#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k11 s GLU 2 N 0.00 0.97 0.68 1.97 2.12 -1.26 -5.18 118.70 118.00 2k11 s GLU 2 Ca 0.00 -0.46 0.03 0.00 0.36 0.00 0.00 54.97 54.90 2k11 s GLU 2 Cb 0.00 0.38 0.12 0.00 0.26 0.00 0.00 34.13 34.89 2k11 s GLU 2 CO 0.00 -0.44 0.94 -1.12 -0.54 0.00 0.00 175.26 174.10 2k11 s SER 3 N -2.71 4.55 -0.02 -1.70 0.01 -1.26 -5.04 113.70 107.53 2k11 s SER 3 Ca 0.09 -0.55 -0.05 0.00 1.31 0.00 0.00 55.95 56.75 2k11 s SER 3 Cb -0.01 0.13 -0.03 0.00 0.21 0.00 0.00 66.02 66.33 2k11 s SER 3 CO -0.04 -1.72 0.38 -0.09 0.41 0.00 0.00 173.24 172.18 2k11 h ARG 4 N -0.32 -0.17 -0.68 12.44 9.65 -2.01 -3.21 114.38 130.08 2k11 h ARG 4 Ca -0.34 0.01 0.20 0.00 -1.10 0.00 0.00 59.98 58.75 2k11 h ARG 4 Cb 1.27 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.86 2k11 h ARG 4 CO 0.40 -0.12 0.49 0.00 2.80 0.00 0.00 179.97 183.55 2k11 h ALA 5 N -1.62 2.63 -0.35 2.80 0.00 -1.91 -0.90 119.26 119.91 2k11 h ALA 5 Ca -0.02 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2k11 h ALA 5 Cb 0.14 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2k11 h ALA 5 CO 0.03 -0.84 0.15 0.87 0.00 0.00 0.00 179.25 179.46 2k11 h LYS 6 N 0.00 0.31 -0.83 0.00 1.57 -1.93 -1.53 116.57 114.16 2k11 h LYS 6 Ca 0.32 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.15 2k11 h LYS 6 Cb 1.31 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.49 2k11 h LYS 6 CO -0.00 0.21 0.54 0.87 -0.57 0.00 0.00 179.45 180.49 2k11 h LYS 7 N 0.32 0.86 -0.17 3.15 1.57 -1.16 -0.92 116.57 120.21 2k11 h LYS 7 Ca 0.15 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 2k11 h LYS 7 Cb 0.08 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2k11 h LYS 7 CO -0.12 0.57 -0.37 0.35 -0.57 0.00 0.00 179.45 179.31 2k11 h PHE 8 N 0.89 0.43 0.84 -1.35 3.57 -1.34 -2.24 116.94 117.73 2k11 h PHE 8 Ca 0.36 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 2k11 h PHE 8 Cb 0.26 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 38.91 2k11 h PHE 8 CO -0.00 0.70 -0.40 1.96 -2.23 0.00 0.00 178.31 178.33 2k11 h GLN 9 N 0.32 -1.08 -0.26 1.11 7.50 -0.21 -2.38 115.11 120.10 2k11 h GLN 9 Ca 0.03 0.07 0.00 0.00 0.50 0.00 0.00 58.65 59.26 2k11 h GLN 9 Cb 0.80 0.25 0.00 0.00 0.05 0.00 0.00 27.48 28.57 2k11 h GLN 9 CO 0.06 -0.71 0.00 0.54 -1.50 0.00 0.00 178.83 177.22 2k11 n ARG 10 N -5.55 0.93 -0.07 1.46 1.74 -1.01 -1.86 116.66 112.30 2k11 n ARG 10 Ca -0.15 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.87 2k11 n ARG 10 Cb 0.45 -1.13 -0.02 0.00 -1.02 0.00 0.00 32.46 30.74 2k11 n ARG 10 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2k11 n GLN 11 N -0.35 0.43 -0.01 5.56 1.13 -0.85 -4.88 117.38 118.41 2k11 n GLN 11 Ca 0.00 0.24 -0.01 0.00 -1.94 0.00 0.00 57.00 55.29 2k11 n GLN 11 Cb 0.06 -1.33 -0.02 0.00 0.11 0.00 0.00 30.24 29.07 2k11 n GLN 11 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2k11 n HIS 12 N -4.15 0.00 -2.26 1.08 -0.00 -0.97 -4.86 115.22 104.07 2k11 n HIS 12 Ca -0.10 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.21 2k11 n HIS 12 Cb 0.39 -0.10 -0.03 0.00 -0.00 0.00 0.00 29.99 30.25 2k11 n HIS 12 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2k11 s MET 13 N -2.05 2.99 -0.13 -0.41 -1.94 -0.78 0.20 119.30 117.18 2k11 s MET 13 Ca -0.02 0.41 0.15 0.00 -1.71 0.00 0.00 55.69 54.52 2k11 s MET 13 Cb 0.01 -4.25 0.42 0.00 2.01 0.00 0.00 34.83 33.01 2k11 s MET 13 CO 0.08 -2.33 1.32 -0.40 -0.01 0.00 0.00 175.02 173.68 2k11 n ASP 14 N 10.93 3.33 -0.22 3.03 5.75 0.19 -4.27 116.55 135.29 2k11 n ASP 14 Ca 0.14 -2.82 0.14 0.00 -0.01 0.00 0.00 54.79 52.25 2k11 n ASP 14 Cb 0.50 -0.44 0.27 0.00 -1.03 0.00 0.00 41.12 40.42 2k11 n ASP 14 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2k11 n SER 15 N -0.53 0.03 -0.32 -1.12 3.41 -0.37 0.11 113.62 114.82 2k11 n SER 15 Ca 0.18 1.12 0.02 0.00 -0.26 0.00 0.00 58.87 59.92 2k11 n SER 15 Cb 0.73 -0.46 0.08 0.00 -0.26 0.00 0.00 64.21 64.31 2k11 n SER 15 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2k11 h ASP 16 N 0.00 -1.05 -3.30 4.04 1.82 -1.88 -3.41 116.42 112.65 2k11 h ASP 16 Ca 0.46 0.28 -0.40 0.00 -0.39 0.00 0.00 57.03 56.98 2k11 h ASP 16 Cb 1.07 0.62 0.20 0.00 0.68 0.00 0.00 39.33 41.91 2k11 h ASP 16 CO -0.59 -0.30 0.02 -0.44 -1.61 0.00 0.00 179.24 176.33 2k11 s SER 17 N -5.27 0.08 0.13 2.28 0.01 0.29 -5.05 113.70 106.18 2k11 s SER 17 Ca -0.14 0.76 0.04 0.00 1.31 0.00 0.00 55.95 57.92 2k11 s SER 17 Cb 0.23 -1.07 -0.04 0.00 0.21 0.00 0.00 66.02 65.35 2k11 s SER 17 CO 0.74 -4.65 0.13 -0.44 0.41 0.00 0.00 173.24 169.43 2k11 s SER 18 N -3.53 5.60 0.53 2.44 0.01 -1.26 -5.02 113.70 112.47 2k11 s SER 18 Ca 0.70 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.90 2k11 s SER 18 Cb -0.12 -1.50 0.00 0.00 0.21 0.00 0.00 66.02 64.61 2k11 s SER 18 CO 0.57 0.10 0.00 -0.81 0.41 0.00 0.00 173.24 173.51 2k11 n PRO 19 N -0.10 -0.07 -3.29 12.44 -0.04 -1.26 -4.61 135.00 138.07 2k11 n PRO 19 Ca -0.08 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.22 2k11 n PRO 19 Cb 0.54 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.07 2k11 n PRO 19 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2k11 n SER 20 N -1.59 -2.84 -4.43 3.54 2.88 -1.26 -4.95 113.62 104.97 2k11 n SER 20 Ca 0.00 -0.53 -0.44 0.00 -1.33 0.00 0.00 58.87 56.58 2k11 n SER 20 Cb 0.00 -4.53 -0.05 0.00 -0.75 0.00 0.00 64.21 58.88 2k11 n SER 20 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2k11 s SER 21 N -4.00 6.21 -0.02 -3.46 0.01 -1.26 -4.78 113.70 106.39 2k11 s SER 21 Ca 0.11 -1.07 0.01 0.00 1.31 0.00 0.00 55.95 56.30 2k11 s SER 21 Cb -0.05 -2.34 -0.02 0.00 0.21 0.00 0.00 66.02 63.82 2k11 s SER 21 CO 0.64 -1.16 -0.02 -1.54 0.41 0.00 0.00 173.24 171.57 2k11 n SER 22 N 6.79 3.93 -2.78 2.44 3.41 -1.26 -3.09 113.62 123.06 2k11 n SER 22 Ca -0.06 -0.01 -0.05 0.00 -0.26 0.00 0.00 58.87 58.49 2k11 n SER 22 Cb 0.44 0.07 0.04 0.00 -0.26 0.00 0.00 64.21 64.51 2k11 n SER 22 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2k11 n SER 23 N -2.48 -1.52 0.00 4.04 7.64 -1.26 -4.55 113.62 115.49 2k11 n SER 23 Ca -0.04 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.37 2k11 n SER 23 Cb 0.55 -0.16 0.01 0.00 -1.01 0.00 0.00 64.21 63.60 2k11 n SER 23 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k11 n THR 24 N -3.05 0.00 -0.21 0.44 -2.24 -1.26 -3.99 114.28 103.97 2k11 n THR 24 Ca 0.02 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 62.01 2k11 n THR 24 Cb 0.09 -0.45 0.37 0.00 -2.10 0.00 0.00 70.33 68.25 2k11 n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k11 n TYR 25 N -0.53 0.64 0.16 4.78 4.19 -1.26 0.52 117.16 125.66 2k11 n TYR 25 Ca 0.00 0.65 -0.07 0.00 3.31 0.00 0.00 57.90 61.79 2k11 n TYR 25 Cb 0.00 -1.08 -0.03 0.00 0.49 0.00 0.00 39.34 38.72 2k11 n TYR 25 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2k11 n ASN 27 N -4.57 -0.26 -0.02 0.00 2.85 0.18 -0.92 115.26 112.52 2k11 n ASN 27 Ca -0.06 1.03 -0.03 0.00 -0.11 0.00 0.00 54.58 55.42 2k11 n ASN 27 Cb 0.19 -0.29 -0.02 0.00 1.24 0.00 0.00 39.78 40.89 2k11 n ASN 27 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 2k11 h GLN 28 N 0.00 -0.07 -0.01 1.20 7.50 -1.56 -3.31 115.11 118.86 2k11 h GLN 28 Ca 0.27 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.42 2k11 h GLN 28 Cb 0.42 0.02 -0.00 0.00 0.05 0.00 0.00 27.48 27.96 2k11 h GLN 28 CO -0.61 0.07 -0.01 -1.33 -1.50 0.00 0.00 178.83 175.45 2k11 n MET 29 N -4.81 -0.01 -0.43 1.46 2.81 0.28 0.24 117.12 116.66 2k11 n MET 29 Ca -0.02 0.68 0.36 0.00 -1.81 0.00 0.00 57.70 56.91 2k11 n MET 29 Cb 0.08 -1.02 0.64 0.00 -0.71 0.00 0.00 33.22 32.21 2k11 n MET 29 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 2k11 h MET 30 N 0.00 0.11 0.06 0.03 2.86 -1.34 1.41 114.93 118.06 2k11 h MET 30 Ca 0.00 -0.01 -0.24 0.00 -2.06 0.00 0.00 59.70 57.40 2k11 h MET 30 Cb 0.00 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 2k11 h MET 30 CO -0.01 0.07 -1.07 -0.09 1.06 0.00 0.00 176.91 176.87 2k11 h ARG 31 N 0.12 0.18 0.00 1.72 2.43 0.30 -3.15 114.38 115.97 2k11 h ARG 31 Ca 0.79 -0.27 -0.06 0.00 -0.81 0.00 0.00 59.98 59.64 2k11 h ARG 31 Cb 2.47 