 178.49 2wx5 h ALA 16 N -0.46 1.79 0.00 1.25 0.00 -0.65 0.17 119.26 121.37 2wx5 h ALA 16 Ca -0.06 0.19 -0.24 0.00 0.00 0.00 0.00 54.91 54.80 2wx5 h ALA 16 Cb 0.56 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2wx5 h ALA 16 CO 0.10 -0.51 -1.29 0.97 0.00 0.00 0.00 179.25 178.52 2wx5 h ILE 17 N 0.33 1.29 0.20 0.00 -0.00 -1.31 -1.78 117.51 116.24 2wx5 h ILE 17 Ca 0.69 -3.04 -0.01 0.00 -0.00 0.00 0.00 64.86 62.49 2wx5 h ILE 17 Cb 1.50 2.63 0.00 0.00 -0.00 0.00 0.00 36.82 40.95 2wx5 h ILE 17 CO -0.60 0.74 -0.10 0.22 -0.00 0.00 0.00 178.15 178.40 2wx5 h TYR 18 N 0.00 -0.25 -0.93 2.19 3.20 -0.63 -2.26 116.97 118.28 2wx5 h TYR 18 Ca -0.13 -0.01 0.24 0.00 3.14 0.00 0.00 58.73 61.97 2wx5 h TYR 18 Cb 1.85 0.08 -0.17 0.00 1.54 0.00 0.00 36.73 40.03 2wx5 h TYR 18 CO 0.00 0.15 -0.01 0.77 -1.64 0.00 0.00 178.16 177.42 2wx5 h SER 19 N -0.80 -0.50 0.31 -2.11 0.02 -0.77 -0.32 113.55 109.38 2wx5 h SER 19 Ca -0.03 0.26 -0.11 0.00 -0.84 0.00 0.00 61.79 61.07 2wx5 h SER 19 Cb 0.51 0.47 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 2wx5 h SER 19 CO 0.05 -0.30 -0.45 0.15 -1.14 0.00 0.00 176.83 175.13 2wx5 h PHE 20 N 0.04 0.20 0.00 3.45 3.57 -1.23 -0.29 116.94 122.68 2wx5 h PHE 20 Ca 0.54 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.96 2wx5 h PHE 20 Cb 1.03 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 2wx5 h PHE 20 CO -0.52 0.59 -0.06 -1.49 -2.23 0.00 0.00 178.31 174.60 2wx5 h TRP 21 N 0.14 0.00 0.00 0.41 4.06 -0.45 -1.33 115.95 118.79 2wx5 h TRP 21 Ca 0.01 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.95 2wx5 h TRP 21 Cb 0.85 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.01 2wx5 h TRP 21 CO 0.01 0.06 -0.05 0.82 -3.56 0.00 0.00 178.44 175.72 2wx5 h ILE 22 N 0.00 1.07 -0.90 1.49 2.04 -1.06 -2.79 117.51 117.37 2wx5 h ILE 22 Ca -0.00 -1.82 0.25 0.00 1.00 0.00 0.00 64.86 64.29 2wx5 h ILE 22 Cb 0.63 2.03 -0.15 0.00 -0.74 0.00 0.00 36.82 38.59 2wx5 h ILE 22 CO 0.01 0.36 0.17 0.15 0.00 0.00 0.00 178.15 178.84 2wx5 h PHE 23 N -1.00 0.23 -0.27 1.37 3.57 -1.02 -1.84 116.94 117.99 2wx5 h PHE 23 Ca -0.01 0.06 -0.16 0.00 3.53 0.00 0.00 57.97 61.38 2wx5 h PHE 23 Cb 0.63 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 2wx5 h PHE 23 CO 0.16 -0.28 -0.49 1.25 -2.23 0.00 0.00 178.31 176.72 2wx5 h LEU 24 N 0.14 0.80 -0.83 0.59 5.85 -1.28 -1.18 115.31 119.40 2wx5 h LEU 24 Ca 0.56 -0.40 0.02 0.00 0.84 0.00 0.00 57.88 58.90 2wx5 h LEU 24 Cb 1.15 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 2wx5 h LEU 24 CO -0.73 1.15 0.54 0.00 -0.34 0.00 0.00 178.44 179.07 2wx5 h ALA 25 N 0.87 1.06 -0.80 1.25 0.00 -1.13 -0.41 119.26 120.10 2wx5 h ALA 25 Ca 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2wx5 h ALA 25 Cb 1.05 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2wx5 h ALA 25 CO 0.10 0.43 0.42 0.78 0.00 0.00 0.00 179.25 180.98 2wx5 h GLY 26 N 1.09 1.20 1.32 0.00 0.00 -1.04 -2.03 103.07 103.61 2wx5 h GLY 26 Ca 0.31 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 2wx5 h GLY 26 CO -0.08 0.53 0.21 -2.00 0.00 0.00 0.00 176.54 175.20 2wx5 h LEU 27 N 1.11 0.80 -0.56 3.11 5.85 -0.91 -0.81 115.31 123.90 2wx5 h LEU 27 Ca 0.28 -0.12 -0.16 0.00 0.84 0.00 0.00 57.88 58.72 2wx5 h LEU 27 Cb 0.05 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2wx5 h LEU 27 CO -0.04 0.74 -0.66 0.40 -0.34 0.00 0.00 178.44 178.54 2wx5 h ILE 28 N 0.85 1.40 0.60 4.05 2.04 -0.68 -0.21 117.51 125.57 2wx5 h ILE 28 Ca 0.20 -2.09 -0.03 0.00 1.00 0.00 0.00 64.86 63.94 2wx5 h ILE 28 Cb 0.21 2.08 0.01 0.00 -0.74 0.00 0.00 36.82 38.37 2wx5 h ILE 28 CO -0.01 0.62 -0.29 0.22 0.00 0.00 0.00 178.15 178.68 2wx5 h TYR 29 N 0.19 -0.75 -1.00 1.37 3.20 -1.06 0.10 116.97 119.03 2wx5 h TYR 29 Ca -0.01 -0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.01 2wx5 h TYR 29 Cb 1.19 0.25 -0.17 0.00 1.54 0.00 0.00 36.73 39.54 2wx5 h TYR 29 CO 0.03 -0.47 -0.34 -0.92 -1.64 0.00 0.00 178.16 174.82 2wx5 h TYR 30 N -0.99 -0.88 -0.48 -3.82 3.20 -1.13 0.64 116.97 113.51 2wx5 h TYR 30 Ca -0.08 0.10 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 2wx5 h TYR 30 Cb 0.62 0.53 -0.02 0.00 1.54 0.00 0.00 36.73 39.41 2wx5 h TYR 30 CO 0.04 -0.41 -0.10 -0.07 -1.64 0.00 0.00 178.16 175.98 2wx5 h LEU 31 N -0.00 0.87 0.01 2.82 3.38 -0.90 -0.09 115.31 121.41 2wx5 h LEU 31 Ca 0.40 -0.27 -0.25 0.00 0.09 0.00 0.00 57.88 57.85 2wx5 h LEU 31 Cb 0.65 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 41.18 2wx5 h LEU 31 CO -1.00 0.99 -0.99 -0.61 0.09 0.00 0.00 178.44 176.92 2wx5 h GLN 32 N 0.79 0.65 -0.19 1.13 5.75 0.94 -2.78 115.11 121.40 2wx5 h GLN 32 Ca 0.13 -0.71 0.02 0.00 -0.15 0.00 0.00 58.65 57.94 2wx5 h GLN 32 Cb 0.61 0.21 -0.02 0.00 1.07 0.00 0.00 27.48 29.35 2wx5 h GLN 32 CO 0.04 1.30 0.04 1.79 -2.65 0.00 0.00 178.83 179.35 2wx5 h THR 33 N 0.30 0.92 -1.04 2.39 1.35 -0.86 -1.28 112.91 114.68 2wx5 h THR 33 Ca -0.13 -0.04 0.30 0.00 -0.55 0.00 0.00 66.41 65.99 2wx5 h THR 33 Cb 1.66 0.79 -0.04 0.00 -1.73 0.00 0.00 68.15 68.82 2wx5 h THR 33 CO 0.19 0.02 0.76 -0.33 -0.25 0.00 0.00 175.52 175.92 2wx5 h GLU 34 N 0.12 0.00 -0.55 4.72 4.39 -1.03 0.16 114.58 122.39 2wx5 h GLU 34 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2wx5 h GLU 34 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2wx5 h GLU 34 CO -0.11 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.83 2wx5 n ASN 35 N -4.18 2.36 -0.71 1.42 3.02 -0.49 -3.46 115.26 113.22 2wx5 n ASN 35 Ca 0.22 -2.18 0.06 0.00 -0.03 0.00 0.00 54.58 52.65 2wx5 n ASN 35 Cb 1.12 -0.38 0.19 0.00 -0.61 0.00 0.00 39.78 40.09 2wx5 n ASN 35 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2wx5 n MET 36 N 0.38 2.90 0.00 3.52 2.81 0.55 -4.52 117.12 122.76 2wx5 n MET 36 Ca 0.12 -2.31 0.04 0.00 -1.81 0.00 0.00 57.70 53.73 2wx5 n MET 36 Cb 0.45 -1.46 0.22 0.00 -0.71 0.00 0.00 33.22 31.73 2wx5 n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2wx5 n ARG 37 N 0.15 0.92 -3.81 0.03 1.74 -1.23 -4.39 116.66 110.07 2wx5 n ARG 37 Ca 0.15 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.10 2wx5 n ARG 37 Cb 0.58 -1.13 -0.11 0.00 -1.02 0.00 0.00 32.46 30.78 2wx5 n ARG 37 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2wx5 s GLU 38 N -2.00 0.37 0.00 5.56 0.41 -1.26 -4.34 118.70 117.44 2wx5 s GLU 38 Ca 0.11 0.09 0.00 0.00 -0.41 0.00 0.00 54.97 54.76 2wx5 s GLU 38 Cb 0.05 0.17 0.00 0.00 -1.78 0.00 0.00 34.13 32.57 2wx5 s GLU 38 CO 0.09 -0.07 0.00 0.41 -0.49 0.00 0.00 175.26 175.20 2wx5 n GLY 39 N 2.40 1.68 3.81 -1.39 0.00 -1.26 -4.99 105.19 105.44 2wx5 n GLY 39 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 2wx5 n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wx5 s TYR 40 N -2.83 3.27 0.53 1.61 1.51 -1.26 -4.24 117.35 115.94 2wx5 s TYR 40 Ca 0.00 0.12 -0.18 0.00 -1.01 0.00 0.00 57.07 56.00 2wx5 s TYR 40 Cb 0.00 -1.65 -0.06 0.00 -0.11 0.00 0.00 41.96 40.13 2wx5 s TYR 40 CO 0.00 0.54 1.05 -2.14 -1.11 0.00 0.00 175.55 173.89 2wx5 s PRO 41 N -2.40 3.58 0.78 -1.71 0.02 -1.26 -4.84 135.00 129.16 2wx5 s PRO 41 Ca 0.30 1.32 -0.14 0.00 0.02 0.00 0.00 61.00 62.50 2wx5 s PRO 41 Cb -0.12 -2.06 0.04 0.00 0.02 0.00 0.00 34.50 32.37 2wx5 s PRO 41 CO 0.23 -0.61 1.00 1.28 -0.33 0.00 0.00 177.00 178.57 2wx5 n LEU 42 N -1.41 3.42 -4.23 -5.54 4.77 -1.26 -4.92 117.00 107.83 2wx5 n LEU 42 Ca 0.09 0.60 -0.20 0.00 -0.03 0.00 0.00 56.01 56.47 2wx5 n LEU 42 Cb 0.53 -1.42 -0.12 0.00 -2.33 0.00 0.00 43.42 40.07 2wx5 n LEU 42 CO 0.43 -2.09 -0.47 -1.61 -1.33 0.00 0.00 177.39 172.32 2wx5 s GLU 43 N -3.67 0.98 0.70 3.23 2.02 -1.26 -1.61 118.70 119.10 2wx5 s GLU 43 Ca 0.71 -1.12 -0.11 0.00 0.02 0.00 0.00 54.97 54.47 2wx5 s GLU 43 Cb -0.31 -1.02 0.01 0.00 0.10 0.00 0.00 34.13 32.91 2wx5 s GLU 43 CO 0.52 0.22 1.08 -0.80 0.02 0.00 0.00 175.26 176.30 2wx5 s ASN 44 N -2.06 5.45 0.07 -0.19 0.01 -0.21 -4.67 114.94 113.34 2wx5 s ASN 44 Ca 0.04 1.30 0.02 0.00 -0.71 0.00 0.00 52.86 53.51 2wx5 s ASN 44 Cb -0.08 -2.15 0.11 0.00 0.41 0.00 0.00 41.25 39.54 2wx5 s ASN 44 CO 0.03 -1.36 0.82 -0.62 -1.51 0.00 0.00 177.10 174.46 2wx5 n GLU 45 N -3.04 0.02 -0.00 -0.60 1.02 -1.26 -1.12 120.64 115.65 2wx5 n GLU 45 Ca 0.07 0.29 0.10 0.00 -0.02 0.00 0.00 57.16 57.60 2wx5 n GLU 45 Cb 0.56 -1.85 -0.12 0.00 -0.02 0.00 0.00 31.44 30.00 2wx5 n GLU 45 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2wx5 n ASP 46 N -1.38 0.79 0.00 1.62 5.68 -1.26 -4.98 116.55 117.01 2wx5 n ASP 46 Ca -0.00 -0.73 0.00 0.00 -0.50 0.00 0.00 54.79 53.56 2wx5 n ASP 46 Cb 0.31 1.23 0.00 0.00 -1.14 0.00 0.00 41.12 41.52 2wx5 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wx5 n GLY 47 N 1.44 0.81 3.94 6.12 0.00 -0.28 -5.11 105.19 112.11 2wx5 n GLY 47 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 2wx5 n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wx5 s THR 48 N -2.00 4.79 0.27 2.61 -4.23 -1.26 -4.81 115.64 111.01 2wx5 s THR 48 Ca 0.00 -0.36 -0.31 0.00 -1.18 0.00 0.00 61.69 59.85 2wx5 s THR 48 Cb 0.00 -3.76 -0.12 0.00 1.34 0.00 0.00 72.50 69.95 2wx5 s THR 48 CO 0.00 -0.55 1.53 -2.65 -0.54 0.00 0.00 174.62 172.41 2wx5 n PRO 49 N -1.95 2.45 -2.32 3.99 -0.02 -1.26 -1.05 135.00 134.84 2wx5 n PRO 49 Ca -0.02 0.87 -0.32 0.00 -2.02 0.00 0.00 63.50 62.01 2wx5 n PRO 49 Cb 0.56 -2.61 -0.02 0.00 -0.02 0.00 0.00 33.50 31.41 2wx5 n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wx5 s ALA 50 N 0.04 2.97 0.05 3.55 0.00 -0.63 -4.60 121.76 123.14 2wx5 s ALA 50 Ca 0.66 0.26 -0.35 0.00 0.00 0.00 0.00 51.96 52.53 2wx5 s ALA 50 Cb -0.56 -3.16 -0.19 0.00 0.00 0.00 0.00 23.12 19.21 2wx5 s ALA 50 CO 0.48 -0.38 1.47 0.00 0.00 0.00 0.00 175.76 177.34 2wx5 h ALA 51 N 0.85 -1.29 -1.65 0.00 0.00 -1.94 -3.41 119.26 111.82 2wx5 h ALA 51 Ca -0.47 -0.28 -0.56 0.00 0.00 0.00 0.00 54.91 53.61 2wx5 h ALA 51 Cb 1.20 0.49 -0.07 0.00 0.00 0.00 0.00 17.79 19.41 2wx5 h ALA 51 CO 0.60 -1.20 0.97 1.21 0.00 0.00 0.00 179.25 180.83 2wx5 s ASN 52 N -4.02 6.50 0.00 0.00 2.47 -1.26 -4.89 114.94 113.74 2wx5 s ASN 52 Ca -0.19 0.31 0.25 0.00 0.42 0.00 0.00 52.86 53.65 2wx5 s ASN 52 Cb 0.02 -2.55 0.58 0.00 -1.45 0.00 0.00 41.25 37.85 2wx5 s ASN 52 CO 0.56 -1.40 1.48 0.00 -3.72 0.00 0.00 177.10 174.02 2wx5 n GLN 53 N 8.18 2.06 -0.07 0.43 1.13 -1.26 -4.92 117.38 122.94 2wx5 n GLN 53 Ca 0.11 -1.56 0.01 0.00 -1.94 0.00 0.00 57.00 53.62 2wx5 n GLN 53 Cb 0.49 -1.47 -0.00 0.00 0.11 0.00 0.00 30.24 29.37 2wx5 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wx5 n GLY 54 N 1.29 -1.45 0.00 1.08 0.00 -1.26 -4.59 105.19 100.26 2wx5 n GLY 54 Ca 0.17 -1.51 0.14 0.00 0.00 0.00 0.00 46.02 44.81 2wx5 n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wx5 n PRO 55 N -1.48 0.09 -4.02 1.61 -0.04 -1.26 -4.85 135.00 125.05 2wx5 n PRO 55 Ca -0.00 -0.01 -0.36 0.00 -0.04 0.00 0.00 63.50 63.09 2wx5 n PRO 55 Cb 0.03 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.92 2wx5 n PRO 55 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2wx5 s PHE 56 N -2.92 3.46 0.45 0.54 0.08 -1.26 -5.10 117.98 113.24 2wx5 s PHE 56 Ca 0.16 0.42 -0.13 0.00 0.12 0.00 0.00 56.93 57.50 2wx5 s PHE 56 Cb 0.19 -1.90 -0.07 0.00 -0.57 0.00 0.00 43.02 40.67 2wx5 s PHE 56 CO 0.53 0.64 0.87 -1.25 -0.10 0.00 0.00 175.22 175.91 2wx5 s PRO 57 N -0.93 3.86 0.48 0.24 0.04 -1.26 -5.04 135.00 132.39 2wx5 s PRO 57 Ca 0.14 0.70 -0.24 0.00 0.04 0.00 0.00 61.00 61.64 2wx5 s PRO 57 Cb -0.12 -2.28 -0.07 0.00 0.04 0.00 0.00 34.50 32.07 2wx5 s PRO 57 CO 0.03 -0.14 1.37 1.28 0.04 0.00 0.00 177.00 179.59 2wx5 n LEU 58 N -1.40 5.04 -4.87 -3.56 4.77 -1.26 -4.82 117.00 110.91 2wx5 n LEU 58 Ca 0.04 1.07 -0.31 0.00 -0.03 0.00 0.00 56.01 56.78 2wx5 n LEU 58 Cb 0.54 -1.57 0.01 0.00 -2.33 0.00 0.00 43.42 40.06 2wx5 n LEU 58 CO 0.47 -0.41 0.72 -2.16 -1.33 0.00 0.00 177.39 174.67 2wx5 s PRO 59 N -2.55 3.61 -0.07 3.23 0.04 -1.26 -5.01 135.00 132.99 2wx5 s PRO 59 Ca 0.65 0.77 -0.39 0.00 0.04 0.00 0.00 61.00 62.08 2wx5 s PRO 59 Cb -0.45 -2.08 -0.17 0.00 0.04 0.00 0.00 34.50 31.84 2wx5 s PRO 59 CO 0.55 -0.56 1.46 1.17 0.04 0.00 0.00 177.00 179.65 2wx5 n LYS 60 N -2.67 1.00 -0.74 4.56 3.00 -1.26 -4.63 118.16 117.43 2wx5 n LYS 60 Ca 0.06 0.36 -0.31 0.00 -0.00 0.00 0.00 58.31 58.42 2wx5 n LYS 60 Cb 0.54 -2.00 0.16 0.00 0.00 0.00 0.00 35.03 33.73 2wx5 n LYS 60 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2wx5 s PRO 61 N 1.55 1.06 0.18 1.64 0.04 -1.26 -4.76 135.00 133.46 2wx5 s PRO 61 Ca 0.90 1.59 0.02 0.00 0.04 0.00 0.00 61.00 63.56 2wx5 s PRO 61 Cb -1.04 -1.73 -0.05 0.00 0.04 0.00 0.00 34.50 31.72 2wx5 s PRO 61 CO 0.55 -2.61 0.01 -1.59 0.04 0.00 0.00 177.00 173.41 2wx5 s LYS 62 N -4.57 1.14 -0.12 4.56 -2.85 0.54 -4.93 119.74 113.50 2wx5 s LYS 62 Ca 0.68 -1.56 -0.01 0.00 -1.00 0.00 0.00 55.97 54.08 2wx5 s LYS 62 Cb -0.24 -0.26 0.03 0.00 -2.06 0.00 0.00 37.83 35.30 2wx5 s LYS 62 CO 0.57 -0.15 -0.02 0.99 0.10 0.00 0.00 175.35 176.84 2wx5 s THR 63 N -3.67 0.71 -0.08 3.79 2.01 -1.26 -1.19 115.64 115.95 2wx5 s THR 63 Ca 0.25 -0.23 -0.19 0.00 0.31 0.00 0.00 61.69 61.83 2wx5 s THR 63 Cb 0.06 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 2wx5 s THR 63 CO 0.05 0.19 0.53 -0.36 -0.69 0.00 0.00 174.62 174.34 2wx5 s PHE 64 N 1.82 3.56 -0.64 4.92 0.08 0.11 -4.90 117.98 122.93 2wx5 s PHE 64 Ca 0.03 1.00 -0.26 0.00 0.12 0.00 0.00 56.93 57.83 2wx5 s PHE 64 Cb -0.14 -2.59 0.04 0.00 -0.57 0.00 0.00 43.02 39.77 2wx5 s PHE 64 CO -0.07 0.21 1.11 0.42 -0.10 0.00 0.00 175.22 176.79 2wx5 s ILE 65 N 0.42 4.08 0.58 0.64 1.01 -1.26 -0.39 121.20 126.28 2wx5 s ILE 65 Ca 0.29 0.33 -0.20 0.00 0.00 0.00 0.00 60.65 61.06 2wx5 s ILE 65 Cb -0.16 -4.73 -0.04 0.00 0.01 0.00 0.00 42.46 37.54 2wx5 s ILE 65 CO 0.13 -1.48 1.29 -0.76 0.00 0.00 0.00 174.94 174.13 2wx5 s LEU 66 N 4.77 3.74 0.65 2.97 1.43 -0.02 -4.99 118.68 127.24 2wx5 s LEU 66 Ca 0.33 2.61 -0.00 0.00 -1.03 0.00 0.00 54.13 56.04 2wx5 s LEU 66 Cb -0.11 -4.44 0.09 0.00 0.03 0.00 0.00 46.19 41.76 2wx5 s LEU 66 CO 0.17 -1.66 0.91 -2.16 0.23 0.00 0.00 176.35 173.84 2wx5 s PRO 67 N -3.12 2.04 -1.44 1.29 0.04 -1.26 -4.36 135.00 128.19 2wx5 s PRO 67 Ca 0.75 -0.95 -0.08 0.00 0.04 0.00 0.00 61.00 60.77 2wx5 s PRO 67 Cb -0.37 -2.39 0.04 0.00 0.04 0.00 0.00 34.50 31.83 2wx5 s PRO 67 CO 0.41 -1.15 0.65 0.72 0.04 0.00 0.00 177.00 177.67 2wx5 n HIS 68 N -2.64 -2.01 -2.76 0.56 8.25 -1.26 -2.38 115.22 112.98 2wx5 n HIS 68 Ca 0.12 0.58 -0.17 0.00 -0.26 0.00 0.00 57.72 57.99 2wx5 n HIS 68 Cb 0.60 -3.89 -0.00 0.00 1.12 0.00 0.00 29.99 27.83 2wx5 n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wx5 n GLY 69 N -1.45 -0.50 0.18 -1.41 0.00 -1.26 -4.84 105.19 95.91 2wx5 n GLY 69 Ca -0.05 0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.16 2wx5 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wx5 n ARG 70 N -3.23 1.10 0.00 1.61 1.74 -1.00 -5.01 116.66 111.86 2wx5 n ARG 70 Ca -0.12 -0.36 0.00 0.00 -0.77 0.00 0.00 57.85 56.61 2wx5 n ARG 70 Cb 0.60 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 2wx5 n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wx5 n GLY 71 N 1.14 0.47 3.22 -0.13 0.00 -1.26 -4.95 105.19 103.67 2wx5 n GLY 71 Ca 0.20 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 2wx5 n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wx5 s THR 72 N 0.00 0.07 -0.02 2.61 -4.23 -1.26 -0.84 115.64 111.97 2wx5 s THR 72 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 2wx5 s THR 72 Cb 0.00 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.34 2wx5 s THR 72 CO 0.00 0.00 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.85 2wx5 s LEU 73 N -3.19 1.58 -0.11 4.79 2.96 0.47 -4.86 118.68 120.33 2wx5 s LEU 73 Ca 0.39 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 54.29 2wx5 s LEU 73 Cb 0.07 -0.18 0.01 0.00 0.50 0.00 0.00 46.19 46.58 2wx5 s LEU 73 CO 0.13 -0.03 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.02 2wx5 s THR 74 N 0.49 1.90 -0.08 3.68 2.01 -1.26 0.05 115.64 122.43 2wx5 s THR 74 Ca -0.05 -0.91 -0.07 0.00 0.31 0.00 0.00 61.69 60.97 2wx5 s THR 74 Cb -0.08 -1.67 0.02 0.00 0.01 0.00 0.00 72.50 70.79 2wx5 s THR 74 