#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh1 n LEU 2 N 0.00 -5.11 -0.32 3.17 4.77 -1.26 -4.84 117.00 113.41 2wh1 n LEU 2 Ca 0.00 -0.04 0.11 0.00 -0.03 0.00 0.00 56.01 56.05 2wh1 n LEU 2 Cb 0.00 -2.56 0.33 0.00 -2.33 0.00 0.00 43.42 38.86 2wh1 n LEU 2 CO 0.00 -0.97 1.22 0.71 -1.33 0.00 0.00 177.39 177.02 2wh1 h THR 3 N 1.34 0.81 -3.24 -5.08 1.35 -2.06 -3.39 112.91 102.65 2wh1 h THR 3 Ca -0.28 -0.27 -0.49 0.00 -0.55 0.00 0.00 66.41 64.83 2wh1 h THR 3 Cb 1.19 -0.04 -0.37 0.00 -1.73 0.00 0.00 68.15 67.20 2wh1 h THR 3 CO 0.26 0.14 -0.79 -0.62 -0.25 0.00 0.00 175.52 174.26 2wh1 s ASP 4 N -5.64 1.86 0.01 5.36 -1.08 -1.26 -5.01 116.67 110.91 2wh1 s ASP 4 Ca -0.11 -0.21 -0.26 0.00 -0.52 0.00 0.00 52.55 51.46 2wh1 s ASP 4 Cb 0.23 -0.67 -0.14 0.00 -1.46 0.00 0.00 42.92 40.88 2wh1 s ASP 4 CO 0.80 -0.14 1.07 -0.65 0.52 0.00 0.00 175.17 176.77 2wh1 h PRO 5 N 8.11 -0.89 0.00 4.34 0.11 -1.97 -3.15 132.00 138.55 2wh1 h PRO 5 Ca -0.27 0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2wh1 h PRO 5 Cb 1.13 0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2wh1 h PRO 5 CO 0.36 -0.59 0.00 -0.89 -0.21 0.00 0.00 178.00 176.67 2wh1 n ILE 6 N -5.34 0.00 -0.32 4.15 -0.00 -1.26 0.54 119.36 117.13 2wh1 n ILE 6 Ca -0.11 1.15 0.21 0.00 -0.00 0.00 0.00 62.75 63.99 2wh1 n ILE 6 Cb 0.36 -1.56 0.41 0.00 -0.00 0.00 0.00 39.64 38.85 2wh1 n ILE 6 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2wh1 h ALA 7 N -1.00 1.63 0.12 -1.39 0.00 -1.98 1.06 119.26 117.69 2wh1 h ALA 7 Ca 0.00 0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.18 2wh1 h ALA 7 Cb 0.00 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2wh1 h ALA 7 CO 0.00 -0.65 -0.14 0.22 0.00 0.00 0.00 179.25 178.68 2wh1 h ASP 8 N 0.13 -0.38 0.47 0.00 3.58 0.14 0.25 116.42 120.61 2wh1 h ASP 8 Ca 0.68 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 58.16 2wh1 h ASP 8 Cb 1.56 0.14 -0.02 0.00 1.72 0.00 0.00 39.33 42.73 2wh1 h ASP 8 CO -0.74 -0.21 -0.43 -0.03 -2.88 0.00 0.00 179.24 174.94 2wh1 h MET 9 N -0.30 -0.86 -0.72 0.28 4.05 0.38 1.98 114.93 119.74 2wh1 h MET 9 Ca 0.01 0.06 0.14 0.00 -0.28 0.00 0.00 59.70 59.63 2wh1 h MET 9 Cb 0.30 0.20 -0.14 0.00 -0.80 0.00 0.00 31.60 31.16 2wh1 h MET 9 CO -0.05 -0.57 -0.22 -0.07 0.23 0.00 0.00 176.91 176.23 2wh1 h LEU 10 N -0.89 -0.79 0.40 3.39 3.38 -0.49 0.28 115.31 120.58 2wh1 h LEU 10 Ca -0.06 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2wh1 h LEU 10 Cb 0.76 0.49 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2wh1 h LEU 10 CO -0.03 -0.26 -0.19 0.74 0.09 0.00 0.00 178.44 178.79 2wh1 h THR 11 N -0.03 0.61 -0.85 0.22 2.02 0.04 -0.58 112.91 114.34 2wh1 h THR 11 Ca 0.33 -0.11 0.25 0.00 0.77 0.00 0.00 66.41 67.65 2wh1 h THR 11 Cb 0.54 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 2wh1 h THR 11 CO -0.75 0.02 0.76 -0.09 0.37 0.00 0.00 175.52 175.83 2wh1 h ARG 12 N -0.60 0.00 0.08 6.66 2.43 0.56 0.05 114.38 123.57 2wh1 h ARG 12 Ca -0.05 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2wh1 h ARG 12 Cb 0.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2wh1 h ARG 12 CO 0.09 0.00 -0.04 0.82 -1.51 0.00 0.00 179.97 179.33 2wh1 h ILE 13 N 0.00 0.00 -1.20 1.20 2.04 0.30 -3.11 117.51 116.74 2wh1 h ILE 13 Ca 0.40 -0.69 0.40 0.00 1.00 0.00 0.00 64.86 65.97 2wh1 h ILE 13 Cb 1.93 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.87 2wh1 h ILE 13 CO -0.00 0.00 0.75 -0.09 0.00 0.00 0.00 178.15 178.80 2wh1 h ARG 14 N -0.80 0.14 -0.13 2.37 2.43 0.49 0.48 114.38 119.35 2wh1 h ARG 14 Ca -0.01 -0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 58.94 2wh1 h ARG 14 Cb 0.08 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2wh1 h ARG 14 CO 0.02 0.09 -0.74 -0.91 -1.51 0.00 0.00 179.97 176.92 2wh1 h ASN 15 N 0.15 0.89 -0.13 -3.80 2.35 -1.29 -2.18 115.58 111.56 2wh1 h ASN 15 Ca 0.79 -0.64 -0.17 0.00 -0.55 0.00 0.00 56.30 55.73 2wh1 h ASN 15 Cb 2.28 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 40.38 2wh1 h ASN 15 CO -0.48 1.38 -0.52 0.00 -1.65 0.00 0.00 177.43 176.16 2wh1 h ALA 16 N 0.52 0.61 -0.11 -0.83 0.00 -0.91 -3.18 119.26 115.36 2wh1 h ALA 16 Ca -0.05 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 2wh1 h ALA 16 Cb 1.38 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2wh1 h ALA 16 CO 0.15 0.68 0.05 1.79 0.00 0.00 0.00 179.25 181.92 2wh1 h THR 17 N 0.55 1.13 -0.23 0.00 1.35 -1.11 -2.63 112.91 111.98 2wh1 h THR 17 Ca 0.02 -0.38 0.07 0.00 -0.55 0.00 0.00 66.41 65.57 2wh1 h THR 17 Cb 1.09 1.18 -0.01 0.00 -1.73 0.00 0.00 68.15 68.68 2wh1 h THR 17 CO 0.11 0.11 0.55 0.03 -0.25 0.00 0.00 175.52 176.07 2wh1 h ARG 18 N 