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 32.11 2k11 h ARG 31 CO -0.39 1.09 -0.28 -0.09 -1.51 0.00 0.00 179.97 178.79 2k11 h ARG 32 N 0.07 0.00 -0.26 0.20 2.43 0.84 -2.53 114.38 115.13 2k11 h ARG 32 Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2k11 h ARG 32 Cb 1.79 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.34 2k11 h ARG 32 CO 0.16 0.28 0.00 0.54 -1.51 0.00 0.00 179.97 179.44 2k11 n ARG 33 N -3.56 0.97 -3.58 0.20 5.12 -0.01 -4.85 116.66 110.96 2k11 n ARG 33 Ca -0.01 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.70 2k11 n ARG 33 Cb 0.42 -1.13 0.07 0.00 -1.16 0.00 0.00 32.46 30.67 2k11 n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2k11 n ASN 34 N -0.36 -3.91 -0.00 0.55 2.85 -0.95 -4.89 115.26 108.54 2k11 n ASN 34 Ca 0.00 -0.63 0.01 0.00 -0.11 0.00 0.00 54.58 53.85 2k11 n ASN 34 Cb 0.06 -4.83 -0.01 0.00 1.24 0.00 0.00 39.78 36.24 2k11 n ASN 34 CO 0.00 0.00 0.00 0.80 -2.11 0.00 0.00 177.26 175.95 2k11 n MET 35 N -4.55 4.46 -0.13 1.20 1.56 -1.19 -4.62 117.12 113.85 2k11 n MET 35 Ca -0.14 -0.01 0.08 0.00 -0.27 0.00 0.00 57.70 57.36 2k11 n MET 35 Cb 0.61 -0.73 0.14 0.00 2.15 0.00 0.00 33.22 35.39 2k11 n MET 35 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 2k11 n THR 36 N -1.21 1.78 0.19 1.12 -2.24 -1.25 -4.57 114.28 108.10 2k11 n THR 36 Ca 0.00 -1.94 0.05 0.00 -2.27 0.00 0.00 64.05 59.89 2k11 n THR 36 Cb 0.04 -0.09 0.34 0.00 -2.10 0.00 0.00 70.33 68.52 2k11 n THR 36 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2k11 h GLN 37 N 0.41 0.00 0.00 -0.78 1.08 -1.84 -3.37 115.11 110.62 2k11 h GLN 37 Ca 0.00 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.98 2k11 h GLN 37 Cb 0.99 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.39 2k11 h GLN 37 CO 0.04 0.38 -1.64 0.41 -0.95 0.00 0.00 178.83 177.07 2k11 n GLY 38 N 0.19 -0.26 3.56 3.46 0.00 -1.26 -5.09 105.19 105.78 2k11 n GLY 38 Ca -0.00 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 2k11 n GLY 38 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k11 s ARG 39 N -2.31 1.98 -0.44 1.61 1.70 -1.26 -5.09 118.95 115.13 2k11 s ARG 39 Ca -0.20 -2.22 -0.12 0.00 -0.47 0.00 0.00 55.73 52.72 2k11 s ARG 39 Cb 0.07 -0.77 0.08 0.00 -0.57 0.00 0.00 34.95 33.76 2k11 s ARG 39 CO 0.26 -0.46 0.31 0.00 -1.08 0.00 0.00 175.30 174.34 2k11 n LYS 41 N 5.03 1.66 -0.01 0.00 3.00 -1.26 -4.84 118.16 121.74 2k11 n LYS 41 Ca -0.11 0.59 -0.13 0.00 -0.00 0.00 0.00 58.31 58.66 2k11 n LYS 41 Cb 0.43 -2.12 -0.10 0.00 0.00 0.00 0.00 35.03 33.24 2k11 n LYS 41 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2k11 h PRO 42 N 3.21 0.01 -2.13 1.64 0.13 -1.96 -3.42 132.00 129.47 2k11 h PRO 42 Ca -0.43 -0.01 0.14 0.00 -0.87 0.00 0.00 66.00 64.83 2k11 h PRO 42 Cb 1.31 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.28 2k11 h PRO 42 CO 0.69 0.49 0.55 0.54 -0.23 0.00 0.00 178.00 180.05 2k11 s VAL 43 N -4.26 0.00 0.18 1.56 0.11 -1.26 -1.49 120.40 115.24 2k11 s VAL 43 Ca -0.16 -0.03 -0.23 0.00 -2.93 0.00 0.00 61.98 58.64 2k11 s VAL 43 Cb 0.02 -1.05 0.08 0.00 -1.53 0.00 0.00 36.38 33.89 2k11 s VAL 43 CO 0.68 0.00 1.04 0.21 -3.33 0.00 0.00 175.10 173.70 2k11 s ASN 44 N -2.45 -0.01 -0.02 3.54 3.84 0.22 -4.98 114.94 115.07 2k11 s ASN 44 Ca 0.06 -0.64 0.00 0.00 0.21 0.00 0.00 52.86 52.50 2k11 s ASN 44 Cb -0.01 0.49 0.02 0.00 -0.55 0.00 0.00 41.25 41.20 2k11 s ASN 44 CO -0.08 -0.96 -0.00 -0.89 -2.79 0.00 0.00 177.10 172.38 2k11 s THR 45 N -2.27 0.15 0.61 -5.21 2.01 -1.26 -1.40 115.64 108.27 2k11 s THR 45 Ca 0.21 0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.34 2k11 s THR 45 Cb -0.02 -0.22 0.10 0.00 0.01 0.00 0.00 72.50 72.37 2k11 s THR 45 CO 0.05 0.11 0.85 -0.36 -0.69 0.00 0.00 174.62 174.58 2k11 s PHE 46 N 0.73 1.28 -0.14 4.92 0.08 0.70 -4.50 117.98 121.03 2k11 s PHE 46 Ca -0.07 -0.70 -0.06 0.00 0.12 0.00 0.00 56.93 56.23 2k11 s PHE 46 Cb -0.10 -2.32 0.07 0.00 -0.57 0.00 0.00 43.02 40.10 2k11 s PHE 46 CO -0.01 -1.32 0.31 0.08 -0.10 0.00 0.00 175.22 174.17 2k11 s VAL 47 N -2.77 -0.37 -0.82 -0.44 1.01 0.53 -2.71 