CO -0.01 0.52 0.21 0.68 -0.69 0.00 0.00 174.62 175.33 2wx5 s VAL 75 N 0.58 -0.01 0.89 3.82 -7.23 -0.33 -3.92 120.40 114.20 2wx5 s VAL 75 Ca -0.14 0.03 -0.11 0.00 -1.81 0.00 0.00 61.98 59.95 2wx5 s VAL 75 Cb -0.17 -0.30 0.12 0.00 0.56 0.00 0.00 36.38 36.60 2wx5 s VAL 75 CO 0.04 0.01 1.10 -2.16 -0.31 0.00 0.00 175.10 173.78 2wx5 s PRO 76 N 0.31 1.32 0.27 4.82 0.04 -1.26 -0.34 135.00 140.15 2wx5 s PRO 76 Ca -0.02 1.09 -0.10 0.00 0.04 0.00 0.00 61.00 62.01 2wx5 s PRO 76 Cb -0.03 -1.80 0.04 0.00 0.04 0.00 0.00 34.50 32.75 2wx5 s PRO 76 CO -0.01 -2.28 0.53 0.41 0.04 0.00 0.00 177.00 175.70 2wx5 n GLY 77 N -0.69 1.35 3.63 0.56 0.00 -1.25 -4.75 105.19 104.02 2wx5 n GLY 77 Ca 0.08 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 2wx5 n GLY 77 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wx5 s PRO 78 N -2.08 3.60 -0.11 1.61 0.02 -1.26 -4.93 135.00 131.85 2wx5 s PRO 78 Ca 0.11 2.29 -0.19 0.00 0.02 0.00 0.00 61.00 63.23 2wx5 s PRO 78 Cb -0.03 -4.27 -0.04 0.00 0.02 0.00 0.00 34.50 30.17 2wx5 s PRO 78 CO 0.08 -1.58 0.50 -1.21 -0.33 0.00 0.00 177.00 174.47 2wx5 s GLU 79 N 5.47 4.34 -0.03 5.54 0.41 -1.26 -5.07 118.70 128.10 2wx5 s GLU 79 Ca 0.95 0.49 -0.26 0.00 -0.41 0.00 0.00 54.97 55.74 2wx5 s GLU 79 Cb -0.37 -3.43 0.06 0.00 -1.78 0.00 0.00 34.13 28.60 2wx5 s GLU 79 CO 0.38 0.17 0.56 -1.12 -0.49 0.00 0.00 175.26 174.76 2wx5 s SER 80 N 0.58 -0.51 0.21 -0.19 0.01 -1.26 -5.07 113.70 107.47 2wx5 s SER 80 Ca 0.27 0.50 0.01 0.00 1.31 0.00 0.00 55.95 58.05 2wx5 s SER 80 Cb -0.15 0.47 0.16 0.00 0.21 0.00 0.00 66.02 66.71 2wx5 s SER 80 CO 0.11 -0.57 1.51 -0.33 0.41 0.00 0.00 173.24 174.37 2wx5 h GLU 81 N 3.24 0.35 -4.13 12.44 4.39 -2.02 -3.48 114.58 125.36 2wx5 h GLU 81 Ca -0.28 -0.25 -0.34 0.00 0.34 0.00 0.00 59.36 58.84 2wx5 h GLU 81 Cb 1.15 0.04 0.07 0.00 -0.10 0.00 0.00 28.75 29.92 2wx5 h GLU 81 CO 0.39 0.87 -0.52 -0.25 -1.16 0.00 0.00 179.01 178.34 2wx5 n ASP 82 N -3.87 -5.45 -3.62 1.42 8.00 -1.26 -4.60 116.55 107.17 2wx5 n ASP 82 Ca -0.03 -0.30 -0.09 0.00 0.71 0.00 0.00 54.79 55.09 2wx5 n ASP 82 Cb 0.64 -4.22 -0.06 0.00 -0.02 0.00 0.00 41.12 37.46 2wx5 n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wx5 s ARG 83 N -5.67 0.46 0.33 -1.24 1.70 -1.26 -4.93 118.95 108.34 2wx5 s ARG 83 Ca 0.32 0.40 -0.29 0.00 -0.47 0.00 0.00 55.73 55.69 2wx5 s ARG 83 Cb -0.14 0.22 -0.11 0.00 -0.57 0.00 0.00 34.95 34.36 2wx5 s ARG 83 CO 0.39 -0.09 1.46 -1.25 -1.08 0.00 0.00 175.30 174.74 2wx5 s PRO 84 N -0.18 4.19 -0.37 3.89 0.04 -1.26 -4.98 135.00 136.32 2wx5 s PRO 84 Ca 0.03 2.45 -0.05 0.00 0.04 0.00 0.00 61.00 63.47 2wx5 s PRO 84 Cb -0.04 -3.02 0.07 0.00 0.04 0.00 0.00 34.50 31.55 2wx5 s PRO 84 CO -0.05 -0.46 0.16 0.42 0.04 0.00 0.00 177.00 177.10 2wx5 s ILE 85 N -0.72 3.59 -0.99 0.56 1.01 -1.26 -5.00 121.20 118.40 2wx5 s ILE 85 Ca 0.55 -1.54 -0.08 0.00 0.00 0.00 0.00 60.65 59.58 2wx5 s ILE 85 Cb -0.45 -3.21 -0.06 0.00 0.01 0.00 0.00 42.46 38.75 2wx5 s ILE 85 CO 0.55 -0.41 2.18 0.00 0.00 0.00 0.00 174.94 177.26 2wx5 n ALA 86 N 4.74 4.88 -2.33 9.38 0.00 -1.26 -4.86 120.51 131.06 2wx5 n ALA 86 Ca -0.09 -2.31 -0.14 0.00 0.00 0.00 0.00 53.44 50.90 2wx5 n ALA 86 Cb 0.43 -3.11 -0.10 0.00 0.00 0.00 0.00 19.45 16.67 2wx5 n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wx5 s LEU 87 N 0.25 2.48 0.01 0.00 1.43 -1.26 -1.54 118.68 120.05 2wx5 s LEU 87 Ca 0.44 -0.93 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 2wx5 s LEU 87 Cb 0.11 -0.32 -0.01 0.00 0.03 0.00 0.00 46.19 46.00 2wx5 s LEU 87 CO -0.02 -0.31 0.01 0.00 0.23 0.00 0.00 176.35 176.26 2wx5 s ALA 88 N -2.99 0.00 0.67 4.21 0.00 0.20 -4.80 121.76 119.05 2wx5 s ALA 88 Ca 0.12 -0.34 -0.17 0.00 0.00 0.00 0.00 51.96 51.57 2wx5 s ALA 88 Cb 0.01 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 2wx5 s ALA 88 CO 0.00 -0.13 0.91 0.54 0.00 0.00 0.00 175.76 177.09 2wx5 n ARG 89 N 1.97 0.65 -0.01 0.00 1.74 -1.26 -0.10 116.66 119.65 2wx5 n ARG 89 Ca -0.21 0.27 0.03 0.00 -0.77 0.00 0.00 57.85 57.17 2wx5 n ARG 89 Cb 0.56 -2.15 0.03 0.00 -1.02 0.00 0.00 32.46 29.88 2wx5 n ARG 89 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2wx5 n THR 90 N -2.15 0.18 -3.95 0.55 -2.24 -1.22 -4.65 114.28 100.80 2wx5 n THR 90 Ca 0.13 -0.59 -0.10 0.00 -2.27 0.00 0.00 64.05 61.23 2wx5 n THR 90 Cb 0.49 1.00 -0.07 0.00 -2.10 0.00 0.00 70.33 69.65 2wx5 n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wx5 s ALA 91 N -0.52 -0.03 -2.58 6.98 0.00 -1.26 -5.06 121.76 119.28 2wx5 s ALA 91 Ca 0.07 -0.86 0.23 0.00 0.00 0.00 0.00 51.96 51.40 2wx5 s ALA 91 Cb 0.04 0.87 0.41 0.00 0.00 0.00 0.00 23.12 24.45 2wx5 s ALA 91 CO 0.06 -0.66 1.39 1.33 0.00 0.00 0.00 175.76 177.89 2wx5 n VAL 92 N -0.23 0.38 -4.32 0.00 0.24 -1.26 -4.96 118.33 108.17 2wx5 n VAL 92 Ca -0.07 -0.67 -0.18 0.00 -2.04 0.00 0.00 64.34 61.39 2wx5 n VAL 92 Cb 0.63 1.04 -0.10 0.00 -1.47 0.00 0.00 33.84 33.95 2wx5 n VAL 92 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2wx5 s SER 93 N -1.61 1.35 0.41 -1.34 1.04 -1.26 -5.14 113.70 107.14 2wx5 s SER 93 Ca 0.36 -1.50 -0.24 0.00 0.48 0.00 0.00 55.95 55.06 2wx5 s SER 93 Cb 0.22 0.32 -0.12 0.00 0.10 0.00 0.00 66.02 66.54 2wx5 s SER 93 CO 0.31 -0.84 0.77 -0.62 0.98 0.00 0.00 173.24 173.84 2wx5 n GLU 94 N -0.53 0.91 -0.27 4.02 -0.58 -1.26 -4.23 120.64 118.71 2wx5 n GLU 94 Ca 0.01 0.33 0.00 0.00 -0.42 0.00 0.00 57.16 57.08 2wx5 n GLU 94 Cb 0.65 -1.74 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 2wx5 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wx5 n GLY 95 N 1.50 0.85 3.99 0.62 0.00 -1.26 -5.07 105.19 105.83 2wx5 n GLY 95 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 2wx5 n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wx5 s PHE 96 N -2.03 3.11 0.76 1.61 0.40 -1.26 -5.10 117.98 115.47 2wx5 s PHE 96 Ca 0.00 -0.22 -0.12 0.00 -0.60 0.00 0.00 56.93 55.99 2wx5 s PHE 96 Cb 0.00 -2.00 0.05 0.00 0.51 0.00 0.00 43.02 41.58 2wx5 s PHE 96 CO 0.00 -0.02 1.11 -1.25 0.70 0.00 0.00 175.22 175.76 2wx5 s PRO 97 N -4.18 2.22 -0.27 0.24 0.04 -1.26 -4.90 135.00 126.89 2wx5 s PRO 97 Ca 0.45 1.28 -0.02 0.00 0.04 0.00 0.00 61.00 62.75 2wx5 s PRO 97 Cb -0.10 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.60 2wx5 s PRO 97 CO 0.31 -1.68 -0.03 -1.01 0.04 0.00 0.00 177.00 174.63 2wx5 s HIS 98 N -2.73 3.16 0.30 0.56 3.76 -1.26 -3.41 115.29 115.68 2wx5 s HIS 98 Ca 0.63 -1.69 -0.29 0.00 -0.15 0.00 0.00 55.06 53.56 2wx5 s HIS 98 Cb -0.19 -2.08 -0.10 0.00 1.11 0.00 0.00 32.58 31.32 2wx5 s HIS 98 CO 0.53 -0.76 1.31 0.00 -0.85 0.00 0.00 174.74 174.97 2wx5 s ALA 99 N 1.29 3.51 0.15 -1.40 0.00 0.85 -4.63 121.76 121.54 2wx5 s ALA 99 Ca -0.02 1.23 -0.31 0.00 0.00 0.00 0.00 51.96 52.86 2wx5 s ALA 99 Cb -0.18 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.38 2wx5 s ALA 99 CO -0.03 -0.61 1.36 -1.25 0.00 0.00 0.00 175.76 175.24 2wx5 s PRO 100 N -1.42 4.34 0.32 0.00 0.04 -1.26 0.60 135.00 137.62 2wx5 s PRO 100 Ca 0.51 2.08 0.12 0.00 0.04 0.00 0.00 61.00 63.74 2wx5 s PRO 100 Cb -0.39 -3.22 0.51 0.00 0.04 0.00 0.00 34.50 31.44 2wx5 s PRO 100 CO 0.49 -0.37 1.70 1.79 0.04 0.00 0.00 177.00 180.66 2wx5 h THR 101 N 4.03 1.36 0.00 1.26 1.35 -1.59 -3.47 112.91 115.85 2wx5 h THR 101 Ca -0.43 -1.76 0.00 0.00 -0.55 0.00 0.00 66.41 63.67 2wx5 h THR 101 Cb 1.21 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 2wx5 h THR 101 CO 0.83 0.50 0.00 0.61 -0.25 0.00 0.00 175.52 177.21 2wx5 n GLY 102 N -0.05 3.56 3.56 5.82 0.00 -1.26 -5.08 105.19 111.74 2wx5 n GLY 102 Ca -0.01 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 2wx5 n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wx5 s ASP 103 N 1.00 6.21 0.32 1.61 -1.08 -1.26 -4.98 116.67 118.49 2wx5 s ASP 103 Ca 0.00 -0.09 0.11 0.00 -0.52 0.00 0.00 52.55 52.05 2wx5 s ASP 103 Cb 0.00 -2.21 0.55 0.00 -1.46 0.00 0.00 42.92 39.80 2wx5 s ASP 103 CO 0.00 -0.32 1.73 1.55 0.52 0.00 0.00 175.17 178.65 2wx5 h PRO 104 N 8.40 0.03 0.70 4.34 0.13 -1.94 0.24 132.00 143.91 2wx5 h PRO 104 Ca -0.30 