0.04 0.00 -0.01 4.72 -0.00 -1.37 1.49 114.38 119.25 2wh1 h ARG 18 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.52 2wh1 h ARG 18 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.11 2wh1 h ARG 18 CO -0.00 0.00 -0.71 1.33 0.00 0.00 0.00 179.97 180.59 2wh1 n VAL 19 N -3.12 0.00 -2.77 2.04 0.24 -1.04 -5.00 118.33 108.67 2wh1 n VAL 19 Ca 0.04 -0.15 -0.04 0.00 -2.04 0.00 0.00 64.34 62.15 2wh1 n VAL 19 Cb 0.65 1.13 0.02 0.00 -1.47 0.00 0.00 33.84 34.17 2wh1 n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2wh1 n TYR 20 N -0.73 -2.22 -4.27 6.34 4.01 0.51 -5.03 117.16 115.76 2wh1 n TYR 20 Ca 0.06 0.83 -0.35 0.00 -0.16 0.00 0.00 57.90 58.28 2wh1 n TYR 20 Cb 0.39 -3.63 -0.09 0.00 -0.31 0.00 0.00 39.34 35.70 2wh1 n TYR 20 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2wh1 s LYS 21 N -3.34 3.06 0.00 -0.72 2.20 -1.02 -5.03 119.74 114.89 2wh1 s LYS 21 Ca 0.11 -0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.36 2wh1 s LYS 21 Cb -0.01 -2.86 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 2wh1 s LYS 21 CO 0.59 0.71 0.58 -1.91 -0.36 0.00 0.00 175.35 174.96 2wh1 n GLU 22 N 2.06 0.00 -4.38 4.03 4.07 -1.26 -4.61 120.64 120.55 2wh1 n GLU 22 Ca -0.19 0.58 -0.22 0.00 -0.06 0.00 0.00 57.16 57.28 2wh1 n GLU 22 Cb 0.54 -1.03 -0.08 0.00 -0.06 0.00 0.00 31.44 30.80 2wh1 n GLU 22 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 2wh1 s SER 23 N -2.81 2.05 -0.25 4.31 1.04 -1.26 -2.44 113.70 114.35 2wh1 s SER 23 Ca 0.00 -1.69 -0.09 0.00 0.48 0.00 0.00 55.95 54.65 2wh1 s SER 23 Cb 0.00 0.51 0.11 0.00 0.10 0.00 0.00 66.02 66.74 2wh1 s SER 23 CO 0.00 -0.98 0.54 -0.89 0.98 0.00 0.00 173.24 172.89 2wh1 s THR 24 N -3.40 -0.74 0.65 2.02 2.01 -0.59 -4.95 115.64 110.63 2wh1 s THR 24 Ca 0.33 0.08 -0.11 0.00 0.31 0.00 0.00 61.69 62.29 2wh1 s THR 24 Cb 0.03 -0.84 -0.02 0.00 0.01 0.00 0.00 72.50 71.68 2wh1 s THR 24 CO 0.20 0.03 1.05 -1.81 -0.69 0.00 0.00 174.62 173.40 2wh1 s ASP 25 N 2.63 5.93 -0.13 3.53 1.11 -1.26 -1.98 116.67 126.50 2wh1 s ASP 25 Ca -0.05 1.38 -0.26 0.00 0.18 0.00 0.00 52.55 53.80 2wh1 s ASP 25 Cb -0.11 -2.36 0.06 0.00 1.07 0.00 0.00 42.92 41.58 2wh1 s ASP 25 CO -0.16 -1.06 0.64 0.68 1.18 0.00 0.00 175.17 176.46 2wh1 s VAL 26 N -3.20 0.00 0.63 -1.27 -7.23 -1.23 -4.84 120.40 103.27 2wh1 s VAL 26 Ca 0.56 -0.04 -0.17 0.00 -1.81 0.00 0.00 61.98 60.52 2wh1 s VAL 26 Cb -0.11 -0.94 -0.11 0.00 0.56 0.00 0.00 36.38 35.78 2wh1 s VAL 26 CO 0.54 -0.02 0.10 -2.65 -0.31 0.00 0.00 175.10 172.76 2wh1 n PRO 27 N 1.69 0.19 -3.29 4.82 -0.02 -1.26 -0.21 135.00 136.91 2wh1 n PRO 27 Ca -0.17 0.08 -0.38 0.00 -2.02 0.00 0.00 63.50 61.01 2wh1 n PRO 27 Cb 0.56 -1.36 -0.06 0.00 -0.02 0.00 0.00 33.50 32.62 2wh1 n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wh1 s ALA 28 N -1.92 3.50 -0.23 3.55 0.00 0.68 -4.61 121.76 122.74 2wh1 s ALA 28 Ca 0.60 -0.11 -0.08 0.00 0.00 0.00 0.00 51.96 52.36 2wh1 s ALA 28 Cb -0.41 -2.66 0.10 0.00 0.00 0.00 0.00 23.12 20.15 2wh1 s ALA 28 CO 0.63 0.10 0.49 0.45 0.00 0.00 0.00 175.76 177.44 2wh1 s SER 29 N 0.18 -0.54 0.22 0.00 0.15 -1.26 -4.99 113.70 107.45 2wh1 s SER 29 Ca 0.28 1.16 -0.16 0.00 0.70 0.00 0.00 55.95 57.92 2wh1 s SER 29 Cb -0.16 1.53 0.23 0.00 -1.71 0.00 0.00 66.02 65.91 2wh1 s SER 29 CO 0.13 -0.23 1.59 -0.09 1.20 0.00 0.00 173.24 175.84 2wh1 h ARG 30 N 7.96 -0.07 -0.24 5.44 2.43 -1.99 1.46 114.38 129.37 2wh1 h ARG 30 Ca -0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2wh1 h ARG 30 Cb 1.12 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 2wh1 h ARG 30 CO 0.13 -0.04 0.16 0.35 -1.51 0.00 0.00 179.97 179.06 2wh1 h PHE 31 N -0.07 0.31 -0.61 2.20 3.57 -1.98 0.19 116.94 120.55 2wh1 h PHE 31 Ca 0.31 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.74 2wh1 h PHE 31 Cb 0.56 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 2wh1 h PHE 31 CO -0.66 0.20 0.06 0.87 -2.23 0.00 0.00 178.31 176.56 2wh1 h LYS 32 N 0.33 1.02 0.11 1.11 1.57 0.15 -3.08 116.57 117.78 2wh1 h LYS 32 Ca 0.09 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 2wh1 h LYS 32 Cb -0.03 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2wh1 h LYS 32 CO -0.02 0.96 -0.05 0.93 -0.57 0.00 0.00 179.45 180.70 2wh1 h GLU 33 N 0.95 -0.14 -1.16 3.15 5.08 0.61 -2.90 114.58 120.17 2wh1 h GLU 33 Ca 0.18 0.01 0.34 0.00 -1.00 0.00 0.00 59.36 58.89 2wh1 h GLU 33 Cb 0.46 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 2wh1 h GLU 33 CO 0.02 0.33 1.23 0.39 -1.00 0.00 0.00 179.01 179.98 2wh1 n GLU 34 N -4.90 0.01 -0.07 2.33 -0.58 0.53 0.62 120.64 118.58 2wh1 n GLU 34 Ca -0.08 1.01 -0.08 0.00 -0.42 0.00 0.00 57.16 57.58 2wh1 n GLU 34 