120.40 114.83 2k11 s VAL 47 Ca 0.63 0.22 0.10 0.00 0.00 0.00 0.00 61.98 62.93 2k11 s VAL 47 Cb -0.05 -0.50 0.51 0.00 0.00 0.00 0.00 36.38 36.34 2k11 s VAL 47 CO 0.40 0.09 1.31 1.41 0.00 0.00 0.00 175.10 178.32 2k11 n HIS 48 N 5.07 1.20 -4.21 5.22 8.25 -0.49 0.55 115.22 130.82 2k11 n HIS 48 Ca -0.11 -0.43 -0.30 0.00 -0.26 0.00 0.00 57.72 56.61 2k11 n HIS 48 Cb 0.51 -0.29 -0.09 0.00 1.12 0.00 0.00 29.99 31.24 2k11 n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2k11 s GLU 49 N -1.97 2.46 0.58 -0.41 8.01 -1.24 -4.55 118.70 121.57 2k11 s GLU 49 Ca 0.34 -0.86 -0.18 0.00 0.01 0.00 0.00 54.97 54.29 2k11 s GLU 49 Cb 0.25 -2.48 -0.04 0.00 -4.31 0.00 0.00 34.13 27.54 2k11 s GLU 49 CO 0.13 0.55 1.12 -1.25 0.01 0.00 0.00 175.26 175.81 2k11 s PRO 50 N -2.12 3.19 0.07 0.39 0.04 -1.26 -4.22 135.00 131.09 2k11 s PRO 50 Ca 0.23 1.55 -0.33 0.00 0.04 0.00 0.00 61.00 62.49 2k11 s PRO 50 Cb -0.11 -1.99 -0.16 0.00 0.04 0.00 0.00 34.50 32.27 2k11 s PRO 50 CO 0.15 -0.96 1.50 1.25 0.04 0.00 0.00 177.00 178.98 2k11 h LEU 51 N 0.86 -1.21 -0.82 -3.56 5.85 -1.99 -2.18 115.31 112.25 2k11 h LEU 51 Ca -0.49 0.09 0.29 0.00 0.84 0.00 0.00 57.88 58.61 2k11 h LEU 51 Cb 1.26 0.39 -0.09 0.00 0.37 0.00 0.00 40.66 42.59 2k11 h LEU 51 CO 0.56 -0.63 0.53 0.55 -0.34 0.00 0.00 178.44 179.11 2k11 n VAL 52 N -5.22 -0.16 0.18 1.05 3.14 -1.26 0.14 118.33 116.20 2k11 n VAL 52 Ca -0.12 1.10 -0.11 0.00 -2.96 0.00 0.00 64.34 62.25 2k11 n VAL 52 Cb 0.43 -1.80 -0.06 0.00 -1.06 0.00 0.00 33.84 31.35 2k11 n VAL 52 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 2k11 h ASP 53 N 0.00 -0.44 -1.01 6.55 1.82 -1.78 -2.94 116.42 118.63 2k11 h ASP 53 Ca 0.53 -0.11 0.08 0.00 -0.39 0.00 0.00 57.03 57.15 2k11 h ASP 53 Cb 1.70 0.11 -0.07 0.00 0.68 0.00 0.00 39.33 41.75 2k11 h ASP 53 CO -0.29 -0.00 0.65 0.58 -1.61 0.00 0.00 179.24 178.56 2k11 h VAL 54 N -1.01 1.03 -0.27 2.25 2.07 0.13 -2.29 116.25 118.16 2k11 h VAL 54 Ca -0.05 -0.39 0.05 0.00 0.82 0.00 0.00 66.70 67.14 2k11 h VAL 54 Cb 0.52 -0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.05 2k11 h VAL 54 CO 0.09 0.20 -0.07 1.56 0.02 0.00 0.00 177.57 179.37 2k11 h GLN 55 N 1.12 -0.00 -1.13 1.57 4.20 -0.97 -0.62 115.11 119.28 2k11 h GLN 55 Ca 0.46 0.00 0.32 0.00 0.06 0.00 0.00 58.65 59.49 2k11 h GLN 55 Cb 0.28 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.99 2k11 h GLN 55 CO -0.20 -0.00 0.79 -0.91 -0.67 0.00 0.00 178.83 177.83 2k11 h ASN 56 N -0.00 0.16 -0.86 1.46 2.35 -1.22 0.25 115.58 117.72 2k11 h ASN 56 Ca 0.13 0.03 0.08 0.00 -0.55 0.00 0.00 56.30 55.99 2k11 h ASN 56 Cb 0.20 0.01 -0.07 0.00 0.05 0.00 0.00 38.32 38.51 2k11 h ASN 56 CO -0.28 0.02 0.52 0.58 -1.65 0.00 0.00 177.43 176.62 2k11 h VAL 57 N 0.13 0.98 0.00 2.81 2.07 -1.11 0.22 116.25 121.35 2k11 h VAL 57 Ca 0.58 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.79 2k11 h VAL 57 Cb 2.01 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2k11 h VAL 57 CO -0.12 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.63 2k11 n PHE 59 N -2.71 0.07 -0.10 0.00 3.72 0.45 -4.69 117.46 114.19 2k11 n PHE 59 Ca -0.02 -0.10 -0.13 0.00 -0.05 0.00 0.00 57.45 57.16 2k11 n PHE 59 Cb 0.10 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.59 2k11 n PHE 59 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2k11 n GLN 60 N 0.42 0.53 -4.24 -1.08 6.02 0.49 -5.07 117.38 114.44 2k11 n GLN 60 Ca 0.05 0.31 -0.15 0.00 -0.01 0.00 0.00 57.00 57.21 2k11 n GLN 60 Cb 0.24 -1.52 -0.09 0.00 1.02 0.00 0.00 30.24 29.88 2k11 n GLN 60 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2k11 s GLU 61 N -2.66 1.38 0.06 -1.09 2.56 -0.86 -5.04 118.70 113.05 2k11 s GLU 61 Ca -0.28 -1.76 0.02 0.00 0.00 0.00 0.00 54.97 52.96 2k11 s GLU 61 Cb 0.06 0.23 -0.03 0.00 2.00 0.00 0.00 34.13 36.39 2k11 s GLU 61 CO 0.41 -0.46 -0.07 -1.59 -0.56 0.00 0.00 175.26 172.99 2k11 s LYS 62 N -3.95 0.62 0.22 4.30 0.00 -1.26 -4.42 119.74 115.25 2k11 s LYS 62 Ca 0.39 -0.93 0.01 0.00 0.00 0.00 0.00 55.97 55.45 2k11 s LYS 62 Cb 0.06 -0.26 -0.05 0.00 0.00 0.00 0.00 37.83 