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 2wx5 h PRO 104 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2wx5 h PRO 104 CO 0.69 0.50 -0.44 0.52 -0.23 0.00 0.00 178.00 179.03 2wx5 h MET 105 N 0.03 -1.04 -0.83 0.86 2.86 -1.93 0.81 114.93 115.68 2wx5 h MET 105 Ca -0.00 0.07 0.04 0.00 -2.06 0.00 0.00 59.70 57.75 2wx5 h MET 105 Cb 0.85 0.24 -0.05 0.00 0.06 0.00 0.00 31.60 32.69 2wx5 h MET 105 CO 0.06 -0.70 0.54 -0.22 1.06 0.00 0.00 176.91 177.66 2wx5 h LYS 106 N -1.08 0.97 0.00 1.72 3.64 -1.87 -2.93 116.57 117.01 2wx5 h LYS 106 Ca -0.09 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2wx5 h LYS 106 Cb 0.88 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2wx5 h LYS 106 CO 0.08 0.64 -0.59 -0.44 -2.27 0.00 0.00 179.45 176.88 2wx5 h ASP 107 N 1.00 0.00 -3.72 4.20 3.32 -0.40 -3.48 116.42 117.33 2wx5 h ASP 107 Ca 0.34 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 2wx5 h ASP 107 Cb 0.08 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.71 2wx5 h ASP 107 CO -0.11 0.09 -0.32 0.61 -1.72 0.00 0.00 179.24 177.80 2wx5 n GLY 108 N 1.32 0.12 3.23 2.75 0.00 0.23 -4.73 105.19 108.12 2wx5 n GLY 108 Ca 0.03 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 2wx5 n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wx5 s VAL 109 N -3.15 0.62 0.00 1.61 -7.23 -0.90 -4.10 120.40 107.25 2wx5 s VAL 109 Ca 0.10 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 2wx5 s VAL 109 Cb -0.01 -2.13 0.00 0.00 0.56 0.00 0.00 36.38 34.80 2wx5 s VAL 109 CO 0.28 -0.46 0.00 0.61 -0.31 0.00 0.00 175.10 175.22 2wx5 n GLY 110 N -0.23 0.36 0.00 2.32 0.00 -1.26 -1.69 105.19 104.69 2wx5 n GLY 110 Ca -0.06 -0.90 0.04 0.00 0.00 0.00 0.00 46.02 45.10 2wx5 n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wx5 n PRO 111 N 3.28 0.37 -0.46 1.61 -0.04 -1.26 -1.82 135.00 136.67 2wx5 n PRO 111 Ca 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 2wx5 n PRO 111 Cb 0.00 -1.32 0.32 0.00 -0.04 0.00 0.00 33.50 32.47 2wx5 n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wx5 n ALA 112 N -0.82 2.67 -1.74 0.55 0.00 -0.68 -2.11 120.51 118.38 2wx5 n ALA 112 Ca 0.06 -1.44 -0.37 0.00 0.00 0.00 0.00 53.44 51.68 2wx5 n ALA 112 Cb 0.03 -0.92 0.05 0.00 0.00 0.00 0.00 19.45 18.61 2wx5 n ALA 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2wx5 s SER 113 N -0.99 4.98 0.10 0.00 0.01 -0.76 -3.95 113.70 113.10 2wx5 s SER 113 Ca 0.48 2.63 0.05 0.00 1.31 0.00 0.00 55.95 60.42 2wx5 s SER 113 Cb 0.28 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.85 2wx5 s SER 113 CO 0.28 -1.75 -0.13 -1.66 0.41 0.00 0.00 173.24 170.38 2wx5 s TRP 114 N -1.39 1.27 0.26 2.43 1.48 -1.26 -4.35 118.94 117.38 2wx5 s TRP 114 Ca 0.77 -0.55 -0.03 0.00 -1.06 0.00 0.00 56.10 55.23 2wx5 s TRP 114 Cb -0.37 -0.68 -0.05 0.00 -1.16 0.00 0.00 33.47 31.21 2wx5 s TRP 114 CO 0.41 0.09 0.49 0.08 -4.06 0.00 0.00 176.95 173.97 2wx5 s VAL 115 N -1.97 5.09 -1.31 -0.66 1.01 -1.26 -5.01 120.40 116.29 2wx5 s VAL 115 Ca 0.05 -0.13 -0.14 0.00 0.00 0.00 0.00 61.98 61.76 2wx5 s VAL 115 Cb -0.06 -3.74 0.11 0.00 0.00 0.00 0.00 36.38 32.69 2wx5 s VAL 115 CO 0.02 -0.28 1.80 0.00 0.00 0.00 0.00 175.10 176.64 2wx5 n ALA 116 N -0.87 4.41 -1.91 5.51 0.00 -1.26 -4.83 120.51 121.55 2wx5 n ALA 116 Ca -0.03 -4.04 -0.29 0.00 0.00 0.00 0.00 53.44 49.08 2wx5 n ALA 116 Cb 0.54 -3.35 0.11 0.00 0.00 0.00 0.00 19.45 16.75 2wx5 n ALA 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wx5 s ARG 117 N 2.66 1.70 0.33 0.00 0.52 -1.26 -4.99 118.95 117.91 2wx5 s ARG 117 Ca 0.47 -0.01 -0.27 0.00 -0.52 0.00 0.00 55.73 55.40 2wx5 s ARG 117 Cb 0.06 -1.94 -0.13 0.00 0.52 0.00 0.00 34.95 33.46 2wx5 s ARG 117 CO 0.01 -1.75 1.10 -2.13 0.02 0.00 0.00 175.30 172.55 2wx5 n ARG 118 N -3.40 1.61 -1.12 3.54 0.63 -1.26 -4.19 116.66 112.47 2wx5 n ARG 118 Ca 0.09 0.57 -0.26 0.00 -0.92 0.00 0.00 57.85 57.33 2wx5 n ARG 118 Cb 0.61 -2.04 0.06 0.00 0.45 0.00 0.00 32.46 31.53 2wx5 n ARG 118 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2wx5 n ASP 119 N 0.93 7.11 -4.55 6.15 2.03 -1.26 -1.33 116.55 125.63 2wx5 n ASP 119 Ca 0.08 -3.44 -0.25 0.00 0.52 0.00 0.00 54.79 51.70 2wx5 n ASP 119 Cb 0.35 -1.02 -0.10 0.00 -0.72 0.00 0.00 41.12 39.63 2wx5 n ASP 119 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2wx5 s LEU 120 N -2.87 2.78 0.39 -2.67 1.43 -1.26 -4.92 118.68 111.56 2wx5 s LEU 120 Ca 0.49 -1.07 -0.02 0.00 -1.03 0.00 0.00 54.13 52.50 2wx5 s LEU 120 Cb 0.38 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 45.41 2wx5 s LEU 120 CO -0.01 -0.13 0.63 -2.16 0.23 0.00 0.00 176.35 174.92 2wx5 s PRO 121 N -3.61 3.52 0.38 1.29 0.04 -1.26 -0.62 135.00 134.74 2wx5 s PRO 121 Ca 0.32 -0.11 -0.26 0.00 0.04 0.00 0.00 61.00 60.98 2wx5 s PRO 121 Cb -0.01 -2.56 -0.09 0.00 0.04 0.00 0.00 34.50 31.89 2wx5 s PRO 121 CO 0.17 0.03 1.23 -2.00 0.04 0.00 0.00 177.00 176.46 2wx5 s GLU 122 N -4.41 4.14 0.01 4.56 2.12 -1.26 -4.88 118.70 118.98 2wx5 s GLU 122 Ca 0.43 2.00 0.02 0.00 0.36 0.00 0.00 54.97 57.77 2wx5 s GLU 122 Cb -0.10 -2.82 -0.04 0.00 0.26 0.00 0.00 34.13 31.44 2wx5 s GLU 122 CO 0.39 -0.30 0.02 -0.51 -0.54 0.00 0.00 175.26 174.32 2wx5 s LEU 123 N -2.25 3.58 0.00 2.70 1.43 -1.26 0.04 118.68 122.92 2wx5 s LEU 123 Ca 0.54 -0.00 -0.11 0.00 -1.03 0.00 0.00 54.13 53.53 2wx5 s LEU 123 Cb -0.35 -2.10 0.16 0.00 0.03 0.00 0.00 46.19 43.94 2wx5 s LEU 123 CO 0.44 0.26 0.66 -0.90 0.23 0.00 0.00 176.35 177.05 2wx5 n ASP 124 N 1.23 -1.16 0.10 2.29 5.68 0.29 -4.73 116.55 120.24 2wx5 n ASP 124 Ca -0.14 -0.99 0.11 0.00 -0.50 0.00 0.00 54.79 53.28 2wx5 n ASP 124 Cb 0.53 -0.58 0.45 0.00 -1.14 0.00 0.00 41.12 40.38 2wx5 n ASP 124 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wx5 n GLY 125 N -1.19 -1.32 0.16 6.12 0.00 -1.26 -1.98 105.19 105.72 2wx5 n GLY 125 Ca 0.09 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.26 2wx5 n GLY 125 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wx5 n HIS 126 N -2.09 0.00 -0.19 1.61 8.25 -1.26 -4.95 115.22 116.60 2wx5 n HIS 126 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2wx5 n HIS 126 Cb 0.26 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.28 2wx5 n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wx5 n GLY 127 N 1.45 0.73 3.90 -1.41 0.00 -0.84 -5.07 105.19 103.94 2wx5 n GLY 127 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 2wx5 n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wx5 s HIS 128 N -2.22 3.56 0.32 1.61 3.76 -1.26 -4.81 115.29 116.25 2wx5 s HIS 128 Ca 0.00 0.88 -0.28 0.00 -0.15 0.00 0.00 55.06 55.51 2wx5 s HIS 128 Cb 0.00 -2.36 -0.13 0.00 1.11 0.00 0.00 32.58 31.20 2wx5 s HIS 128 CO 0.00 -0.30 1.23 0.09 -0.85 0.00 0.00 174.74 174.91 2wx5 n ASN 129 N -2.21 2.43 -0.01 1.40 3.02 -1.26 -0.55 115.26 118.08 2wx5 n ASN 129 Ca 0.01 1.20 -0.17 0.00 -0.03 0.00 0.00 54.58 55.59 2wx5 n ASN 129 Cb 0.55 -1.44 -0.09 0.00 -0.61 0.00 0.00 39.78 38.19 2wx5 n ASN 129 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2wx5 h LYS 130 N 2.52 0.53 -5.86 3.52 3.64 -0.68 -3.41 116.57 116.84 2wx5 h LYS 130 Ca -0.45 -0.47 -0.68 0.00 -1.27 0.00 0.00 60.65 57.78 2wx5 h LYS 130 Cb 1.30 0.11 -0.26 0.00 -0.41 0.00 0.00 32.23 32.97 2wx5 h LYS 130 CO 0.63 1.11 -0.78 0.42 -2.27 0.00 0.00 179.45 178.55 2wx5 s ILE 131 N -3.54 2.92 -0.11 2.00 1.01 -1.26 -1.56 121.20 120.66 2wx5 s ILE 131 Ca -0.12 -0.75 -0.17 0.00 0.00 0.00 0.00 60.65 59.61 2wx5 s ILE 131 Cb 0.05 -2.17 0.04 0.00 0.01 0.00 0.00 42.46 40.40 2wx5 s ILE 131 CO 0.84 0.56 0.44 -0.75 0.00 0.00 0.00 174.94 176.03 2wx5 s LYS 132 N -0.20 0.63 0.65 2.79 2.20 -0.60 -4.61 119.74 120.59 2wx5 s LYS 132 Ca -0.00 0.34 -0.16 0.00 -0.36 0.00 0.00 55.97 55.79 2wx5 s LYS 132 Cb -0.13 0.30 -0.01 0.00 -1.51 0.00 0.00 37.83 36.48 2wx5 s LYS 132 CO 0.03 -0.13 1.15 -1.25 -0.36 0.00 0.00 175.35 174.79 2wx5 s PRO 133 N -0.39 2.76 0.16 4.03 0.05 -1.26 -0.59 135.00 139.76 2wx5 s PRO 133 Ca -0.05 1.56 -0.12 0.00 0.05 0.00 0.00 61.00 62.44 2wx5 s PRO 133 Cb -0.03 -1.93 0.05 0.00 0.05 0.00 0.00 34.50 32.64 2wx5 