#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k11 n GLU 2 N 0.00 2.57 -3.86 1.97 2.13 -1.26 -4.98 120.64 117.21 2k11 n GLU 2 Ca 0.00 0.91 -0.10 0.00 0.66 0.00 0.00 57.16 58.63 2k11 n GLU 2 Cb 0.00 -2.65 0.01 0.00 0.27 0.00 0.00 31.44 29.07 2k11 n GLU 2 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2k11 s SER 3 N 0.29 0.14 0.19 4.31 0.15 -1.26 -5.05 113.70 112.47 2k11 s SER 3 Ca 0.62 -1.16 -0.06 0.00 0.70 0.00 0.00 55.95 56.05 2k11 s SER 3 Cb -0.52 0.81 0.12 0.00 -1.71 0.00 0.00 66.02 64.72 2k11 s SER 3 CO 0.53 -1.59 1.58 -0.09 1.20 0.00 0.00 173.24 174.86 2k11 h ARG 4 N 2.02 0.81 -1.14 5.44 2.43 -1.99 -2.89 114.38 119.05 2k11 h ARG 4 Ca -0.30 -0.36 0.33 0.00 -0.81 0.00 0.00 59.98 58.83 2k11 h ARG 4 Cb 1.25 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.73 2k11 h ARG 4 CO 0.39 0.99 0.82 0.00 -1.51 0.00 0.00 179.97 180.66 2k11 h ALA 5 N 0.99 3.05 -0.60 2.80 0.00 -1.95 -1.39 119.26 122.15 2k11 h ALA 5 Ca 0.08 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.06 2k11 h ALA 5 Cb 0.81 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.57 2k11 h ALA 5 CO 0.07 -1.38 -0.35 -0.22 0.00 0.00 0.00 179.25 177.37 2k11 h LYS 6 N 0.02 -0.16 -1.12 0.00 1.63 -1.87 0.44 116.57 115.51 2k11 h LYS 6 Ca 0.55 0.01 0.32 0.00 -0.85 0.00 0.00 60.65 60.68 2k11 h LYS 6 Cb 2.16 0.04 -0.10 0.00 -0.60 0.00 0.00 32.23 33.72 2k11 h LYS 6 CO -0.02 -0.11 0.73 0.87 -3.45 0.00 0.00 179.45 177.47 2k11 h LYS 7 N -0.16 0.28 0.00 1.90 6.56 -1.47 1.12 116.57 124.80 2k11 h LYS 7 Ca 0.23 -0.02 -0.12 0.00 -1.06 0.00 0.00 60.65 59.68 2k11 h LYS 7 Cb 0.55 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.13 2k11 h LYS 7 CO -0.69 0.18 -0.58 0.35 -2.06 0.00 0.00 179.45 176.65 2k11 h PHE 8 N 0.29 0.00 0.16 -1.35 3.57 -0.28 -2.94 116.94 116.39 2k11 h PHE 8 Ca 0.66 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 62.15 2k11 h PHE 8 Cb 1.85 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.59 2k11 h PHE 8 CO -0.00 0.58 -0.08 1.96 -2.23 0.00 0.00 178.31 178.54 2k11 h GLN 9 N 0.00 -0.21 0.00 1.11 7.50 0.21 -2.59 115.11 121.13 2k11 h GLN 9 Ca -0.01 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.16 2k11 h GLN 9 Cb 1.16 0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.74 2k11 h GLN 9 CO 0.08 0.18 0.00 0.54 -1.50 0.00 0.00 178.83 178.13 2k11 n ARG 10 N -4.99 0.74 -0.10 1.46 1.74 -0.73 -1.09 116.66 113.69 2k11 n ARG 10 Ca -0.09 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.85 2k11 n ARG 10 Cb 0.25 -1.19 -0.05 0.00 -1.02 0.00 0.00 32.46 30.45 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 -0.69 0.54 -0.01 5.56 6.02 -1.10 -4.88 117.38 122.82 2k11 n GLN 11 Ca 0.07 0.29 -0.02 0.00 -0.01 0.00 0.00 57.00 57.33 2k11 n GLN 11 Cb 0.03 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.78 2k11 n GLN 11 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2k11 n HIS 12 N -4.43 0.00 -1.89 1.08 8.25 -0.99 -4.93 115.22 112.31 2k11 n HIS 12 Ca -0.24 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.81 2k11 n HIS 12 Cb 0.58 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.56 2k11 n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2k11 s MET 13 N -2.05 2.92 -0.09 -0.41 -1.94 -0.25 -1.21 119.30 116.27 2k11 s MET 13 Ca -0.03 1.28 0.12 0.00 -1.71 0.00 0.00 55.69 55.36 2k11 s MET 13 Cb 0.01 -4.33 0.24 0.00 2.01 0.00 0.00 34.83 32.75 2k11 s