37.57 2k11 s LYS 62 CO 0.16 0.03 0.08 0.14 0.00 0.00 0.00 175.35 175.76 2k11 s VAL 63 N -2.03 0.48 0.65 1.79 -7.23 -0.16 -4.76 120.40 109.13 2k11 s VAL 63 Ca -0.04 -1.99 -0.01 0.00 -1.81 0.00 0.00 61.98 58.14 2k11 s VAL 63 Cb -0.06 -2.45 0.08 0.00 0.56 0.00 0.00 36.38 34.51 2k11 s VAL 63 CO -0.01 -0.15 0.90 -0.89 -0.31 0.00 0.00 175.10 174.64 2k11 s THR 64 N -3.81 2.38 0.11 5.32 2.01 -1.26 -4.25 115.64 116.14 2k11 s THR 64 Ca 0.34 -0.59 -0.08 0.00 0.31 0.00 0.00 61.69 61.67 2k11 s THR 64 Cb 0.07 -2.79 -0.01 0.00 0.01 0.00 0.00 72.50 69.78 2k11 s THR 64 CO 0.10 0.00 0.21 0.00 -0.69 0.00 0.00 174.62 174.24 2k11 n LYS 66 N -0.10 -0.26 0.18 0.00 5.02 -1.26 0.24 118.16 121.98 2k11 n LYS 66 Ca -0.13 1.06 0.06 0.00 -2.02 0.00 0.00 58.31 57.29 2k11 n LYS 66 Cb 0.63 -1.56 0.56 0.00 -0.02 0.00 0.00 35.03 34.63 2k11 n LYS 66 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2k11 h ASN 67 N 0.00 0.14 0.00 4.39 -1.24 -2.05 -3.46 115.58 113.36 2k11 h ASN 67 Ca 0.09 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.10 2k11 h ASN 67 Cb 0.24 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.25 2k11 h ASN 67 CO -0.55 0.12 0.00 0.61 -1.29 0.00 0.00 177.43 176.32 2k11 n GLY 68 N -1.46 1.87 3.83 1.57 0.00 0.65 -5.12 105.19 106.54 2k11 n GLY 68 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 2k11 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k11 s GLN 69 N -0.79 2.97 -0.40 1.61 -1.52 -1.26 -4.76 119.66 115.51 2k11 s GLN 69 Ca 0.00 -1.00 -0.00 0.00 -1.95 0.00 0.00 55.36 52.41 2k11 s GLN 69 Cb 0.00 -2.61 0.32 0.00 -0.22 0.00 0.00 33.01 30.51 2k11 s GLN 69 CO 0.00 0.42 1.93 0.41 -0.25 0.00 0.00 175.29 177.80 2k11 n GLY 70 N -1.07 4.46 0.02 3.09 0.00 -1.26 -3.35 105.19 107.07 2k11 n GLY 70 Ca -0.08 -1.32 0.13 0.00 0.00 0.00 0.00 46.02 44.75 2k11 n GLY 70 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k11 n ASN 71 N -0.18 0.30 -4.63 1.61 6.94 -1.26 -4.84 115.26 113.19 2k11 n ASN 71 Ca 0.40 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.67 2k11 n ASN 71 Cb 0.75 -0.10 -0.09 0.00 -2.36 0.00 0.00 39.78 37.98 2k11 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k11 s TYR 73 N -1.26 0.00 -0.05 0.00 1.51 -0.63 -0.99 117.35 115.93 2k11 s TYR 73 Ca 0.24 -0.33 0.05 0.00 -1.01 0.00 0.00 57.07 56.01 2k11 s TYR 73 Cb -0.11 0.06 -0.02 0.00 -0.11 0.00 0.00 41.96 41.77 2k11 s TYR 73 CO 0.16 -0.57 -0.18 0.15 -1.11 0.00 0.00 175.55 174.00 2k11 s LYS 74 N -3.48 2.50 0.09 -0.62 1.02 -1.26 -2.14 119.74 115.84 2k11 s LYS 74 Ca 0.02 -0.78 -0.31 0.00 0.02 0.00 0.00 55.97 54.92 2k11 s LYS 74 Cb 0.03 -2.30 -0.09 0.00 -0.52 0.00 0.00 37.83 34.95 2k11 s LYS 74 CO -0.09 0.54 1.61 -1.54 -0.92 0.00 0.00 175.35 174.95 2k11 s SER 75 N -0.53 6.62 0.00 2.83 1.04 -0.58 -4.44 113.70 118.64 2k11 s SER 75 Ca 0.07 2.49 0.17 0.00 0.48 0.00 0.00 55.95 59.16 2k11 s SER 75 Cb -0.11 -2.57 1.03 0.00 0.10 0.00 0.00 66.02 64.47 2k11 s SER 75 CO 0.01 -0.86 1.44 -3.20 0.98 0.00 0.00 173.24 171.61 2k11 n ASN 76 N 5.17 0.00 -3.76 7.02 4.05 -1.26 -4.64 115.26 121.84 2k11 n ASN 76 Ca 0.15 -0.56 -0.13 0.00 0.45 0.00 0.00 54.58 54.49 2k11 n ASN 76 Cb 0.40 0.00 -0.11 0.00 1.23 0.00 0.00 39.78 41.30 2k11 n ASN 76 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 2k11 s SER 77 N -1.99 -0.33 0.60 1.20 1.04 -1.26 -5.06 113.70 107.90 2k11 s SER 77 Ca 0.26 0.64 -0.18 0.00 0.48 0.00 0.00 55.95 57.15 2k11 s SER 77 Cb 0.12 0.64 -0.06 0.00 0.10 0.00 0.00 66.02 66.81 2k11 s SER 77 CO 0.20 -0.12 0.73 -1.54 0.98 0.00 0.00 173.24 173.49 2k11 n SER 78 N 3.07 -0.24 -3.84 7.02 3.41 -1.26 -4.57 113.62 117.21 2k11 n SER 78 Ca -0.14 0.75 -0.13 0.00 -0.26 0.00 0.00 58.87 59.09 2k11 n SER 78 Cb 0.57 -1.28 -0.14 0.00 -0.26 0.00 0.00 64.21 63.10 2k11 n SER 78 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2k11 s MET 79 N -2.46 -0.00 0.34 4.33 -1.94 -0.57 -4.79 119.30 114.20 2k11 s MET 79 Ca 0.72 0.07 -0.29 0.00 -1.71 0.00 0.00 55.69 54.48 2k11 s MET 79 Cb -0.42 -0.07 -0.12 0.00 2.01 0.00 0.00 34.83 36.23 2k11 s MET 79 CO 0.51 -0.05 1.45 