s PRO 133 CO 0.03 -1.31 1.67 1.98 0.05 0.00 0.00 177.00 179.42 2wx5 h MET 134 N 0.25 0.90 -0.95 4.56 4.05 -1.47 -2.23 114.93 120.04 2wx5 h MET 134 Ca -0.48 -0.22 0.28 0.00 -0.28 0.00 0.00 59.70 59.00 2wx5 h MET 134 Cb 1.27 -0.12 -0.17 0.00 -0.80 0.00 0.00 31.60 31.78 2wx5 h MET 134 CO 0.54 0.84 0.18 1.57 0.23 0.00 0.00 176.91 180.27 2wx5 h LYS 135 N 0.81 0.08 -0.32 0.39 2.10 -1.91 0.80 116.57 118.51 2wx5 h LYS 135 Ca 0.18 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 2wx5 h LYS 135 Cb 0.35 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 2wx5 h LYS 135 CO 0.00 0.05 0.00 0.00 -2.00 0.00 0.00 179.45 177.50 2wx5 n ALA 136 N -2.85 2.46 -3.25 0.07 0.00 -0.86 -4.79 120.51 111.30 2wx5 n ALA 136 Ca 0.25 -0.73 -0.40 0.00 0.00 0.00 0.00 53.44 52.56 2wx5 n ALA 136 Cb 0.81 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.16 2wx5 n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wx5 s ALA 137 N -1.58 3.27 -0.54 0.00 0.00 0.28 -4.97 121.76 118.21 2wx5 s ALA 137 Ca 0.33 -2.09 -0.33 0.00 0.00 0.00 0.00 51.96 49.87 2wx5 s ALA 137 Cb 0.18 -2.61 -0.13 0.00 0.00 0.00 0.00 23.12 20.56 2wx5 s ALA 137 CO 0.26 -1.61 2.35 0.00 0.00 0.00 0.00 175.76 176.76 2wx5 n ALA 138 N 4.91 0.78 0.00 0.00 0.00 -1.26 -2.22 120.51 122.72 2wx5 n ALA 138 Ca -0.10 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2wx5 n ALA 138 Cb 0.43 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.29 2wx5 n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wx5 n GLY 139 N 6.50 1.32 3.73 0.00 0.00 -1.26 -5.04 105.19 110.43 2wx5 n GLY 139 Ca 0.47 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.08 2wx5 n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wx5 s PHE 140 N -2.30 3.59 0.05 1.61 0.40 -0.94 -5.04 117.98 115.34 2wx5 s PHE 140 Ca 0.00 1.57 -0.18 0.00 -0.60 0.00 0.00 56.93 57.72 2wx5 s PHE 140 Cb 0.00 -3.27 0.04 0.00 0.51 0.00 0.00 43.02 40.30 2wx5 s PHE 140 CO 0.00 -0.61 0.42 -3.38 0.70 0.00 0.00 175.22 172.34 2wx5 s HIS 141 N 0.11 -0.27 -0.01 0.36 -3.43 -1.26 -4.91 115.29 105.88 2wx5 s HIS 141 Ca 0.51 0.22 -0.32 0.00 -0.80 0.00 0.00 55.06 54.68 2wx5 s HIS 141 Cb -0.28 0.23 -0.10 0.00 -1.43 0.00 0.00 32.58 30.99 2wx5 s HIS 141 CO 0.33 -0.58 1.94 0.28 -2.00 0.00 0.00 174.74 174.71 2wx5 n VAL 142 N 0.46 0.70 1.00 -5.38 0.31 -1.26 -4.91 118.33 109.26 2wx5 n VAL 142 Ca -0.18 -0.13 0.11 0.00 -0.01 0.00 0.00 64.34 64.13 2wx5 n VAL 142 Cb 0.60 -2.15 0.03 0.00 -0.91 0.00 0.00 33.84 31.41 2wx5 n VAL 142 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2wx5 n SER 143 N 7.19 2.33 -3.62 4.52 3.41 -1.26 -5.04 113.62 121.16 2wx5 n SER 143 Ca 0.21 -1.67 -0.04 0.00 -0.26 0.00 0.00 58.87 57.12 2wx5 n SER 143 Cb 0.36 0.33 -0.02 0.00 -0.26 0.00 0.00 64.21 64.62 2wx5 n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wx5 s ALA 144 N -2.33 -2.11 0.09 7.33 0.00 -1.26 -5.16 121.76 118.32 2wx5 s ALA 144 Ca 0.21 1.74 0.00 0.00 0.00 0.00 0.00 51.96 53.91 2wx5 s ALA 144 Cb 0.19 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.86 2wx5 s ALA 144 CO 0.49 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.15 2wx5 n GLY 145 N 0.07 -2.24 3.66 0.00 0.00 -1.26 -4.73 105.19 100.69 2wx5 n GLY 145 Ca 0.01 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 2wx5 n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wx5 s LYS 146 N -2.48 4.15 -0.18 1.61 2.47 -1.26 -4.94 119.74 119.11 2wx5 s LYS 146 Ca 0.00 2.48 -0.29 0.00 -1.56 0.00 0.00 55.97 56.60 2wx5 s LYS 146 Cb 0.00 -4.04 -0.03 0.00 -1.46 0.00 0.00 37.83 32.30 2wx5 s LYS 146 CO 0.00 -0.91 1.51 1.21 0.16 0.00 0.00 175.35 177.32 2wx5 s ASN 147 N 3.90 6.60 0.35 1.43 3.84 -1.26 -4.94 114.94 124.86 2wx5 s ASN 147 Ca 0.83 1.72 0.19 0.00 0.21 0.00 0.00 52.86 55.81 2wx5 s ASN 147 Cb -0.40 -2.53 0.26 0.00 -0.55 0.00 0.00 41.25 38.03 2wx5 s ASN 147 CO 0.37 -1.06 1.54 1.55 -2.79 0.00 0.00 177.10 176.72 2wx5 h PRO 148 N 9.75 0.00 -6.16 0.43 0.13 -1.97 -3.46 132.00 130.72 2wx5 h PRO 148 Ca -0.32 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.17 2wx5 h PRO 148 Cb 1.14 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.28 2wx5 h PRO 148 CO 0.99 0.31 1.22 -0.89 -0.23 0.00 0.00 178.00 179.40 2wx5 n ILE 149 N -3.20 0.45 0.00 -3.56 5.41 -1.26 -0.19 119.36 117.01 2wx5 n ILE 149 Ca 0.02 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.59 2wx5 n ILE 149 Cb 0.63 -1.89 0.00 0.00 -0.71 0.00 0.00 39.64 37.68 2wx5 n ILE 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wx5 n GLY 150 N 5.08 0.93 3.76 7.39 0.00 -0.65 -5.00 105.19 116.69 2wx5 n GLY 150 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 2wx5 n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wx5 s LEU 151 N 0.00 4.48 0.65 0.99 1.43 0.74 -4.66 118.68 122.32 2wx5 s LEU 151 Ca 0.00 2.41 -0.17 0.00 -1.03 0.00 0.00 54.13 55.34 2wx5 s LEU 151 Cb 0.00 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.59 2wx5 s LEU 151 CO 0.00 -0.35 1.20 -2.16 0.23 0.00 0.00 176.35 175.27 2wx5 s PRO 152 N -1.20 2.64 -0.16 1.29 0.04 -1.26 -0.41 135.00 135.94 2wx5 s PRO 152 Ca 0.49 1.75 -0.04 0.00 0.04 0.00 0.00 61.00 63.24 2wx5 s PRO 152 Cb -0.35 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 2wx5 s PRO 152 CO 0.44 -1.44 -0.04 0.08 0.04 0.00 0.00 177.00 176.07 2wx5 s VAL 153 N -1.83 3.84 -0.11 -0.36 1.01 0.78 -1.87 120.40 121.87 2wx5 s VAL 153 Ca 0.75 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.37 2wx5 s VAL 153 Cb -0.29 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 2wx5 s VAL 153 CO 0.39 0.49 -0.15 -0.60 0.00 0.00 0.00 175.10 175.23 2wx5 s ARG 154 N 0.45 3.14 0.72 2.72 3.52 -0.27 0.14 118.95 129.37 2wx5 s ARG 154 Ca -0.04 -0.71 -0.01 0.00 -0.13 0.00 0.00 55.73 54.84 2wx5 s ARG 154 Cb -0.14 -2.53 0.13 0.00 -1.56 0.00 0.00 34.95 30.84 2wx5 s ARG 154 CO 0.03 0.31 1.00 0.20 -0.81 0.00 0.00 175.30 176.03 2wx5 s GLY 155 N 0.09 1.76 0.43 8.12 0.00 -0.72 -0.39 107.32 116.62 2wx5 s GLY 155 Ca -0.06 -1.68 0.30 0.00 0.00 0.00 0.00 44.72 43.27 2wx5 s GLY 155 CO 0.05 -1.12 1.90 0.00 0.00 0.00 0.00 173.10 173.93 2wx5 n ASP 157 N -2.66 0.07 -1.31 0.00 5.75 -1.26 -4.83 116.55 112.30 2wx5 n ASP 157 Ca 0.00 -1.38 -0.12 0.00 -0.01 0.00 0.00 54.79 53.28 2wx5 n ASP 157 Cb 0.20 -0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.27 2wx5 n ASP 157 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2wx5 n LEU 158 N -0.77 -1.46 -4.50 -2.12 4.77 0.16 -5.00 117.00 108.08 2wx5 n LEU 158 Ca 0.15 0.03 -0.30 0.00 -0.03 0.00 0.00 56.01 55.87 2wx5 n LEU 158 Cb 0.08 -1.90 -0.11 0.00 -2.33 0.00 0.00 43.42 39.16 2wx5 n LEU 158 CO 0.11 -0.20 -0.48 -1.61 -1.33 0.00 0.00 177.39 173.89 2wx5 s GLU 159 N -4.38 1.92 -0.39 3.23 0.41 -1.26 -4.94 118.70 113.29 2wx5 s GLU 159 Ca 0.00 -1.10 -0.29 0.00 -0.41 0.00 0.00 54.97 53.17 2wx5 s GLU 159 Cb 0.00 -2.17 0.01 0.00 -1.78 0.00 0.00 34.13 30.19 2wx5 s GLU 159 CO 0.00 0.50 1.30 0.42 -0.49 0.00 0.00 175.26 176.99 2wx5 s ILE 160 N -1.11 4.07 0.11 -1.63 -1.09 -1.26 -1.76 121.20 118.53 2wx5 s ILE 160 Ca 0.18 1.14 -0.00 0.00 -2.23 0.00 0.00 60.65 59.74 2wx5 s ILE 160 Cb -0.11 -4.30 -0.23 0.00 -1.58 0.00 0.00 42.46 36.24 2wx5 s ILE 160 CO 0.10 -0.73 1.24 0.00 -1.23 0.00 0.00 174.94 174.32 2wx5 h ALA 161 N 9.82 0.27 0.00 9.38 0.00 -0.63 -3.49 119.26 134.61 2wx5 h ALA 161 Ca -0.26 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 53.81 2wx5 h ALA 161 Cb 1.