Cb 0.27 -2.47 -0.05 0.00 -0.57 0.00 0.00 31.44 28.62 2wh1 n GLU 34 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2wh1 h ILE 35 N 0.00 0.41 -0.99 -3.67 2.04 -1.48 -3.35 117.51 110.46 2wh1 h ILE 35 Ca 0.55 -1.42 0.30 0.00 1.00 0.00 0.00 64.86 65.29 2wh1 h ILE 35 Cb 3.00 0.88 -0.14 0.00 -0.74 0.00 0.00 36.82 39.82 2wh1 h ILE 35 CO -0.01 0.14 0.54 -0.07 0.00 0.00 0.00 178.15 178.75 2wh1 h LEU 36 N -1.00 0.50 -0.83 1.44 3.38 0.39 0.50 115.31 119.69 2wh1 h LEU 36 Ca -0.08 0.18 0.20 0.00 0.09 0.00 0.00 57.88 58.27 2wh1 h LEU 36 Cb 0.63 0.13 -0.12 0.00 0.09 0.00 0.00 40.66 41.38 2wh1 h LEU 36 CO -0.05 -0.08 0.25 -0.09 0.09 0.00 0.00 178.44 178.56 2wh1 h ARG 37 N 0.37 0.28 -0.00 1.13 2.43 -0.63 0.25 114.38 118.20 2wh1 h ARG 37 Ca 0.69 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.85 2wh1 h ARG 37 Cb 1.51 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.00 2wh1 h ARG 37 CO -0.58 0.18 -0.08 -0.89 -1.51 0.00 0.00 179.97 177.09 2wh1 n ILE 38 N -5.15 0.00 0.09 1.20 5.41 0.17 -1.97 119.36 119.11 2wh1 n ILE 38 Ca 0.19 -0.04 0.10 0.00 1.00 0.00 0.00 62.75 64.00 2wh1 n ILE 38 Cb 0.58 -0.22 -0.02 0.00 -0.71 0.00 0.00 39.64 39.28 2wh1 n ILE 38 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2wh1 n LEU 39 N -1.06 0.81 -0.08 1.39 7.99 0.85 -2.97 117.00 123.93 2wh1 n LEU 39 Ca 0.14 0.32 -0.21 0.00 -0.01 0.00 0.00 56.01 56.25 2wh1 n LEU 39 Cb 0.26 -0.04 -0.12 0.00 -0.11 0.00 0.00 43.42 43.41 2wh1 n LEU 39 CO 0.24 -0.14 -1.09 0.00 -1.51 0.00 0.00 177.39 174.89 2wh1 n ALA 40 N -2.21 1.15 0.22 -1.18 0.00 -1.02 0.19 120.51 117.65 2wh1 n ALA 40 Ca -0.01 -0.86 0.13 0.00 0.00 0.00 0.00 53.44 52.70 2wh1 n ALA 40 Cb 0.59 -0.32 0.69 0.00 0.00 0.00 0.00 19.45 20.41 2wh1 n ALA 40 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wh1 h ARG 41 N -0.21 0.00 -0.19 0.00 2.43 -1.53 0.18 114.38 115.06 2wh1 h ARG 41 Ca -0.52 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 2wh1 h ARG 41 Cb 1.85 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.40 2wh1 h ARG 41 CO -0.08 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.77 2wh1 n GLU 42 N -2.42 2.07 -0.92 0.20 -0.58 -1.16 -4.99 120.64 112.84 2wh1 n GLU 42 Ca -0.01 -1.65 0.00 0.00 -0.42 0.00 0.00 57.16 55.08 2wh1 n GLU 42 Cb 0.07 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 2wh1 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wh1 n GLY 43 N 0.35 0.47 0.13 0.62 0.00 0.64 -4.97 105.19 102.44 2wh1 n GLY 43 Ca 0.08 -0.65 -0.20 0.00 0.00 0.00 0.00 46.02 45.25 2wh1 n GLY 43 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2wh1 h PHE 44 N 0.00 0.64 -4.06 1.61 0.04 0.18 -3.47 116.94 111.89 2wh1 h PHE 44 Ca 0.00 -0.47 -0.53 0.00 2.80 0.00 0.00 57.97 59.77 2wh1 h PHE 44 Cb 0.00 -0.03 -0.24 0.00 2.20 0.00 0.00 35.95 37.88 2wh1 h PHE 44 CO 0.00 1.49 -0.82 0.96 -0.60 0.00 0.00 178.31 179.34 2wh1 s ILE 45 N -2.61 1.52 0.50 -0.55 -4.36 0.76 -3.68 121.20 112.78 2wh1 s ILE 45 Ca -0.10 -1.26 0.23 0.00 -0.26 0.00 0.00 60.65 59.25 2wh1 s ILE 45 Cb 0.06 -1.36 0.28 0.00 1.25 0.00 0.00 42.46 42.69 2wh1 s ILE 45 CO 0.88 0.06 2.12 0.11 0.24 0.00 0.00 174.94 178.34 2wh1 h LYS 46 N 4.62 0.00 0.00 0.37 1.57 -1.35 -3.37 116.57 118.41 2wh1 h LYS 46 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2wh1 h LYS 46 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2wh1 h LYS 46 CO 0.42 0.08 0.00 0.41 -0.57 0.00 0.00 179.45 179.79 2wh1 n GLY 47 N -1.11 2.94 2.90 3.86 0.00 -1.19 -4.98 105.19 107.59 2wh1 n GLY 47 Ca -0.03 -1.46 -0.23 0.00 0.00 0.00 0.00 46.02 44.31 2wh1 n GLY 47 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2wh1 n TYR 48 N -1.62 0.32 0.00 1.61 0.18 -1.26 0.74 117.16 117.14 2wh1 n TYR 48 Ca 0.00 -2.20 0.00 0.00 1.88 0.00 0.00 57.90 57.58 2wh1 n TYR 48 Cb 0.00 -0.07 0.00 0.00 -0.38 0.00 0.00 39.34 38.89 2wh1 n TYR 48 CO 0.00 0.00 0.00 -0.85 -2.08 0.00 0.00 176.86 173.93 2wh1 n GLU 49 N -0.85 0.00 -1.73 -3.48 0.28 -1.15 -4.98 120.64 108.72 2wh1 n GLU 49 Ca -0.08 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.52 2wh1 n GLU 49 Cb 0.52 0.00 0.02 0.00 1.43 0.00 0.00 31.44 33.42 2wh1 n GLU 49 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2wh1 n ARG 50 N -0.05 1.97 -3.89 3.44 1.74 -1.26 -2.09 116.66 116.51 2wh1 n ARG 50 Ca 0.00 0.71 -0.16 0.00 -0.77 0.00 0.00 57.85 57.62 2wh1 n ARG 50 Cb 0.00 -2.51 -0.06 0.00 -1.02 0.00 0.00 32.46 28.86 2wh1 n ARG 50 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2wh1 n VAL 51 N -0.44 0.00 -3.47 1.55 0.24 -1.07 -4.85 118.33 110.29 2wh1 n VAL 51 Ca 0.07 -2.05 -0.20 0.00 -2.04 0.00 0.00 64.34 60.12 2wh1 n VAL 51 Cb 0.42 1.04 -0.12 0.00 -1.47 0.00 0.00 33.84 33.70 2wh1 n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wh1 s ASP 52 N -2.99 1.91 -0.65 -1.34 2.15 -1.26 -3.21 116.67 111.28 2wh1 s ASP 52 Ca 0.34 -0.62 -0.07 0.00 0.43 0.00 0.00 52.55 52.63 2wh1 s ASP 52 Cb 0.02 0.27 0.17 0.00 -0.30 0.00 0.00 42.92 43.07 2wh1 s ASP 52 CO 0.24 -0.37 0.50 -0.69 -0.17 0.00 0.00 175.17 174.68 2wh1 s VAL 53 N 2.29 4.26 -0.74 1.11 1.01 -0.95 -4.67 120.40 122.72 2wh1 s VAL 53 Ca 0.08 -2.63 -0.04 0.00 0.00 0.00 0.00 61.98 59.39 2wh1 s VAL 53 Cb -0.15 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 2wh1 s VAL 53 CO -0.24 -0.89 0.65 0.47 0.00 0.00 0.00 175.10 175.08 2wh1 n ASP 54 N 3.86 -5.26 -0.93 3.32 8.00 -1.26 -2.79 116.55 121.49 2wh1 n ASP 54 Ca 0.07 -0.50 -0.11 0.00 0.71 0.00 0.00 54.79 54.96 2wh1 n ASP 54 Cb 0.41 -3.81 -0.05 0.00 -0.02 0.00 0.00 41.12 37.65 2wh1 n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wh1 n GLY 55 N -1.31 1.06 3.00 0.44 0.00 -1.26 -4.91 105.19 102.21 2wh1 n GLY 55 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 2wh1 n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh1 s LYS 56 N -2.84 1.46 -0.74 1.61 1.02 -1.12 -5.07 119.74 114.05 2wh1 s LYS 56 Ca 0.00 -1.87 -0.25 0.00 0.02 0.00 0.00 55.97 53.88 2wh1 s LYS 56 Cb 0.00 -3.15 -0.14 0.00 -0.52 0.00 0.00 37.83 34.02 2wh1 s LYS 56 CO 0.00 -0.95 2.41 -0.35 -0.92 0.00 0.00 175.35 175.54 2wh1 n PRO 57 N 4.24 0.62 -0.37 -1.68 -0.04 -1.26 -2.23 135.00 134.28 2wh1 n PRO 57 Ca 0.04 -0.58 0.00 0.00 -0.04 0.00 0.00 63.50 62.91 2wh1 n PRO 57 Cb 0.42 -3.40 0.00 0.00 -0.04 0.00 0.00 33.50 30.47 2wh1 n PRO 57 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2wh1 n TYR 58 N 17.01 -1.99 -3.35 0.54 4.02 -1.20 -0.23 117.16 131.97 2wh1 n TYR 58 Ca 0.47 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 58.22 2wh1 n TYR 58 Cb 0.43 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.67 2wh1 n TYR 58 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2wh1 s LEU 59 N 0.00 -0.38 -0.35 7.72 1.43 0.70 -2.60 118.68 125.20 2wh1 s LEU 59 Ca 0.00 -1.00 -0.27 0.00 -1.03 0.00 0.00 54.13 51.83 2wh1 s LEU 59 Cb 0.00 0.76 -0.05 0.00 0.03 0.00 0.00 46.19 46.93 2wh1 s LEU 59 CO 0.00 -0.32 2.26 -0.13 0.23 0.00 0.00 176.35 178.39 2wh1 s ARG 60 N 2.00 2.69 -0.29 1.70 0.52 -0.89 -3.47 118.95 121.21 2wh1 s ARG 60 Ca 0.13 1.67 -0.16 0.00 -0.52 0.00 0.00 55.73 56.85 2wh1 s ARG 60 Cb -0.14 -4.45 -0.03 0.00 0.52 0.00 0.00 34.95 30.86 2wh1 s ARG 60 CO -0.19 -2.61 0.42 0.08 0.02 0.00 0.00 175.30 173.02 2wh1 s VAL 61 N 9.88 5.13 -0.41 3.52 1.01 -0.84 -2.96 120.40 135.74 2wh1 s VAL 61 Ca 0.97 0.50 -0.23 0.00 0.00 0.00 0.00 61.98 63.22 2wh1 s VAL 61 Cb -0.25 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.37 2wh1 s VAL 61 CO 0.31 0.05 0.77 -0.31 0.00 0.00 0.00 175.10 175.92 2wh1 s TYR 62 N 2.15 3.05 0.20 5.22 2.02 0.23 -1.54 117.35 128.68 2wh1 s TYR 62 Ca 0.16 0.34 -0.30 0.00 -0.37 0.00 0.00 57.07 56.90 2wh1 s TYR 62 Cb -0.16 -3.51 -0.08 0.00 -0.40 0.00 0.00 41.96 37.81 2wh1 s TYR 62 CO 0.11 -0.85 0.96 -0.51 -1.57 0.00 0.00 175.55 173.68 2wh1 s LEU 63 N 3.16 4.60 -0.16 -1.29 2.01 -1.02 -1.03 118.68 124.95 2wh1 s LEU 63 Ca 0.30 1.93 -0.10 0.00 0.01 0.00 0.00 54.13 56.27 2wh1 s LEU 63 Cb -0.13 -3.60 -0.05 0.00 0.01 0.00 0.00 46.19 42.42 2wh1 s LEU 63 CO 0.20 0.07 0.18 -0.75 1.01 0.00 0.00 176.35 177.05 2wh1 s LYS 64 N -0.84 3.97 0.00 1.70 2.20 -1.24 -4.67 119.74 120.87 2wh1 s LYS 64 Ca 0.43 -0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.94 2wh1 s LYS 64 Cb -0.26 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 2wh1 s LYS 64 CO 0.32 0.45 0.00 0.66 -0.36 0.00 0.00 175.35 176.42 2wh1 n TYR 65 N 2.99 0.00 -3.32 4.03 4.02 -1.26 -3.61 117.16 120.01 2wh1 n TYR 65 Ca -0.16 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.56 2wh1 n TYR 65 Cb 0.53 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.88 2wh1 n TYR 65 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wh1 n GLY 66 N 4.68 2.28 3.77 2.72 0.00 0.10 -4.69 105.19 114.05 2wh1 n GLY 66 Ca 0.00 -2.23 -0.39 0.00 0.00 0.00 0.00 46.02 43.40 2wh1 n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wh1 s PRO 67 N -3.92 4.47 0.37 1.61 0.04 -1.26 -4.72 135.00 131.59 2wh1 s PRO 67 Ca 0.38 1.03 -0.23 0.00 0.04 0.00 0.00 61.00 62.23 2wh1 s PRO 67 Cb -0.03 -3.30 -0.15 0.00 0.04 0.00 0.00 34.50 31.06 2wh1 s PRO 67 CO 0.24 0.47 0.34 -2.13 0.04 0.00 0.00 177.00 175.96 2wh1 n ARG 68 N 2.11 0.22 -3.34 4.56 0.63 -1.26 -4.41 116.66 115.18 2wh1 n ARG 68 Ca -0.05 0.08 -0.21 0.00 -0.92 0.00 0.00 57.85 56.75 2wh1 n ARG 68 Cb 0.50 -1.19 0.01 0.00 0.45 0.00 0.00 32.46 32.23 