0.72 -0.01 0.00 0.00 175.02 177.64 2k11 n HIS 80 N 3.41 2.69 -3.80 -0.03 8.25 -1.26 -1.70 115.22 122.78 2k11 n HIS 80 Ca -0.17 0.43 -0.09 0.00 -0.26 0.00 0.00 57.72 57.63 2k11 n HIS 80 Cb 0.57 -2.51 -0.03 0.00 1.12 0.00 0.00 29.99 29.14 2k11 n HIS 80 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2k11 s ILE 81 N -0.75 0.01 -0.07 1.59 -0.00 0.10 -1.39 121.20 120.69 2k11 s ILE 81 Ca 0.58 -0.89 0.00 0.00 -0.00 0.00 0.00 60.65 60.33 2k11 s ILE 81 Cb -0.52 -1.77 0.02 0.00 -0.00 0.00 0.00 42.46 40.19 2k11 s ILE 81 CO 0.59 -0.05 -0.05 -0.89 -0.00 0.00 0.00 174.94 174.53 2k11 s THR 82 N -3.90 0.68 -0.04 8.37 2.01 -1.10 -2.24 115.64 119.42 2k11 s THR 82 Ca 0.11 -0.13 -0.28 0.00 0.31 0.00 0.00 61.69 61.70 2k11 s THR 82 Cb -0.02 -0.73 -0.03 0.00 0.01 0.00 0.00 72.50 71.73 2k11 s THR 82 CO 0.01 0.29 0.93 -0.62 -0.69 0.00 0.00 174.62 174.54 2k11 s ASP 83 N 1.39 7.26 -0.29 3.53 -1.08 -0.01 -0.22 116.67 127.25 2k11 s ASP 83 Ca -0.03 1.53 -0.00 0.00 -0.52 0.00 0.00 52.55 53.53 2k11 s ASP 83 Cb -0.13 -2.53 0.09 0.00 -1.46 0.00 0.00 42.92 38.88 2k11 s ASP 83 CO -0.03 -0.27 0.07 0.00 0.52 0.00 0.00 175.17 175.46 2k11 s ARG 85 N 1.52 1.04 -0.08 0.00 3.52 -1.11 0.71 118.95 124.55 2k11 s ARG 85 Ca 0.07 -0.44 -0.36 0.00 -0.13 0.00 0.00 55.73 54.87 2k11 s ARG 85 Cb -0.18 -1.00 -0.14 0.00 -1.56 0.00 0.00 34.95 32.08 2k11 s ARG 85 CO -0.19 0.25 1.72 1.28 -0.81 0.00 0.00 175.30 177.55 2k11 n LEU 86 N 2.83 2.85 -4.62 -0.88 4.77 -0.55 0.24 117.00 121.64 2k11 n LEU 86 Ca -0.14 1.04 -0.34 0.00 -0.03 0.00 0.00 56.01 56.54 2k11 n LEU 86 Cb 0.55 -1.29 -0.10 0.00 -2.33 0.00 0.00 43.42 40.25 2k11 n LEU 86 CO 0.25 -0.33 -0.36 0.28 -1.33 0.00 0.00 177.39 175.90 2k11 s THR 87 N 2.92 3.89 -0.90 -5.08 -1.32 -0.69 -4.55 115.64 109.91 2k11 s THR 87 Ca 0.91 -0.47 -0.05 0.00 -1.21 0.00 0.00 61.69 60.87 2k11 s THR 87 Cb -0.83 -2.63 0.01 0.00 -1.51 0.00 0.00 72.50 67.54 2k11 s THR 87 CO 0.53 0.56 0.72 -3.20 -2.21 0.00 0.00 174.62 171.01 2k11 n ASN 88 N 2.05 -4.82 -1.92 8.08 2.85 -1.26 -2.62 115.26 117.62 2k11 n ASN 88 Ca -0.17 -0.33 -0.07 0.00 -0.11 0.00 0.00 54.58 53.90 2k11 n ASN 88 Cb 0.53 -3.45 -0.01 0.00 1.24 0.00 0.00 39.78 38.09 2k11 n ASN 88 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k11 n GLY 89 N -1.45 -0.00 3.63 8.20 0.00 -1.26 -4.80 105.19 109.50 2k11 n GLY 89 Ca -0.01 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 2k11 n GLY 89 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k11 n SER 90 N -0.86 2.44 -4.29 1.61 7.64 -1.08 -4.98 113.62 114.11 2k11 n SER 90 Ca -0.08 1.10 -0.16 0.00 1.01 0.00 0.00 58.87 60.74 2k11 n SER 90 Cb 0.42 -1.31 -0.10 0.00 -1.01 0.00 0.00 64.21 62.20 2k11 n SER 90 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2k11 s ARG 91 N 0.84 1.17 0.27 1.43 6.06 -0.05 -4.75 118.95 123.92 2k11 s ARG 91 Ca 0.82 -1.51 -0.29 0.00 -2.50 0.00 0.00 55.73 52.24 2k11 s ARG 91 Cb -0.81 -0.78 -0.14 0.00 0.06 0.00 0.00 34.95 33.28 2k11 s ARG 91 CO 0.43 0.10 1.18 0.98 -2.50 0.00 0.00 175.30 175.49 2k11 n TYR 92 N -0.27 1.69 0.27 5.12 4.19 -1.26 0.27 117.16 127.17 2k11 n TYR 92 Ca -0.09 0.61 0.15 0.00 3.31 0.00 0.00 57.90 61.88 2k11 n TYR 92 Cb 0.61 -2.34 0.66 0.00 0.49 0.00 0.00 39.34 38.76 2k11 n TYR 92 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 2k11 h PRO 93 N 2.83 0.00 -5.97 2.98 0.13 -1.99 -3.49 132.00 126.49 2k11 h PRO 93 Ca -0.43 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.08 2k11 h PRO 93 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2k11 h PRO 93 CO 0.66 0.06 1.46 0.09 -0.23 0.00 0.00 178.00 180.05 2k11 n ASN 94 N -3.20 2.63 -0.23 1.44 5.03 0.78 -4.79 115.26 116.92 2k11 n ASN 94 Ca 0.00 0.28 0.08 0.00 0.87 0.00 0.00 54.58 55.81 2k11 n ASN 94 Cb 0.32 -1.40 0.14 0.00 -1.02 0.00 0.00 39.78 37.82 2k11 n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k11 n ALA 96 N -1.04 0.97 -3.14 0.00 0.00 -1.26 -4.60 120.51 111.44 2k11 n ALA 96 Ca 0.14 -0.12 -0.24 0.00 0.00 0.00 0.00 53.44 53.21 2k11 n ALA 96 Cb 0.62 -2.55 0.06 0.00 0.00 0.00 0.00 19.45 17.57 2k11 n