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2wx5 h ALA 161 CO 1.08 1.01 0.00 0.41 0.00 0.00 0.00 179.25 181.75 2wx5 n GLY 162 N 1.30 -0.67 3.04 0.00 0.00 -1.21 -4.18 105.19 103.47 2wx5 n GLY 162 Ca -0.05 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 2wx5 n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wx5 s LYS 163 N -0.17 0.36 0.19 1.61 -2.85 -0.81 -0.15 119.74 117.91 2wx5 s LYS 163 Ca 0.00 -0.40 -0.30 0.00 -1.00 0.00 0.00 55.97 54.28 2wx5 s LYS 163 Cb 0.00 0.14 -0.08 0.00 -2.06 0.00 0.00 37.83 35.84 2wx5 s LYS 163 CO 0.00 -0.07 1.03 0.08 0.10 0.00 0.00 175.35 176.49 2wx5 s VAL 164 N -1.19 4.01 0.00 1.79 1.01 0.45 -0.44 120.40 126.04 2wx5 s VAL 164 Ca -0.13 1.82 0.00 0.00 0.00 0.00 0.00 61.98 63.67 2wx5 s VAL 164 Cb -0.07 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.15 2wx5 s VAL 164 CO 0.00 0.35 0.36 1.33 0.00 0.00 0.00 175.10 177.14 2wx5 n VAL 165 N 2.11 0.08 0.00 2.92 0.24 -0.04 -1.64 118.33 122.00 2wx5 n VAL 165 Ca 0.01 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 2wx5 n VAL 165 Cb 0.47 1.32 0.00 0.00 -1.47 0.00 0.00 33.84 34.16 2wx5 n VAL 165 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2wx5 n ASP 166 N -0.04 0.00 -4.23 -1.34 2.03 -1.16 -4.97 116.55 106.84 2wx5 n ASP 166 Ca 0.00 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.99 2wx5 n ASP 166 Cb 0.14 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.37 2wx5 n ASP 166 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2wx5 s ILE 167 N -2.00 2.14 -0.15 5.18 1.01 -1.26 -0.46 121.20 125.66 2wx5 s ILE 167 Ca 0.00 -0.99 -0.14 0.00 0.00 0.00 0.00 60.65 59.52 2wx5 s ILE 167 Cb 0.00 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 2wx5 s ILE 167 CO 0.00 0.56 0.32 0.26 0.00 0.00 0.00 174.94 176.07 2wx5 s TRP 168 N 0.40 3.49 0.27 3.97 0.52 0.41 -1.08 118.94 126.91 2wx5 s TRP 168 Ca -0.17 0.65 0.06 0.00 0.02 0.00 0.00 56.10 56.66 2wx5 s TRP 168 Cb -0.18 -2.35 -0.06 0.00 -1.15 0.00 0.00 33.47 29.73 2wx5 s TRP 168 CO 0.07 0.27 -0.05 0.14 0.02 0.00 0.00 176.95 177.40 2wx5 s VAL 169 N 0.36 1.51 -0.31 4.03 -7.23 0.24 -1.32 120.40 117.68 2wx5 s VAL 169 Ca 0.18 -2.10 -0.06 0.00 -1.81 0.00 0.00 61.98 58.19 2wx5 s VAL 169 Cb -0.13 -2.43 0.03 0.00 0.56 0.00 0.00 36.38 34.41 2wx5 s VAL 169 CO 0.05 -0.30 0.08 -0.62 -0.31 0.00 0.00 175.10 173.99 2wx5 s ASP 170 N -3.41 5.15 0.05 4.85 -1.08 -0.61 -1.56 116.67 120.05 2wx5 s ASP 170 Ca 0.29 -0.98 -0.34 0.00 -0.52 0.00 0.00 52.55 51.00 2wx5 s ASP 170 Cb 0.04 -1.85 -0.19 0.00 -1.46 0.00 0.00 42.92 39.46 2wx5 s ASP 170 CO 0.11 -0.26 1.43 0.40 0.52 0.00 0.00 175.17 177.37 2wx5 h ILE 171 N 6.08 0.00 0.00 4.11 5.03 -1.60 0.29 117.51 131.41 2wx5 h ILE 171 Ca -0.27 -0.09 0.00 0.00 -0.12 0.00 0.00 64.86 64.39 2wx5 h ILE 171 Cb 1.10 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.89 2wx5 h ILE 171 CO 0.60 0.00 0.20 1.55 -0.68 0.00 0.00 178.15 179.82 2wx5 h PRO 172 N -1.32 0.00 0.00 2.37 0.13 -1.93 -2.77 132.00 128.48 2wx5 h PRO 172 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2wx5 h PRO 172 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2wx5 h PRO 172 CO 0.21 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.37 2wx5 n GLU 173 N -2.78 0.69 -3.87 0.86 1.02 -1.14 -5.03 120.64 110.39 2wx5 n GLU 173 Ca -0.02 -0.69 -0.39 0.00 -0.02 0.00 0.00 57.16 56.04 2wx5 n GLU 173 Cb 0.25 -0.74 0.03 0.00 -0.02 0.00 0.00 31.44 30.96 2wx5 n GLU 173 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2wx5 n GLN 174 N -0.15 -0.75 -3.87 3.49 6.02 0.99 -4.96 117.38 118.17 2wx5 n GLN 174 Ca 0.00 0.28 -0.11 0.00 -0.01 0.00 0.00 57.00 57.16 2wx5 n GLN 174 Cb 0.28 -3.32 -0.11 0.00 1.02 0.00 0.00 30.24 28.11 2wx5 n GLN 174 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wx5 s MET 175 N -6.64 0.37 0.23 -1.09 0.23 -1.22 -4.97 119.30 106.21 2wx5 s MET 175 Ca 0.48 -0.24 -0.30 0.00 -1.03 0.00 0.00 55.69 54.60 2wx5 s MET 175 Cb -0.22 0.16 -0.10 0.00 -1.53 0.00 0.00 34.83 33.14 2wx5 s MET 175 CO 0.92 -0.08 1.46 0.00 -2.03 0.00 0.00 175.02 175.29 2wx5 s ALA 176 N -0.94 3.65 -0.11 3.16 0.00 -1.26 -1.57 121.76 124.69 2wx5 s ALA 176 Ca -0.10 1.34 -0.02 0.00 0.00 0.00 0.00 51.96 53.17 2wx5 s ALA 176 Cb -0.06 -3.57 -0.06 0.00 0.00 0.00 0.00 23.12 19.44 2wx5 s ALA 176 CO 0.01 -0.76 -0.12 0.54 0.00 0.00 0.00 175.76 175.44 2wx5 n ARG 177 N 2.61 0.24 -4.31 0.00 1.74 -0.44 -4.84 116.66 111.66 2wx5 n ARG 177 Ca 0.08 0.08 -0.16 0.00 -0.77 0.00 0.00 57.85 57.08 2wx5 n ARG 177 Cb 0.40 -1.04 -0.10 0.00 -1.02 0.00 0.00 32.46 30.69 2wx5 n ARG 177 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2wx5 s PHE 178 N -2.20 1.50 -0.19 -1.55 0.40 -0.83 -0.72 117.98 114.38 2wx5 s PHE 178 Ca -0.15 -0.98 -0.08 0.00 -0.60 0.00 0.00 56.93 55.12 2wx5 s PHE 178 Cb 0.05 -0.87 -0.04 0.00 0.51 0.00 0.00 43.02 42.66 2wx5 s PHE 178 CO 0.21 -0.12 0.09 -0.51 0.70 0.00 0.00 175.22 175.59 2wx5 s LEU 179 N -3.28 3.93 -0.08 -0.37 1.43 -0.41 -0.45 118.68 119.44 2wx5 s LEU 179 Ca 0.29 0.11 -0.21 0.00 -1.03 0.00 0.00 54.13 53.30 2wx5 s LEU 179 Cb 0.06 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2wx5 s LEU 179 CO 0.09 0.16 0.59 -0.70 0.23 0.00 0.00 176.35 176.72 2wx5 s GLU 180 N 0.45 4.38 -0.00 1.70 2.12 0.39 -2.01 118.70 125.74 2wx5 s GLU 180 Ca 0.05 0.67 0.07 0.00 0.36 0.00 0.00 54.97 56.12 2wx5 s GLU 180 Cb -0.12 -3.43 -0.02 0.00 0.26 0.00 0.00 34.13 30.82 2wx5 s GLU 180 CO 0.00 0.13 -0.21 0.08 -0.54 0.00 0.00 175.26 174.72 2wx5 s VAL 181 N 0.64 1.69 -0.23 3.70 1.01 0.32 -0.86 120.40 126.66 2wx5 s VAL 181 Ca 0.32 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 2wx5 s VAL 181 Cb -0.17 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 2wx5 s VAL 181 CO 0.14 0.41 0.03 -0.70 0.00 0.00 0.00 175.10 174.99 2wx5 s GLU 182 N -0.67 3.58 0.84 2.72 2.12 0.42 -0.96 118.70 126.75 2wx5 s GLU 182 Ca 0.08 -0.52 -0.11 0.00 0.36 0.00 0.00 54.97 54.78 2wx5 s GLU 182 Cb -0.08 -3.21 0.13 0.00 0.26 0.00 0.00 34.13 31.23 2wx5 s GLU 182 CO -0.00 -0.16 1.18 -0.51 -0.54 0.00 0.00 175.26 175.23 2wx5 s LEU 183 N 1.48 2.72 0.29 2.70 1.43 -0.40 -1.92 118.68 124.98 2wx5 s LEU 183 Ca 0.06 0.35 0.03 0.00 -1.03 0.00 0.00 54.13 53.54 2wx5 s LEU 183 Cb -0.15 -2.67 0.71 0.00 0.03 0.00 0.00 46.19 44.12 2wx5 s LEU 183 CO 0.02 -2.18 1.70 0.50 0.23 0.00 0.00 176.35 176.61 2wx5 h LYS 184 N -1.14 0.39 -0.00 1.70 3.64 -1.89 -0.92 116.57 118.36 2wx5 h LYS 184 Ca -0.44 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2wx5 h LYS 184 Cb 1.28 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2wx5 h LYS 184 CO 0.50 0.26 -0.03 -0.40 -2.27 0.00 0.00 179.45 177.50 2wx5 n ASP 185 N -5.05 0.05 0.00 4.20 3.85 -1.26 -4.93 116.55 113.41 2wx5 n ASP 185 Ca 0.22 0.13 0.00 0.00 -0.71 0.00 0.00 54.79 54.43 2wx5 n ASP 185 Cb 0.64 -0.35 0.00 0.00 -1.35 0.00 0.00 41.12 40.06 2wx5 n ASP 185 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2wx5 n GLY 186 N 1.40 0.79 3.79 6.12 0.00 -0.35 -5.07 105.19 111.87 2wx5 n GLY 186 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2wx5 n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wx5 s SER 187 N -1.87 4.12 0.38 1.61 1.04 -1.26 -4.83 113.70 112.88 2wx5 s SER 187 Ca 0.00 1.22 0.07 0.00 0.48 0.00 0.00 55.95 57.72 2wx5 s SER 187 Cb 0.00 -1.90 -0.07 0.00 0.10 0.00 0.00 66.02 64.14 2wx5 s SER 187 CO 0.00 -2.20 -0.02 0.42 0.98 0.00 0.00 173.24 172.43 2wx5 s THR 188 N -3.17 2.00 0.01 2.02 -4.23 -1.26 -1.28 115.64 109.73 2wx5 s THR 188 Ca 0.62 -2.06 -0.02 0.00 -1.18 0.00 0.00 61.69 59.05 2wx5 s THR 188 Cb -0.15 -2.88 -0.01 0.00 1.34 0.00 0.00 72.50 70.80 2wx5 s THR 188 CO 0.54 -0.06 0.02 -0.13 -0.54 0.00 0.00 174.62 174.44 2wx5 s ARG 189 N -3.70 0.31 0.12 3.99 1.81 -0.13 -4.88 118.95 116.47 2wx5 s ARG 189 Ca 0.34 -0.47 -0.28 0.00 -1.72 0.00 0.00 55.73 53.60 2wx5 s ARG 189 Cb 0.08 0.12 -0.06 0.00 -0.45 0.00 0.00 34.95 34.63 2wx5 s ARG 189 CO 0.17 -0.06 0.89 -0.51 -0.68 0.00 0.00 175.30 175.11 2wx5 s LEU 190 N -1.23 4.52 -0.10 2.53 1.43 -1.26 -0.52 118.68 124.05 2wx5 s LEU 190 Ca -0.13 1.71 0.03 0.00 -1.03 0.00 0.00 54.13 54.71 2wx5 s LEU 190 Cb -0.08 -3.47 0.01 0.00 0.03 0.00 0.00 46.19 42.68 2wx5 s LEU 190 CO -0.00 0.03 -0.20 -0.76 0.23 0.00 0.00 176.35 175.65 2wx5 s LEU 191 N -0.35 1.93 0.37 1.79 1.43 -0.85 -4.99 118.68 118.01 2wx5 s LEU 191 Ca 0.42 -0.49 -0.28 0.00 -1.03 0.00 0.00 54.13 52.75 2wx5 s LEU 191 Cb -0.23 -1.24 -0.11 0.00 0.03 0.00 0.00 46.19 44.64 2wx5 s LEU 191 CO 0.28 0.09 1.50 -2.65 0.23 0.00 0.00 176.35 175.80 2wx5 n PRO 192 N 3.82 2.69 -0.10 1.29 -0.02 -1.26 -1.29 135.00 140.13 2wx5 n PRO 192 Ca -0.20 0.94 -0.09 0.00 -2.02 0.00 0.00 63.50 62.13 2wx5 