2wh1 n ARG 68 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2wh1 s ARG 69 N -1.20 2.47 0.00 -0.14 0.52 -1.00 -4.93 118.95 114.66 2wh1 s ARG 69 Ca 0.61 -1.60 0.00 0.00 -0.52 0.00 0.00 55.73 54.23 2wh1 s ARG 69 Cb -0.68 -2.49 0.00 0.00 0.52 0.00 0.00 34.95 32.30 2wh1 s ARG 69 CO 0.60 -0.50 0.00 1.04 0.02 0.00 0.00 175.30 176.45 2wh1 n GLN 70 N -1.88 0.00 0.00 3.54 1.13 -1.26 -4.65 117.38 114.26 2wh1 n GLN 70 Ca 0.07 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 2wh1 n GLN 70 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.97 2wh1 n GLN 70 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wh1 n GLY 71 N 0.00 -2.12 3.38 1.08 0.00 -1.26 -4.52 105.19 101.75 2wh1 n GLY 71 Ca 0.00 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 2wh1 n GLY 71 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wh1 n PRO 72 N 0.00 -0.05 -3.68 1.61 -0.02 -1.26 -3.20 135.00 128.40 2wh1 n PRO 72 Ca 0.00 0.02 -0.30 0.00 -2.02 0.00 0.00 63.50 61.20 2wh1 n PRO 72 Cb 0.00 -1.73 0.04 0.00 -0.02 0.00 0.00 33.50 31.79 2wh1 n PRO 72 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2wh1 n ASP 73 N -0.33 -5.39 0.00 2.55 4.64 -1.26 -4.78 116.55 111.98 2wh1 n ASP 73 Ca 0.07 -0.98 0.01 0.00 -1.38 0.00 0.00 54.79 52.51 2wh1 n ASP 73 Cb 0.52 -3.25 0.04 0.00 -1.04 0.00 0.00 41.12 37.40 2wh1 n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2wh1 n PRO 74 N -3.99 0.47 -1.69 -0.67 -0.04 -1.19 -4.80 135.00 123.09 2wh1 n PRO 74 Ca -0.10 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.91 2wh1 n PRO 74 Cb 0.59 -1.05 -0.04 0.00 -0.04 0.00 0.00 33.50 32.96 2wh1 n PRO 74 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wh1 n ARG 75 N -0.55 2.41 -2.36 0.54 1.74 -1.26 -2.38 116.66 114.80 2wh1 n ARG 75 Ca 0.01 0.87 -0.37 0.00 -0.77 0.00 0.00 57.85 57.59 2wh1 n ARG 75 Cb 0.01 -2.68 -0.02 0.00 -1.02 0.00 0.00 32.46 28.74 2wh1 n ARG 75 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2wh1 s PRO 76 N 1.39 3.97 1.20 5.56 0.04 -1.26 -4.47 135.00 141.42 2wh1 s PRO 76 Ca 0.79 1.71 -0.14 0.00 0.04 0.00 0.00 61.00 63.40 2wh1 s PRO 76 Cb -0.61 -2.52 0.30 0.00 0.04 0.00 0.00 34.50 31.71 2wh1 s PRO 76 CO 0.37 -0.36 1.02 -2.00 0.04 0.00 0.00 177.00 176.07 2wh1 s GLU 77 N -2.52 -1.19 0.15 4.56 2.12 -1.26 -4.64 118.70 115.91 2wh1 s GLU 77 Ca 0.60 0.67 0.09 0.00 0.36 0.00 0.00 54.97 56.69 2wh1 s GLU 77 Cb -0.27 -1.54 -0.04 0.00 0.26 0.00 0.00 34.13 32.54 2wh1 s GLU 77 CO 0.33 -3.86 -0.13 -0.65 -0.54 0.00 0.00 175.26 170.41 2wh1 s GLN 78 N -4.58 1.93 0.22 4.30 -0.21 -1.26 -0.72 119.66 119.34 2wh1 s GLN 78 Ca 0.68 -1.23 0.06 0.00 0.02 0.00 0.00 55.36 54.89 2wh1 s GLN 78 Cb -0.23 -2.14 0.19 0.00 1.00 0.00 0.00 33.01 31.83 2wh1 s GLN 78 CO 0.63 0.46 1.51 0.28 -2.12 0.00 0.00 175.29 176.05 2wh1 h VAL 79 N 3.11 1.45 -3.63 1.09 2.07 -1.83 -3.39 116.25 115.11 2wh1 h VAL 79 Ca -0.48 -2.26 -0.69 0.00 0.82 0.00 0.00 66.70 64.10 2wh1 h VAL 79 Cb 1.19 2.20 -0.28 0.00 -1.52 0.00 0.00 31.29 32.88 2wh1 h VAL 79 CO 0.51 0.66 -0.63 -0.63 0.02 0.00 0.00 177.57 177.49 2wh1 s ILE 80 N -3.52 3.73 -0.13 4.57 1.01 -1.26 -4.93 121.20 120.67 2wh1 s ILE 80 Ca -0.03 -0.95 0.18 0.00 0.00 0.00 0.00 60.65 59.86 2wh1 s ILE 80 Cb 0.12 -3.01 -0.18 0.00 0.01 0.00 0.00 42.46 39.39 2wh1 s ILE 80 CO 0.80 -0.03 0.65 1.41 0.00 0.00 0.00 174.94 177.77 2wh1 n HIS 81 N 4.81 0.65 -3.64 3.97 8.25 -0.26 -4.96 115.22 124.04 2wh1 n HIS 81 Ca -0.14 0.21 -0.05 0.00 -0.26 0.00 0.00 57.72 57.49 2wh1 n HIS 81 Cb 0.46 -0.97 -0.07 0.00 1.12 0.00 0.00 29.99 30.54 2wh1 n HIS 81 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2wh1 s HIS 82 N -2.97 -0.59 -0.13 4.41 5.65 -0.16 -5.01 115.29 116.49 2wh1 s HIS 82 Ca -0.05 1.23 -0.04 0.00 0.25 0.00 0.00 55.06 56.46 2wh1 s HIS 82 Cb 0.09 0.37 0.05 0.00 -1.18 0.00 0.00 32.58 31.91 2wh1 s HIS 82 CO 0.83 -0.29 0.07 -1.50 -0.65 0.00 0.00 174.74 173.20 2wh1 s ILE 83 N 1.08 0.03 -0.06 0.89 2.07 -1.26 -0.72 121.20 123.23 2wh1 s ILE 83 Ca -0.06 -0.03 0.04 0.00 -1.41 0.00 0.00 60.65 59.18 2wh1 s ILE 83 Cb -0.04 -0.52 0.00 0.00 0.13 0.00 0.00 42.46 42.03 2wh1 s ILE 83 CO -0.13 -0.10 -0.18 -0.60 -1.91 0.00 0.00 174.94 172.02 2wh1 s ARG 84 N 2.09 2.08 -0.19 3.50 3.52 -0.73 -4.88 118.95 124.34 2wh1 s ARG 84 Ca 0.03 -0.63 -0.29 0.00 -0.13 0.00 0.00 55.73 54.71 2wh1 s ARG 84 Cb -0.15 -1.71 -0.01 0.00 -1.56 0.00 0.00 34.95 31.52 2wh1 s ARG 84 CO -0.07 0.17 1.34 0.50 -0.81 0.00 0.00 175.30 176.43 2wh1 s ARG 85 N 0.28 4.11 0.00 5.12 3.00 -1.26 -2.14 118.95 128.06 2wh1 s ARG 85 Ca -0.10 1.61 0.00 0.00 -1.00 0.00 0.00 55.73 56.24 2wh1 s ARG 85 Cb -0.14 -3.84 0.00 0.00 0.00 0.00 0.00 