ALA 96 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2k11 n TYR 97 N 10.23 -2.10 -3.79 0.00 4.01 -1.26 -1.70 117.16 122.54 2k11 n TYR 97 Ca 0.43 -2.12 -0.37 0.00 -0.16 0.00 0.00 57.90 55.69 2k11 n TYR 97 Cb 0.23 -0.53 -0.13 0.00 -0.31 0.00 0.00 39.34 38.59 2k11 n TYR 97 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2k11 s ARG 98 N -4.56 2.87 -0.62 -0.72 1.81 0.65 -4.44 118.95 113.94 2k11 s ARG 98 Ca 0.57 -1.00 -0.23 0.00 -1.72 0.00 0.00 55.73 53.35 2k11 s ARG 98 Cb -0.05 -3.33 0.06 0.00 -0.45 0.00 0.00 34.95 31.18 2k11 s ARG 98 CO 0.36 -0.52 0.96 0.99 -0.68 0.00 0.00 175.30 176.41 2k11 s THR 99 N 1.43 4.33 -0.43 0.02 2.01 -1.24 -2.75 115.64 119.01 2k11 s THR 99 Ca 0.00 -0.12 -0.05 0.00 0.31 0.00 0.00 61.69 61.84 2k11 s THR 99 Cb -0.18 -4.63 0.11 0.00 0.01 0.00 0.00 72.50 67.81 2k11 s THR 99 CO 0.01 -1.34 0.25 -0.55 -0.69 0.00 0.00 174.62 172.31 2k11 s SER 100 N 3.37 5.41 0.11 3.53 0.15 0.43 -4.52 113.70 122.19 2k11 s SER 100 Ca 0.25 -2.00 -0.31 0.00 0.70 0.00 0.00 55.95 54.59 2k11 s SER 100 Cb -0.15 -1.89 -0.08 0.00 -1.71 0.00 0.00 66.02 62.19 2k11 s SER 100 CO 0.13 -0.60 1.36 -2.16 1.20 0.00 0.00 173.24 173.18 2k11 s PRO 101 N 1.21 4.34 0.00 5.44 0.04 -1.18 -0.83 135.00 144.02 2k11 s PRO 101 Ca 0.07 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 62.86 2k11 s PRO 101 Cb -0.24 -3.26 0.10 0.00 0.04 0.00 0.00 34.50 31.15 2k11 s PRO 101 CO -0.03 -0.40 0.94 0.21 0.04 0.00 0.00 177.00 177.76 2k11 s LYS 102 N 1.02 0.81 -0.11 4.56 2.20 -0.95 -4.97 119.74 122.30 2k11 s LYS 102 Ca 0.63 -0.33 -0.03 0.00 -0.36 0.00 0.00 55.97 55.88 2k11 s LYS 102 Cb -0.36 0.35 0.04 0.00 -1.51 0.00 0.00 37.83 36.36 2k11 s LYS 102 CO 0.31 -0.36 0.05 -1.21 -0.36 0.00 0.00 175.35 173.77 2k11 s GLU 103 N -3.06 0.27 0.29 4.03 8.01 -1.26 -0.72 118.70 126.26 2k11 s GLU 103 Ca 0.07 0.04 -0.20 0.00 0.01 0.00 0.00 54.97 54.89 2k11 s GLU 103 Cb -0.01 -1.28 0.04 0.00 -4.31 0.00 0.00 34.13 28.58 2k11 s GLU 103 CO -0.07 -0.47 0.80 0.50 0.01 0.00 0.00 175.26 176.03 2k11 s ARG 104 N 2.05 1.83 1.12 1.61 6.06 -0.69 -4.71 118.95 126.23 2k11 s ARG 104 Ca 0.03 -1.09 -0.18 0.00 -2.50 0.00 0.00 55.73 51.99 2k11 s ARG 104 Cb -0.14 0.57 0.14 0.00 0.06 0.00 0.00 34.95 35.59 2k11 s ARG 104 CO -0.06 -0.85 0.14 0.72 -2.50 0.00 0.00 175.30 172.75 2k11 n HIS 105 N -0.50 -1.80 -3.48 5.12 8.25 -1.24 -1.52 115.22 120.05 2k11 n HIS 105 Ca -0.06 0.04 -0.12 0.00 -0.26 0.00 0.00 57.72 57.32 2k11 n HIS 105 Cb 0.60 -1.50 -0.03 0.00 1.12 0.00 0.00 29.99 30.18 2k11 n HIS 105 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2k11 s ILE 106 N -2.18 0.02 -0.12 1.59 -4.36 -1.26 -1.92 121.20 112.97 2k11 s ILE 106 Ca 0.52 -0.15 0.01 0.00 -0.26 0.00 0.00 60.65 60.77 2k11 s ILE 106 Cb -0.10 -1.04 0.02 0.00 1.25 0.00 0.00 42.46 42.58 2k11 s ILE 106 CO 0.57 -0.09 -0.15 -0.63 0.24 0.00 0.00 174.94 174.89 2k11 s ILE 107 N -3.76 1.52 0.18 8.37 1.09 -0.34 -1.52 121.20 126.73 2k11 s ILE 107 Ca 0.01 -0.64 0.03 0.00 -1.10 0.00 0.00 60.65 58.95 2k11 s ILE 107 Cb -0.00 -1.40 -0.05 0.00 -1.06 0.00 0.00 42.46 39.96 2k11 s ILE 107 CO -0.13 0.45 -0.03 0.68 -0.10 0.00 0.00 174.94 175.81 2k11 s VAL 108 N 1.09 0.92 -0.40 2.92 -7.23 -0.91 -1.40 120.40 115.38 2k11 s VAL 108 Ca -0.04 -2.02 -0.04 0.00 -1.81 0.00 0.00 61.98 58.07 2k11 s VAL 108 Cb -0.14 -2.08 0.10 0.00 0.56 0.00 0.00 36.38 34.82 2k11 s VAL 108 CO -0.03 -0.53 0.21 0.00 -0.31 0.00 0.00 175.10 174.43 2k11 s ALA 109 N -3.49 3.16 0.24 1.32 0.00 0.78 -1.60 121.76 122.17 2k11 s ALA 109 Ca 0.22 -2.38 -0.08 0.00 0.00 0.00 0.00 51.96 49.72 2k11 s ALA 109 Cb 0.05 -2.44 -0.07 0.00 0.00 0.00 0.00 23.12 20.66 2k11 s ALA 109 CO 0.04 -1.73 0.54 0.00 0.00 0.00 0.00 175.76 174.61 2k11 s GLU 111 N -2.97 1.34 3.08 0.00 -6.30 -0.33 -4.82 118.70 108.70 2k11 s GLU 111 Ca 0.46 -0.85 0.00 0.00 -2.50 0.00 0.00 54.97 52.08 2k11 s GLU 111 Cb -0.11 0.38 0.00 0.00 0.00 0.00 0.00 34.13 34.40 2k11 s GLU 111 CO 0.24 -0.63 0.00 0.41 0.02 0.00 0.00 175.26 175.30 2k11 n GLY 112 N -0.67 0.02 3.55 -1.50 0.00 -1.26 -3.66 105.19 101.66 