n PRO 192 Cb 0.52 -2.68 -0.02 0.00 -0.02 0.00 0.00 33.50 31.30 2wx5 n PRO 192 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 2wx5 h MET 193 N 3.15 0.45 0.00 -0.52 2.86 -1.25 -2.47 114.93 117.14 2wx5 h MET 193 Ca -0.50 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.08 2wx5 h MET 193 Cb 1.24 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.82 2wx5 h MET 193 CO 0.66 0.40 0.00 1.04 1.06 0.00 0.00 176.91 180.06 2wx5 n GLN 194 N -4.78 0.00 0.00 1.72 3.00 -1.26 -2.11 117.38 113.94 2wx5 n GLN 194 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2wx5 n GLN 194 Cb 0.09 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.83 2wx5 n GLN 194 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 2wx5 n MET 195 N -0.94 0.79 -4.31 -1.09 1.56 -0.93 -5.03 117.12 107.17 2wx5 n MET 195 Ca 0.00 -0.73 -0.21 0.00 -0.27 0.00 0.00 57.70 56.49 2wx5 n MET 195 Cb 0.00 -0.67 -0.11 0.00 2.15 0.00 0.00 33.22 34.59 2wx5 n MET 195 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 2wx5 s VAL 196 N -0.28 1.72 -0.22 1.12 -7.23 -0.90 -4.56 120.40 110.06 2wx5 s VAL 196 Ca 0.00 -1.83 -0.03 0.00 -1.81 0.00 0.00 61.98 58.30 2wx5 s VAL 196 Cb 0.00 -1.75 -0.00 0.00 0.56 0.00 0.00 36.38 35.18 2wx5 s VAL 196 CO 0.00 -0.30 -0.06 -0.75 -0.31 0.00 0.00 175.10 173.68 2wx5 s LYS 197 N -2.66 3.32 -0.21 4.82 2.20 0.34 -4.95 119.74 122.59 2wx5 s LYS 197 Ca 0.13 -0.66 -0.26 0.00 -0.36 0.00 0.00 55.97 54.82 2wx5 s LYS 197 Cb -0.06 -2.98 -0.00 0.00 -1.51 0.00 0.00 37.83 33.28 2wx5 s LYS 197 CO 0.06 -0.21 0.90 0.08 -0.36 0.00 0.00 175.35 175.82 2wx5 s VAL 198 N 1.46 4.80 0.50 4.02 1.01 -1.26 -0.27 120.40 130.65 2wx5 s VAL 198 Ca 0.05 1.75 0.04 0.00 0.00 0.00 0.00 61.98 63.82 2wx5 s VAL 198 Cb -0.14 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.04 2wx5 s VAL 198 CO -0.04 -0.08 0.20 -1.10 0.00 0.00 0.00 175.10 174.08 2wx5 s GLN 199 N 2.73 2.22 0.40 2.72 -0.21 0.60 -4.98 119.66 123.13 2wx5 s GLN 199 Ca 0.39 -2.11 0.14 0.00 0.02 0.00 0.00 55.36 53.80 2wx5 s GLN 199 Cb -0.16 -1.86 0.98 0.00 1.00 0.00 0.00 33.01 32.97 2wx5 s GLN 199 CO 0.09 -0.39 1.87 0.66 -2.12 0.00 0.00 175.29 175.40 2wx5 h SER 200 N 1.15 0.49 0.00 5.90 4.64 -2.01 -3.30 113.55 120.42 2wx5 h SER 200 Ca -0.41 0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 60.83 2wx5 h SER 200 Cb 1.29 -0.06 -0.26 0.00 -0.31 0.00 0.00 62.40 63.06 2wx5 h SER 200 CO 0.67 0.23 -0.85 -0.46 -0.87 0.00 0.00 176.83 175.54 2wx5 n ASN 201 N -4.53 0.90 0.00 4.97 6.94 -1.26 -5.08 115.26 117.21 2wx5 n ASN 201 Ca 0.18 -2.21 0.00 0.00 -0.02 0.00 0.00 54.58 52.53 2wx5 n ASN 201 Cb 0.58 -0.31 0.00 0.00 -2.36 0.00 0.00 39.78 37.70 2wx5 n ASN 201 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 2wx5 n ARG 202 N 0.19 0.00 -3.81 -3.83 1.85 -1.24 -4.68 116.66 105.14 2wx5 n ARG 202 Ca 0.06 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.55 2wx5 n ARG 202 Cb 1.00 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 32.34 2wx5 n ARG 202 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2wx5 s VAL 203 N -2.00 5.42 -0.15 8.89 1.01 -0.78 -0.29 120.40 132.50 2wx5 s VAL 203 Ca 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 61.98 62.14 2wx5 s VAL 203 Cb 0.00 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 2wx5 s VAL 203 CO 0.00 0.52 -0.05 -2.28 0.00 0.00 0.00 175.10 173.28 2wx5 s HIS 204 N -0.23 2.99 -0.36 5.22 2.46 0.63 -1.12 115.29 124.88 2wx5 s HIS 204 Ca 0.11 -0.33 0.03 0.00 0.47 0.00 0.00 55.06 55.33 2wx5 s HIS 204 Cb -0.11 -1.93 0.10 0.00 -0.13 0.00 0.00 32.58 30.51 2wx5 s HIS 204 CO 0.01 -0.04 0.09 0.08 -2.47 0.00 0.00 174.74 172.40 2wx5 s VAL 205 N 0.30 2.51 0.29 0.89 1.01 0.48 -0.50 120.40 125.37 2wx5 s VAL 205 Ca -0.05 -2.33 0.01 0.00 0.00 0.00 0.00 61.98 59.61 2wx5 s VAL 205 Cb -0.14 -2.81 0.12 0.00 0.00 0.00 0.00 36.38 33.54 2wx5 s VAL 205 CO 0.03 -0.63 1.79 -1.13 0.00 0.00 0.00 175.10 175.17 2wx5 h ASN 206 N 7.66 0.63 0.11 3.32 -0.73 -1.84 -1.41 115.58 123.33 2wx5 h ASN 206 Ca -0.06 -0.15 -0.07 0.00 1.87 0.00 0.00 56.30 57.89 2wx5 h ASN 206 Cb 1.02 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 39.43 2wx5 h ASN 206 CO 0.56 0.73 -0.22 0.00 -0.37 0.00 0.00 177.43 178.13 2wx5 h ALA 207 N 1.34 1.41 -3.88 1.57 0.00 -1.88 -3.40 119.26 114.41 2wx5 h ALA 207 Ca 0.12 -0.27 -0.66 0.00 0.00 0.00 0.00 54.91 54.11 2wx5 h ALA 207 Cb 0.45 -0.08 -0.32 0.00 0.00 0.00 0.00 17.79 17.84 2wx5 h ALA 207 CO 0.02 0.41 -0.87 -0.51 0.00 0.00 0.00 179.25 178.30 2wx5 s LEU 208 N -8.58 2.03 0.66 0.00 1.43 -1.23 -3.56 118.68 109.42 2wx5 s LEU 208 Ca -0.05 -0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 52.44 2wx5 s LEU 208 Cb 0.15 -1.28 -0.01 0.00 0.03 0.00 0.00 46.19 45.08 2wx5 s LEU 208 CO 0.74 0.21 1.06 -0.94 0.23 0.00 0.00 176.35 177.65 2wx5 s SER 209 N -0.03 5.46 0.21 2.29 1.04 -1.26 -0.31 113.70 121.10 2wx5 s SER 209 Ca -0.06 1.74 -0.09 0.00 0.48 0.00 0.00 55.95 58.02 2wx5 s SER 209 Cb -0.14 -2.52 0.24 0.00 0.10 0.00 0.00 66.02 63.70 2wx5 s SER 209 CO 0.04 -1.39 1.83 0.77 0.98 0.00 0.00 173.24 175.47 2wx5 h SER 210 N -0.22 0.67 0.27 7.02 4.64 -1.87 -0.59 113.55 123.47 2wx5 h SER 210 Ca -0.45 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2wx5 h SER 210 Cb 1.22 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2wx5 h SER 210 CO 0.56 0.44 0.00 -0.90 -0.87 0.00 0.00 176.83 176.07 2wx5 n ASP 211 N -4.71 0.00 -0.33 4.97 5.75 -1.26 -2.05 116.55 118.93 2wx5 n ASP 211 Ca 0.09 0.48 0.13 0.00 -0.01 0.00 0.00 54.79 55.48 2wx5 n ASP 211 Cb 0.14 -0.49 0.37 0.00 -1.03 0.00 0.00 41.12 40.11 2wx5 n ASP 211 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2wx5 n LEU 212 N -1.49 1.25 0.06 -2.12 4.77 -0.23 -4.16 117.00 115.07 2wx5 n LEU 212 Ca 0.02 -0.37 -0.01 0.00 -0.03 0.00 0.00 56.01 55.62 2wx5 n LEU 212 Cb 0.09 -0.09 0.26 0.00 -2.33 0.00 0.00 43.42 41.36 2wx5 n LEU 212 CO 0.07 0.23 0.77 -0.26 -1.33 0.00 0.00 177.39 176.87 2wx5 h PHE 213 N 1.61 0.40 0.00 -1.77 -1.00 -1.50 -2.96 116.94 111.73 2wx5 h PHE 213 Ca 0.00 -0.08 -0.05 0.00 2.81 0.00 0.00 57.97 60.65 2wx5 h PHE 213 Cb 0.54 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.99 2wx5 h PHE 213 CO 0.00 0.58 -0.24 0.00 -1.61 0.00 0.00 178.31 177.04 2wx5 h ALA 214 N 1.43 1.05 -0.01 2.45 0.00 -1.80 -1.89 119.26 120.49 2wx5 h ALA 214 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2wx5 h ALA 214 Cb 0.60 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2wx5 h ALA 214 CO 0.04 0.30 -0.01 0.41 0.00 0.00 0.00 179.25 180.00 2wx5 n GLY 215 N 0.05 -0.61 3.69 0.00 0.00 -1.12 -4.83 105.19 102.38 2wx5 n GLY 215 Ca -0.00 -0.30 -0.44 0.00 0.00 0.00 0.00 46.02 45.28 2wx5 n GLY 215 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wx5 n ILE 216 N -0.54 0.35 -1.86 -0.61 5.41 -0.71 -4.87 119.36 116.53 2wx5 n ILE 216 Ca 0.22 -0.09 -0.42 0.00 1.00 0.00 0.00 62.75 63.46 2wx5 n ILE 216 Cb 0.21 -1.71 -0.03 0.00 -0.71 0.00 0.00 39.64 37.41 2wx5 n ILE 216 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2wx5 s PRO 217 N 0.49 4.18 0.63 0.38 0.02 -1.26 -4.98 135.00 134.46 2wx5 s PRO 217 Ca 0.73 2.42 -0.09 0.00 0.02 0.00 0.00 61.00 64.08 2wx5 s PRO 217 Cb -0.60 -3.47 -0.01 0.00 0.02 0.00 0.00 34.50 30.45 2wx5 s PRO 217 CO 0.40 -0.74 1.00 0.95 -0.33 0.00 0.00 177.00 178.29 2wx5 s THR 218 N 2.25 4.01 0.29 0.99 -4.23 -1.26 -4.79 115.64 112.90 2wx5 s THR 218 Ca 0.75 0.45 0.07 0.00 -1.18 0.00 0.00 61.69 61.78 2wx5 s THR 218 Cb -0.43 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 69.76 2wx5 s THR 218 CO 0.33 -0.76 0.30 0.27 -0.54 0.00 0.00 174.62 174.22 2wx5 s ILE 219 N -3.16 4.18 -0.18 2.99 -4.36 -1.26 -5.05 121.20 114.35 2wx5 s ILE 219 Ca 0.55 -1.27 -0.21 0.00 -0.26 0.00 0.00 60.65 59.47 2wx5 s ILE 219 Cb -0.11 -3.39 -0.18 0.00 1.25 0.00 0.00 42.46 40.04 2wx5 s ILE 219 CO 0.50 -0.25 0.27 0.07 0.24 0.00 0.00 174.94 175.77 2wx5 h LYS 220 N 1.27 0.00 -6.36 0.37 2.10 -1.99 -3.46 116.57 108.49 2wx5 h LYS 220 Ca -0.47 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 57.63 2wx5 h