34.95 30.97 2wh1 s ARG 85 CO 0.04 -0.87 0.00 -0.89 0.00 0.00 0.00 175.30 173.58 2wh1 n ILE 86 N 5.67 0.00 -1.49 4.11 2.08 -0.54 -4.77 119.36 124.42 2wh1 n ILE 86 Ca 0.15 0.00 -0.57 0.00 0.56 0.00 0.00 62.75 62.89 2wh1 n ILE 86 Cb 0.45 0.00 -0.09 0.00 -0.75 0.00 0.00 39.64 39.25 2wh1 n ILE 86 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 2wh1 n SER 87 N 0.00 1.71 -4.71 4.38 2.88 -1.11 -4.92 113.62 111.85 2wh1 n SER 87 Ca 0.00 0.75 -0.24 0.00 -1.33 0.00 0.00 58.87 58.06 2wh1 n SER 87 Cb 0.00 -1.09 -0.06 0.00 -0.75 0.00 0.00 64.21 62.31 2wh1 n SER 87 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2wh1 s LYS 88 N 5.10 2.52 0.54 -1.46 1.02 -0.50 -4.84 119.74 122.12 2wh1 s LYS 88 Ca 1.09 -1.22 0.27 0.00 0.02 0.00 0.00 55.97 56.12 2wh1 s LYS 88 Cb -1.17 -2.34 1.42 0.00 -0.52 0.00 0.00 37.83 35.23 2wh1 s LYS 88 CO 0.62 0.40 1.98 -1.00 -0.92 0.00 0.00 175.35 176.43 2wh1 h PRO 89 N 1.98 0.00 0.63 -1.68 0.13 -1.95 -1.89 132.00 129.22 2wh1 h PRO 89 Ca -0.46 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 2wh1 h PRO 89 Cb 1.23 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.37 2wh1 h PRO 89 CO 0.60 0.00 -0.30 0.78 -0.23 0.00 0.00 178.00 178.85 2wh1 h GLY 90 N 0.00 -0.88 -7.79 1.56 0.00 -1.98 -3.41 103.07 90.57 2wh1 h GLY 90 Ca 0.28 0.33 -0.68 0.00 0.00 0.00 0.00 47.33 47.26 2wh1 h GLY 90 CO -0.00 -0.32 -0.74 -1.60 0.00 0.00 0.00 176.54 173.88 2wh1 s ARG 91 N -4.32 2.21 0.50 4.80 3.52 -0.73 -5.11 118.95 119.83 2wh1 s ARG 91 Ca -0.12 -1.41 -0.19 0.00 -0.13 0.00 0.00 55.73 53.88 2wh1 s ARG 91 Cb 0.01 -3.08 -0.08 0.00 -1.56 0.00 0.00 34.95 30.24 2wh1 s ARG 91 CO 0.37 -0.66 1.02 1.03 -0.81 0.00 0.00 175.30 176.25 2wh1 s ARG 92 N 1.14 3.80 -0.13 5.12 1.81 -1.07 -1.42 118.95 128.20 2wh1 s ARG 92 Ca -0.04 1.25 0.01 0.00 -1.72 0.00 0.00 55.73 55.22 2wh1 s ARG 92 Cb -0.20 -2.10 0.02 0.00 -0.45 0.00 0.00 34.95 32.22 2wh1 s ARG 92 CO -0.04 -0.41 -0.13 0.08 -0.68 0.00 0.00 175.30 174.11 2wh1 s VAL 93 N -2.17 1.46 -0.30 3.52 1.01 -1.26 -4.89 120.40 117.78 2wh1 s VAL 93 Ca 0.65 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2wh1 s VAL 93 Cb -0.14 -1.38 0.09 0.00 0.00 0.00 0.00 36.38 34.95 2wh1 s VAL 93 CO 0.23 0.44 0.06 -0.31 0.00 0.00 0.00 175.10 175.52 2wh1 s TYR 94 N 1.38 2.17 0.20 5.22 2.02 -1.26 -2.57 117.35 124.51 2wh1 s TYR 94 Ca 0.02 -1.94 -0.12 0.00 -0.37 0.00 0.00 57.07 54.66 2wh1 s TYR 94 Cb -0.13 -1.90 -0.07 0.00 -0.40 0.00 0.00 41.96 39.46 2wh1 s TYR 94 CO -0.08 -0.86 0.56 0.14 -1.57 0.00 0.00 175.55 173.75 2wh1 s VAL 95 N 1.46 4.88 0.00 0.71 -7.23 0.01 -4.95 120.40 115.27 2wh1 s VAL 95 Ca 0.07 0.67 0.00 0.00 -1.81 0.00 0.00 61.98 60.91 2wh1 s VAL 95 Cb -0.18 -3.67 0.00 0.00 0.56 0.00 0.00 36.38 33.09 2wh1 s VAL 95 CO -0.18 0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 2wh1 n GLY 96 N 0.26 -1.30 0.10 2.32 0.00 -1.24 -1.78 105.19 103.55 2wh1 n GLY 96 Ca -0.02 -1.54 -0.21 0.00 0.00 0.00 0.00 46.02 44.25 2wh1 n GLY 96 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2wh1 h VAL 97 N -0.24 0.94 -0.53 1.61 3.04 -1.92 -3.36 116.25 115.79 2wh1 h VAL 97 Ca 0.00 -2.15 -0.02 0.00 -1.01 0.00 0.00 66.70 63.52 2wh1 h VAL 97 Cb 0.00 2.22 -0.03 0.00 -2.01 0.00 0.00 31.29 31.47 2wh1 h VAL 97 CO 0.00 0.32 0.24 0.11 -1.01 0.00 0.00 177.57 177.23 2wh1 h LYS 98 N -1.00 0.74 -5.43 4.17 1.57 -1.95 -3.29 116.57 111.39 2wh1 h LYS 98 Ca -0.32 -0.09 -0.70 0.00 -1.87 0.00 0.00 60.65 57.67 2wh1 h LYS 98 Cb 1.26 -0.14 -0.12 0.00 0.08 0.00 0.00 32.23 33.31 2wh1 h LYS 98 CO -0.19 0.59 1.85 -1.21 -0.57 0.00 0.00 179.45 179.91 2wh1 s GLU 99 N -5.42 4.01 0.03 3.15 2.02 -1.26 -4.94 118.70 116.30 2wh1 s GLU 99 Ca -0.09 -2.20 0.01 0.00 0.02 0.00 0.00 54.97 52.71 2wh1 s GLU 99 Cb 0.17 -5.35 -0.02 0.00 0.10 0.00 0.00 34.13 29.03 2wh1 s GLU 99 CO 0.77 -2.06 -0.06 0.42 0.02 0.00 0.00 175.26 174.35 2wh1 s ILE 100 N 3.22 0.37 0.39 -1.63 1.01 -1.24 -3.65 121.20 119.66 2wh1 s ILE 100 Ca 0.49 -1.01 -0.24 0.00 0.00 0.00 0.00 60.65 59.89 2wh1 s ILE 100 Cb 0.01 -0.47 -0.10 0.00 0.01 0.00 0.00 42.46 41.91 2wh1 s ILE 100 CO 0.04 -0.43 1.00 -2.84 0.00 0.00 0.00 174.94 172.72 2wh1 s PRO 101 N -1.54 4.27 -0.72 2.79 0.02 -1.26 -5.03 135.00 133.53 2wh1 s PRO 101 Ca -0.12 1.38 0.04 0.00 0.02 0.00 0.00 61.00 62.32 2wh1 s PRO 101 Cb -0.10 -2.52 0.20 0.00 0.02 0.00 0.00 34.50 32.10 2wh1 s PRO 101 CO -0.00 -0.02 0.62 0.54 -0.33 0.00 0.00 177.00 177.81 2wh1 n ARG 102 N -0.05 2.19 -1.70 5.54 3.00 -1.26 -4.92 116.66 119.46 2wh1 n ARG 102 Ca 0.05 -4.54 -0.56 0.00 -0.01 0.00 0.00 57.85 52.78 2wh1 n ARG 102 Cb 0.51 -2.30 -0.07 0.00 0.00 0.00 0.00 32.46 30.60 2wh1 n ARG 