2k11 n GLY 112 Ca -0.03 -1.11 -0.05 0.00 0.00 0.00 0.00 46.02 44.82 2k11 n GLY 112 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k11 s SER 113 N -4.00 -0.88 1.23 1.61 0.15 -1.26 -4.26 113.70 106.28 2k11 s SER 113 Ca 0.00 1.40 -0.19 0.00 0.70 0.00 0.00 55.95 57.86 2k11 s SER 113 Cb 0.00 1.75 0.27 0.00 -1.71 0.00 0.00 66.02 66.33 2k11 s SER 113 CO 0.00 -0.23 0.98 -0.81 1.20 0.00 0.00 173.24 174.39 2k11 n PRO 114 N 5.02 -2.94 -2.22 5.44 -0.04 -1.26 -5.03 135.00 133.97 2k11 n PRO 114 Ca -0.15 -1.57 -0.40 0.00 -0.04 0.00 0.00 63.50 61.34 2k11 n PRO 114 Cb 0.52 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 2k11 n PRO 114 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2k11 s TYR 115 N -2.77 1.94 0.07 0.54 5.04 -1.26 -4.80 117.35 116.11 2k11 s TYR 115 Ca 0.64 0.54 0.03 0.00 -2.44 0.00 0.00 57.07 55.83 2k11 s TYR 115 Cb -0.06 -4.27 -0.03 0.00 0.35 0.00 0.00 41.96 37.95 2k11 s TYR 115 CO 0.49 -2.23 -0.08 0.14 -1.34 0.00 0.00 175.55 172.52 2k11 s VAL 116 N 7.53 0.70 -0.23 3.14 -7.23 -1.24 -4.90 120.40 118.17 2k11 s VAL 116 Ca 0.58 -1.44 -0.29 0.00 -1.81 0.00 0.00 61.98 59.03 2k11 s VAL 116 Cb -0.12 -1.08 -0.02 0.00 0.56 0.00 0.00 36.38 35.72 2k11 s VAL 116 CO 0.22 -0.54 1.62 -2.16 -0.31 0.00 0.00 175.10 173.92 2k11 s PRO 117 N -2.45 3.76 0.00 4.82 0.04 -1.26 -1.19 135.00 138.73 2k11 s PRO 117 Ca -0.00 1.62 0.09 0.00 0.04 0.00 0.00 61.00 62.75 2k11 s PRO 117 Cb -0.04 -4.04 0.20 0.00 0.04 0.00 0.00 34.50 30.65 2k11 s PRO 117 CO -0.01 -1.34 1.08 1.33 0.04 0.00 0.00 177.00 178.11 2k11 n VAL 118 N 6.49 0.67 -3.65 -0.36 0.24 -0.82 -4.78 118.33 116.12 2k11 n VAL 118 Ca 0.19 -0.84 -0.13 0.00 -2.04 0.00 0.00 64.34 61.53 2k11 n VAL 118 Cb 0.45 0.73 -0.08 0.00 -1.47 0.00 0.00 33.84 33.48 2k11 n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2k11 s HIS 119 N -0.94 -0.75 -0.12 6.34 5.65 -1.10 -4.66 115.29 119.71 2k11 s HIS 119 Ca 0.17 1.77 -0.03 0.00 0.25 0.00 0.00 55.06 57.22 2k11 s HIS 119 Cb 0.10 0.29 -0.03 0.00 -1.18 0.00 0.00 32.58 31.76 2k11 s HIS 119 CO 0.13 -0.36 -0.03 0.12 -0.65 0.00 0.00 174.74 173.95 2k11 s PHE 120 N 0.54 3.06 0.00 3.88 2.19 -1.26 -0.15 117.98 126.23 2k11 s PHE 120 Ca -0.02 -0.09 0.00 0.00 0.33 0.00 0.00 56.93 57.16 2k11 s PHE 120 Cb -0.05 -1.87 0.00 0.00 -1.31 0.00 0.00 43.02 39.79 2k11 s PHE 120 CO -0.02 0.18 0.00 -3.47 1.83 0.00 0.00 175.22 173.73 2k11 n ASP 121 N 2.92 0.00 -3.60 6.13 -0.08 -0.50 -4.95 116.55 116.48 2k11 n ASP 121 Ca -0.18 0.03 -0.05 0.00 -1.51 0.00 0.00 54.79 53.09 2k11 n ASP 121 Cb 0.53 -0.31 -0.02 0.00 2.34 0.00 0.00 41.12 43.67 2k11 n ASP 121 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k11 s ALA 122 N -3.74 -1.94 0.07 -1.67 0.00 -1.18 -5.03 121.76 108.28 2k11 s ALA 122 Ca 0.00 0.96 -0.22 0.00 0.00 0.00 0.00 51.96 52.69 2k11 s ALA 122 Cb 0.00 0.29 -0.06 0.00 0.00 0.00 0.00 23.12 23.35 2k11 s ALA 122 CO 0.00 -0.79 0.68 -1.54 0.00 0.00 0.00 175.76 174.10 2k11 s SER 123 N -2.57 7.16 0.53 0.00 1.04 -1.26 -1.20 113.70 117.39 2k11 s SER 123 Ca 0.09 1.38 0.09 0.00 0.48 0.00 0.00 55.95 58.00 2k11 s SER 123 Cb -0.00 -2.42 0.06 0.00 0.10 0.00 0.00 66.02 63.76 2k11 s SER 123 CO -0.05 0.16 0.72 0.68 0.98 0.00 0.00 173.24 175.73 2k11 s VAL 124 N -0.66 2.42 -0.08 5.02 -7.23 -0.81 -4.92 120.40 114.14 2k11 s VAL 124 Ca 0.33 -0.99 0.08 0.00 -1.81 0.00 0.00 61.98 59.59 2k11 s VAL 124 Cb -0.20 -2.43 -0.12 0.00 0.56 0.00 0.00 36.38 34.19 2k11 s VAL 124 CO 0.21 0.00 0.05 -0.62 -0.31 0.00 0.00 175.10 174.43 2k11 n GLU 125 N -2.13 2.34 -3.91 4.82 4.71 -1.26 -3.68 120.64 121.53 2k11 n GLU 125 Ca 0.13 -0.01 -0.09 0.00 -0.01 0.00 0.00 57.16 57.18 2k11 n GLU 125 Cb 0.61 -1.23 -0.06 0.00 -1.01 0.00 0.00 31.44 29.75 2k11 n GLU 125 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2k11 s ASP 126 N -4.03 -0.07 0.00 1.62 1.01 -1.26 -4.77 116.67 109.16 2k11 s ASP 126 Ca -0.04 -0.78 0.20 0.00 0.71 0.00 0.00 52.55 52.63 2k11 s ASP 126 Cb 0.03 0.51 1.19 0.00 1.01 0.00 0.00 42.92 45.66 2k11 s ASP 126 CO 0.37 -1.00 1.58 -0.24 0.21 0.00 0.00 175.17 176.10