LYS 220 Cb 1.25 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.54 2wx5 h LYS 220 CO 0.59 0.83 -0.03 -1.12 -2.00 0.00 0.00 179.45 177.72 2wx5 s SER 221 N -6.53 6.93 -0.01 7.07 0.01 -1.26 -5.01 113.70 114.90 2wx5 s SER 221 Ca -0.24 1.19 0.19 0.00 1.31 0.00 0.00 55.95 58.41 2wx5 s SER 221 Cb 0.03 -2.33 0.57 0.00 0.21 0.00 0.00 66.02 64.50 2wx5 s SER 221 CO 0.54 0.12 1.47 -2.65 0.41 0.00 0.00 173.24 173.13 2wx5 n PRO 222 N 0.97 2.57 -0.15 12.44 -0.02 -1.26 -3.70 135.00 145.84 2wx5 n PRO 222 Ca -0.06 -2.31 0.06 0.00 -2.02 0.00 0.00 63.50 59.18 2wx5 n PRO 222 Cb 0.51 -1.53 0.09 0.00 -0.02 0.00 0.00 33.50 32.56 2wx5 n PRO 222 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2wx5 n THR 223 N 1.32 1.31 -3.56 3.45 -2.24 -1.26 -4.98 114.28 108.33 2wx5 n THR 223 Ca 0.21 -1.56 -0.16 0.00 -2.27 0.00 0.00 64.05 60.28 2wx5 n THR 223 Cb 0.56 0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.78 2wx5 n THR 223 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2wx5 s GLU 224 N -1.94 1.01 0.05 -0.78 -1.05 -1.24 -4.60 118.70 110.14 2wx5 s GLU 224 Ca 0.20 0.03 0.06 0.00 -0.15 0.00 0.00 54.97 55.11 2wx5 s GLU 224 Cb 0.18 0.47 -0.02 0.00 -0.44 0.00 0.00 34.13 34.32 2wx5 s GLU 224 CO 0.02 -0.34 -0.16 0.54 0.95 0.00 0.00 175.26 176.27 2wx5 s VAL 225 N -1.67 1.31 0.18 1.83 0.11 -1.26 -4.44 120.40 116.45 2wx5 s VAL 225 Ca -0.09 -1.11 0.04 0.00 -2.93 0.00 0.00 61.98 57.89 2wx5 s VAL 225 Cb -0.01 -1.17 -0.03 0.00 -1.53 0.00 0.00 36.38 33.63 2wx5 s VAL 225 CO 0.05 0.05 0.26 0.42 -3.33 0.00 0.00 175.10 172.55 2wx5 s THR 226 N -0.87 5.05 0.26 5.04 -4.23 -1.26 -4.22 115.64 115.40 2wx5 s THR 226 Ca 0.03 -0.89 -0.02 0.00 -1.18 0.00 0.00 61.69 59.63 2wx5 s THR 226 Cb -0.08 -3.63 0.24 0.00 1.34 0.00 0.00 72.50 70.36 2wx5 s THR 226 CO 0.02 -0.16 1.72 -0.07 -0.54 0.00 0.00 174.62 175.59 2wx5 h LEU 227 N 1.97 0.31 -2.06 4.79 3.38 -0.89 0.91 115.31 123.72 2wx5 h LEU 227 Ca -0.49 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 2wx5 h LEU 227 Cb 1.21 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 2wx5 h LEU 227 CO 0.65 0.09 -0.01 0.25 0.09 0.00 0.00 178.44 179.52 2wx5 h LEU 228 N 0.45 0.00 0.03 1.67 5.85 -1.37 -1.89 115.31 120.05 2wx5 h LEU 228 Ca 0.45 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.87 2wx5 h LEU 228 Cb 0.73 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 2wx5 h LEU 228 CO -0.43 0.01 -1.75 -0.33 -0.34 0.00 0.00 178.44 175.59 2wx5 h GLU 229 N 0.00 0.07 -0.34 1.25 5.08 0.36 -3.00 114.58 117.99 2wx5 h GLU 229 Ca -0.00 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2wx5 h GLU 229 Cb 0.01 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2wx5 h GLU 229 CO 0.00 0.69 0.16 0.93 -1.00 0.00 0.00 179.01 179.79 2wx5 h GLU 230 N 0.02 0.33 -0.47 2.33 5.08 -0.40 -1.97 114.58 119.50 2wx5 h GLU 230 Ca -0.31 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 2wx5 h GLU 230 Cb 2.01 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 31.17 2wx5 h GLU 230 CO 0.09 0.22 0.22 -0.44 -1.00 0.00 0.00 179.01 178.09 2wx5 h ASP 231 N 0.34 0.59 0.23 1.42 5.19 -1.31 0.21 116.42 123.09 2wx5 h ASP 231 Ca 0.15 -0.05 -0.16 0.00 -0.62 0.00 0.00 57.03 56.35 2wx5 h ASP 231 Cb 0.07 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.42 2wx5 h ASP 231 CO -0.11 0.51 -0.60 0.11 -3.12 0.00 0.00 179.24 176.04 2wx5 h LYS 232 N 0.66 0.37 0.06 3.56 1.57 -1.38 0.13 116.57 121.53 2wx5 h LYS 232 Ca 0.16 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2wx5 h LYS 232 Cb 0.09 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2wx5 h LYS 232 CO -0.02 0.86 -0.03 0.82 -0.57 0.00 0.00 179.45 180.51 2wx5 h ILE 233 N 0.28 1.19 -0.08 1.86 2.04 -0.63 -1.01 117.51 121.16 2wx5 h ILE 233 Ca -0.00 -1.58 0.02 0.00 1.00 0.00 0.00 64.86 64.30 2wx5 h ILE 233 Cb 1.12 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 39.29 2wx5 h ILE 233 CO 0.10 0.35 -0.05 0.00 0.00 0.00 0.00 178.15 178.56 2wx5 n GLY 235 N -1.17 -2.62 0.08 0.00 0.00 0.45 -0.45 105.19 101.47 2wx5 n GLY 235 Ca -0.05 1.13 -0.12 0.00 0.00 0.00 0.00 46.02 46.98 2wx5 n GLY 235 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2wx5 h TYR 236 N 0.00 -0.09 -0.17 1.61 3.20 -0.88 -0.98 116.97 119.67 2wx5 h TYR 236 Ca 0.15 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 2wx5 h TYR 236 Cb 0.37 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 2wx5 h TYR 236 CO -1.01 -0.05 -0.02 0.28 -1.64 0.00 0.00 178.16 175.71 2wx5 h VAL 237 N -0.08 1.27 -0.95 1.81 2.07 -0.72 -2.33 116.25 117.32 2wx5 h VAL 237 Ca 0.00 -0.93 0.12 0.00 0.82 0.00 0.00 66.70 66.72 2wx5 h VAL 237 Cb 0.08 1.55 -0.08 0.00 -1.52 0.00 0.00 31.29 31.32 2wx5 h VAL 237 CO -0.01 0.28 0.60 0.00 0.02 0.00 0.00 177.57 178.46 2wx5 h ALA 238 N 0.75 1.64 0.00 1.67 0.00 -0.62 -1.87 119.26 120.83 2wx5 h ALA 238 Ca 0.05 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2wx5 h ALA 238 Cb 0.43 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2wx5 h ALA 238 CO 0.01 0.13 -0.02 0.78 0.00 0.00 0.00 179.25 180.15 2wx5 h GLY 239 N 0.88 0.00 1.55 0.00 0.00 -0.62 -2.66 103.07 102.22 2wx5 h GLY 239 Ca 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.77 2wx5 h GLY 239 CO -0.23 0.00 0.15 -1.33 0.00 0.00 0.00 176.54 175.13 2wx5 h GLY 240 N 0.15 0.62 -0.61 4.60 0.00 -1.15 -0.80 103.07 105.88 2wx5 h GLY 240 Ca -0.00 -0.30 0.11 0.00 0.00 0.00 0.00 47.33 47.14 2wx5 h GLY 240 CO 0.00 0.29 -0.39 1.41 0.00 0.00 0.00 176.54 177.85 2wx5 h LEU 241 N 0.58 -1.39 0.07 3.11 3.38 -1.52 -1.57 115.31 117.97 2wx5 h LEU 241 Ca 0.14 0.26 -0.17 0.00 0.09 0.00 0.00 57.88 58.19 2wx5 h LEU 241 Cb 0.14 0.67 0.02 0.00 0.09 0.00 0.00 40.66 41.58 2wx5 h LEU 241 CO -0.01 -0.31 -0.73 -0.03 0.09 0.00 0.00 178.44 177.46 2wx5 h MET 242 N -0.14 0.37 0.00 1.13 4.05 -1.68 -3.38 114.93 115.28 2wx5 h MET 242 Ca 0.24 -0.49 0.00 0.00 -0.28 0.00 0.00 59.70 59.17 2wx5 h MET 242 Cb 0.56 0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.52 2wx5 h MET 242 CO -0.77 1.18 -1.37 0.66 0.23 0.00 0.00 176.91 176.84 2wx5 n TYR 243 N -4.16 0.37 -0.01 1.39 4.01 -0.33 -3.71 117.16 114.71 2wx5 n TYR 243 Ca -0.12 0.11 -0.17 0.00 -0.16 0.00 0.00 57.90 57.56 2wx5 n TYR 243 Cb 0.75 -0.59 -0.11 0.00 -0.31 0.00 0.00 39.34 39.08 2wx5 n TYR 243 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wx5 h ALA 244 N 2.21 0.07 -0.65 -0.72 0.00 -1.49 -3.41 119.26 115.26 2wx5 h ALA 244 Ca 0.00 -0.53 0.19 0.00 0.00 0.00 0.00 54.91 54.57 2wx5 h ALA 244 Cb 0.90 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2wx5 h ALA 244 CO 0.00 0.26 0.56 0.00 0.00 0.00 0.00 179.25 180.06 2wx5 n ALA 245 N -2.57 0.63 0.77 0.00 0.00 -1.24 0.20 120.51 118.30 2wx5 n ALA 245 Ca -0.10 0.22 0.08 0.00 0.00 0.00 0.00 53.44 53.63 2wx5 n ALA 245 Cb 0.61 -0.38 0.41 0.00 0.00 0.00 0.00 19.45 20.09 2wx5 n ALA 245 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wx5 n PRO 246 N -2.49 0.25 -2.16 0.00 -0.02 -1.26 -4.06 135.00 125.25 2wx5 n PRO 246 Ca 0.15 0.12 -0.31 0.00 -2.02 0.00 0.00 63.50 61.45 2wx5 n PRO 246 Cb 0.75 -1.50 0.02 0.00 -0.02 0.00 0.00 33.50 32.75 2wx5 n PRO 246 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2wx5 n LYS 247 N -1.26 3.22 0.00 -0.52 0.00 0.52 -4.95 118.16 115.17 2wx5 n LYS 247 Ca 0.08 -4.09 0.00 0.00 0.00 0.00 0.00 58.31 54.30 2wx5 n LYS 247 Cb 0.12 -2.26 0.00 0.00 0.00 0.00 0.00 35.03 32.89 2wx5 n LYS 247 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 2wx5 n ARG 248 N -0.57 0.00 -2.80 1.64 1.85 -1.26 -4.56 116.66 110.96 2wx5 n ARG 248 Ca 0.46 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.88 2wx5 n ARG 248 Cb 0.60 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 32.01 2wx5 n ARG 248 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2wx5 n LYS 249 N 0.00 4.00 0.00 2.89 4.76 -1.26 -4.89 118.16 123.66 2wx5 n LYS 249 Ca 0.00 -4.13 0.15 0.00 -2.87 0.00 0.00 58.31 51.46 2wx5 n LYS 249 Cb 0.00 -2.70 0.68 0.00 -1.84 0.00 0.00 35.03 31.16 2wx5 n LYS 249 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48