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2wh1 n VAL 103 N 1.69 0.31 -0.39 1.55 0.31 -1.26 -2.07 118.33 118.46 2wh1 n VAL 103 Ca 0.23 -0.05 -0.01 0.00 -0.01 0.00 0.00 64.34 64.50 2wh1 n VAL 103 Cb 0.37 -1.25 -0.00 0.00 -0.91 0.00 0.00 33.84 32.04 2wh1 n VAL 103 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wh1 n ARG 104 N 5.26 -1.87 -1.75 5.55 3.00 -1.26 -0.33 116.66 125.26 2wh1 n ARG 104 Ca 0.25 0.16 0.00 0.00 -0.00 0.00 0.00 57.85 58.26 2wh1 n ARG 104 Cb 0.15 -3.32 0.00 0.00 0.00 0.00 0.00 32.46 29.28 2wh1 n ARG 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2wh1 n ARG 105 N 0.02 0.00 0.00 -0.14 1.74 -0.88 -4.04 116.66 113.36 2wh1 n ARG 105 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 2wh1 n ARG 105 Cb 0.13 -2.13 0.00 0.00 -1.02 0.00 0.00 32.46 29.45 2wh1 n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wh1 n GLY 106 N -1.00 2.91 0.00 -0.13 0.00 0.55 -4.82 105.19 102.70 2wh1 n GLY 106 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2wh1 n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wh1 n LEU 107 N 0.00 0.00 -3.95 0.99 4.77 -1.17 -4.72 117.00 112.93 2wh1 n LEU 107 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 2wh1 n LEU 107 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 2wh1 n LEU 107 CO 0.00 0.00 -0.22 -0.83 -1.33 0.00 0.00 177.39 175.01 2wh1 s GLY 108 N -1.78 0.22 0.53 -0.72 0.00 -1.11 -4.87 107.32 99.59 2wh1 s GLY 108 Ca 0.15 -0.71 0.06 0.00 0.00 0.00 0.00 44.72 44.22 2wh1 s GLY 108 CO 0.12 -0.86 0.74 -1.50 0.00 0.00 0.00 173.10 171.60 2wh1 s ILE 109 N -3.22 2.56 -0.47 0.90 2.07 -0.41 -4.46 121.20 118.17 2wh1 s ILE 109 Ca 0.00 -0.87 0.06 0.00 -1.41 0.00 0.00 60.65 58.43 2wh1 s ILE 109 Cb 0.02 -2.69 0.19 0.00 0.13 0.00 0.00 42.46 40.12 2wh1 s ILE 109 CO -0.07 0.00 0.61 0.00 -1.91 0.00 0.00 174.94 173.56 2wh1 n ALA 110 N -2.20 0.01 -0.96 1.50 0.00 -1.26 -2.41 120.51 115.18 2wh1 n ALA 110 Ca 0.11 -1.91 -0.36 0.00 0.00 0.00 0.00 53.44 51.28 2wh1 n ALA 110 Cb 0.60 -1.19 0.05 0.00 0.00 0.00 0.00 19.45 18.92 2wh1 n ALA 110 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wh1 n ILE 111 N 2.63 0.00 -3.15 0.00 5.41 -0.88 -2.54 119.36 120.83 2wh1 n ILE 111 Ca 0.21 -0.35 0.05 0.00 1.00 0.00 0.00 62.75 63.66 2wh1 n ILE 111 Cb 0.54 -0.10 -0.02 0.00 -0.71 0.00 0.00 39.64 39.35 2wh1 n ILE 111 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2wh1 s LEU 112 N 6.50 -0.36 -0.30 1.39 2.96 -0.90 -3.58 118.68 124.40 2wh1 s LEU 112 Ca 0.42 0.22 -0.29 0.00 -0.22 0.00 0.00 54.13 54.27 2wh1 s LEU 112 Cb -0.12 1.30 -0.02 0.00 0.50 0.00 0.00 46.19 47.85 2wh1 s LEU 112 CO 0.77 -0.07 1.65 -0.55 -1.32 0.00 0.00 176.35 176.83 2wh1 s SER 113 N 2.96 6.17 0.35 3.68 0.15 -1.18 -2.67 113.70 123.17 2wh1 s SER 113 Ca -0.03 1.33 0.09 0.00 0.70 0.00 0.00 55.95 58.03 2wh1 s SER 113 Cb -0.10 -2.53 -0.07 0.00 -1.71 0.00 0.00 66.02 61.61 2wh1 s SER 113 CO -0.10 -1.48 -0.07 0.42 1.20 0.00 0.00 173.24 173.21 2wh1 s THR 114 N 5.95 2.14 -2.00 6.45 -4.23 -0.72 -1.54 115.64 121.69 2wh1 s THR 114 Ca 0.73 -2.16 0.02 0.00 -1.18 0.00 0.00 61.69 59.10 2wh1 s THR 114 Cb -0.22 -2.71 0.06 0.00 1.34 0.00 0.00 72.50 70.97 2wh1 s THR 114 CO 0.32 -0.16 0.40 -1.54 -0.54 0.00 0.00 174.62 173.10 2wh1 n SER 115 N -0.81 0.00 -2.18 3.99 3.41 -1.26 -1.71 113.62 115.06 2wh1 n SER 115 Ca -0.05 -0.32 0.01 0.00 -0.26 0.00 0.00 58.87 58.26 2wh1 n SER 115 Cb 0.64 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.63 2wh1 n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wh1 n LYS 116 N -0.67 1.04 0.00 4.33 5.02 -1.26 -5.13 118.16 121.50 2wh1 n LYS 116 Ca 0.02 -2.88 0.00 0.00 -2.02 0.00 0.00 58.31 53.43 2wh1 n LYS 116 Cb 0.01 -0.94 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 2wh1 n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wh1 n GLY 117 N -0.14 0.66 3.48 0.72 0.00 -0.69 -4.82 105.19 104.40 2wh1 n GLY 117 Ca 0.08 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 2wh1 n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh1 s VAL 118 N -1.22 4.57 0.00 1.61 1.01 -1.26 -1.76 120.40 123.34 2wh1 s VAL 118 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 61.98 60.38 2wh1 s VAL 118 Cb 0.00 -4.89 0.00 0.00 0.00 0.00 0.00 36.38 31.49 2wh1 s VAL 118 CO 0.00 -1.65 0.00 0.18 0.00 0.00 0.00 175.10 173.63 2wh1 n LEU 119 N 7.02 0.00 -3.88 3.92 4.77 -1.09 -4.83 117.00 122.91 2wh1 n LEU 119 Ca 0.30 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.18 2wh1 n LEU 119 Cb 0.48 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 2wh1 n LEU 119 CO 0.57 0.00 0.16 0.42 -1.33 0.00 0.00 177.39 177.21 2wh1 s THR 120 N 1.22 0.03 0.00 -5.08 -4.23 -1.26 -2.11 115.64 104.22 2wh1 s THR 120 Ca 0.00 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 2wh1 s THR 120 Cb 0.00 -1.83 0.00 0.00 1.34 0.00 0.00 72.50 72.01 2wh1 s THR 120 CO 0.00 -0.14 0.16 -0.90 -0.54 0.00 0.00 174.62 173.20 2wh1 n ASP 121 N -0.31 0.00 0.13 3.99 5.75 -1.05 0.29 116.55 125.34 2wh1 n ASP 121 Ca -0.07 0.16 -0.05 0.00 -0.01 0.00 0.00 54.79 54.82 2wh1 n ASP 121 Cb 0.62 -0.06 -0.03 0.00 -1.03 0.00 0.00 41.12 40.63 2wh1 n ASP 121 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2wh1 h ARG 122 N 0.00 -0.34 -0.89 0.11 3.08 -1.93 0.27 114.38 114.69 2wh1 h ARG 122 Ca 0.00 0.02 0.16 0.00 0.07 0.00 0.00 59.98 60.23 2wh1 h ARG 122 Cb 0.00 0.08 -0.16 0.00 0.08 0.00 0.00 29.97 29.97 2wh1 h ARG 122 CO 0.00 -0.22 -0.28 0.39 -1.07 0.00 0.00 179.97 178.78 2wh1 n GLU 123 N -3.01 -0.14 -0.04 0.04 1.02 -0.49 0.18 120.64 118.20 2wh1 n GLU 123 Ca -0.04 1.38 -0.06 0.00 -0.02 0.00 0.00 57.16 58.41 2wh1 n GLU 123 Cb 0.14 -2.05 0.12 0.00 -0.02 0.00 0.00 31.44 29.63 2wh1 n GLU 123 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wh1 h ALA 124 N 1.51 0.93 -0.37 0.62 0.00 0.44 0.38 119.26 122.77 2wh1 h ALA 124 Ca 0.37 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2wh1 h ALA 124 Cb 0.59 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2wh1 h ALA 124 CO -0.90 0.62 0.11 -0.09 0.00 0.00 0.00 179.25 178.99 2wh1 h ARG 125 N 0.55 0.57 0.05 0.00 2.43 0.40 0.14 114.38 118.52 2wh1 h ARG 125 Ca 0.07 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2wh1 h ARG 125 Cb 0.77 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2wh1 h ARG 125 CO 0.06 0.59 -0.03 -0.22 -1.51 0.00 0.00 179.97 178.86 2wh1 h LYS 126 N 0.45 -0.07 -1.00 0.20 3.64 0.26 -2.57 116.57 117.48 2wh1 h LYS 126 Ca 0.12 0.00 0.28 0.00 -1.27 0.00 0.00 60.65 59.78 2wh1 h LYS 126 Cb 0.26 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.04 2wh1 h LYS 126 CO -0.00 -0.05 0.70 -0.07 -2.27 0.00 0.00 179.45 177.76 2wh1 h LEU 127 N -0.07 0.11 -1.70 5.20 -0.00 -0.30 -3.46 115.31 115.09 2wh1 h LEU 127 Ca -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2wh1 h LEU 127 Cb 0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.72 2wh1 h LEU 127 CO 0.00 0.03 0.00 0.61 -0.00 0.00 0.00 178.44 179.09 2wh1 n GLY 128 N -1.67 0.80 3.43 0.83 0.00 0.42 -5.08 105.19 103.93 2wh1 n GLY 128 Ca 0.21 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 2wh1 n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wh1 s VAL 129 N -2.52 0.03 0.48 1.61 -7.23 -0.72 -5.04 120.40 107.01 2wh1 s VAL 129 Ca 0.00 -0.50 0.05 0.00 -1.81 0.00 0.00 61.98 59.73 2wh1 s VAL 129 Cb 0.00 -1.29 -0.01 0.00 0.56 0.00 0.00 36.38 35.64 2wh1 s VAL 129 CO 0.00 -0.15 0.21 -0.83 -0.31 0.00 0.00 175.10 174.03 2wh1 s GLY 130 N -2.82 2.52 0.00 2.32 0.00 -1.26 -4.58 107.32 103.50 2wh1 s GLY 130 Ca 0.05 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.37 2wh1 s GLY 130 CO -0.09 -1.99 0.00 0.61 0.00 0.00 0.00 173.10 171.63 2wh1 n GLY 131 N -1.43 1.00 3.55 0.20 0.00 -0.74 -4.64 105.19 103.14 2wh1 n GLY 131 Ca -0.06 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 2wh1 n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wh1 s GLU 132 N 1.17 3.83 -0.83 1.61 2.12 -0.59 -0.81 118.70 125.20 2wh1 s GLU 132 Ca 0.00 -1.75 -0.32 0.00 0.36 0.00 0.00 54.97 53.26 2wh1 s GLU 132 Cb 0.00 -5.36 -0.19 0.00 0.26 0.00 0.00 34.13 28.84 2wh1 s GLU 132 CO 0.00 -2.14 2.57 -0.11 -0.54 0.00 0.00 175.26 175.05 2wh1 n LEU 133 N 8.04 0.76 0.19 2.70 0.00 -1.06 -3.11 117.00 124.52 2wh1 n LEU 133 Ca 0.40 0.13 -0.08 0.00 0.00 0.00 0.00 56.01 56.46 2wh1 n LEU 133 Cb 0.48 -1.04 -0.04 0.00 0.00 0.00 0.00 43.42 42.82 2wh1 n LEU 133 CO 0.69 -0.86 0.33 0.40 0.00 0.00 0.00 177.39 177.95 2wh1 h ILE 134 N 7.80 0.00 -2.32 1.96 1.08 -1.88 -2.94 117.51 121.21 2wh1 h ILE 134 Ca -0.10 -0.22 0.15 0.00 -0.39 0.00 0.00 64.86 64.31 2wh1 h ILE 134 Cb 1.32 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.96 2wh1 h ILE 134 CO 1.30 0.00 0.49 0.00 -0.69 0.00 0.00 178.15 179.25 2wh1 s GLU 136 N -3.23 2.20 -0.10 0.00 -1.05 -0.91 -2.06 118.70 113.55 2wh1 s GLU 136 Ca 0.10 -1.26 -0.07 0.00 -0.15 0.00 0.00 54.97 53.58 2wh1 s GLU 136 Cb -0.01 -2.21 0.03 0.00 -0.44 0.00 0.00 34.13 31.50 2wh1 s GLU 136 CO -0.02 0.42 0.24 0.08 0.95 0.00 0.00 175.26 176.94 2wh1 s VAL 137 N -1.85 -0.01 0.00 1.83 1.01 -1.01 -1.78 120.40 118.58 2wh1 s VAL 137 Ca 0.27 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2wh1 s VAL 137 Cb -0.08 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 35.94 2wh1 s VAL 137 CO 0.17 0.02 0.00 -2.67 0.00 0.00 0.00 175.10 172.62