MET 13 CO 0.07 -2.35 1.15 -3.47 -0.01 0.00 0.00 175.02 170.40 2k11 n ASP 14 N 12.03 2.50 -0.42 3.03 2.03 -0.31 -4.27 116.55 131.15 2k11 n ASP 14 Ca 0.25 -2.66 0.33 0.00 0.52 0.00 0.00 54.79 53.24 2k11 n ASP 14 Cb 0.49 -0.30 0.53 0.00 -0.72 0.00 0.00 41.12 41.13 2k11 n ASP 14 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2k11 n SER 15 N -0.87 0.08 -0.20 1.67 3.41 0.12 -0.28 113.62 117.55 2k11 n SER 15 Ca 0.11 0.87 -0.11 0.00 -0.26 0.00 0.00 58.87 59.48 2k11 n SER 15 Cb 0.54 -0.43 -0.09 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.69 -3.44 4.04 1.82 -1.86 -3.42 116.42 111.87 2k11 h ASP 16 Ca 0.65 0.23 -0.41 0.00 -0.39 0.00 0.00 57.03 57.12 2k11 h ASP 16 Cb 2.34 0.71 0.20 0.00 0.68 0.00 0.00 39.33 43.26 2k11 h ASP 16 CO -0.19 -0.30 0.10 -0.44 -1.61 0.00 0.00 179.24 176.81 2k11 s SER 17 N -4.86 0.66 0.40 2.28 0.01 0.62 -5.07 113.70 107.74 2k11 s SER 17 Ca -0.12 0.65 0.08 0.00 1.31 0.00 0.00 55.95 57.87 2k11 s SER 17 Cb 0.08 -0.90 -0.03 0.00 0.21 0.00 0.00 66.02 65.38 2k11 s SER 17 CO 0.53 -4.28 0.30 -0.44 0.41 0.00 0.00 173.24 169.75 2k11 s SER 18 N -3.81 4.85 0.37 2.44 0.01 -1.26 -4.95 113.70 111.35 2k11 s SER 18 Ca 0.71 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 57.14 2k11 s SER 18 Cb -0.10 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.55 2k11 s SER 18 CO 0.56 -0.57 0.00 -0.81 0.41 0.00 0.00 173.24 172.83 2k11 n PRO 19 N -1.41 0.25 -2.92 12.44 -0.04 -1.26 -4.68 135.00 137.37 2k11 n PRO 19 Ca 0.01 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.36 2k11 n PRO 19 Cb 0.62 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.14 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 -1.11 -2.56 -4.25 3.54 2.88 -1.26 -5.00 113.62 105.86 2k11 n SER 20 Ca 0.00 -0.36 -0.41 0.00 -1.33 0.00 0.00 58.87 56.77 2k11 n SER 20 Cb 0.00 -3.28 -0.09 0.00 -0.75 0.00 0.00 64.21 60.09 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 -3.69 5.69 -0.03 -3.46 0.01 -1.26 -4.85 113.70 106.11 2k11 s SER 21 Ca 0.07 -1.67 0.01 0.00 1.31 0.00 0.00 55.95 55.67 2k11 s SER 21 Cb -0.03 -2.01 -0.02 0.00 0.21 0.00 0.00 66.02 64.17 2k11 s SER 21 CO 0.44 -0.61 -0.02 -0.24 0.41 0.00 0.00 173.24 173.22 2k11 n SER 22 N 4.93 3.93 -2.82 2.44 2.88 -1.26 -3.72 113.62 120.01 2k11 n SER 22 Ca -0.09 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 2k11 n SER 22 Cb 0.42 0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2k11 n SER 22 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k11 n SER 23 N -2.48 -1.62 0.00 -3.46 7.64 -1.26 -4.32 113.62 108.12 2k11 n SER 23 Ca -0.04 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.65 2k11 n SER 23 Cb 0.55 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.76 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 -2.80 0.00 -0.29 0.44 -2.24 -1.26 -3.95 114.28 104.18 2k11 n THR 24 Ca 0.00 0.00 0.25 0.00 -2.27 0.00 0.00 64.05 62.03 2k11 n THR 24 Cb 0.00 -0.50 0.41 0.00 -2.10 0.00 0.00 70.33 68.15 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 -0.54 0.41 -0.01 4.78 4.19 -1.26 0.07 117.16 124.80 2k11 n TYR 25 Ca 0.00 0.42 -0.01 0.00 3.31 0.00 0.00 57.90 61.62 2k11 n TYR 25 Cb 0.00 -0.80 -0.00 0.00 0.49 0.00 0.00 39.34 39.03 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 -3.72 0.20 -0.03 0.00 5.15 0.11 -1.11 115.26 115.86 2k11 n ASN 27 Ca -0.01 1.01 -0.02 0.00 -0.60 0.00 0.00 54.58 54.97 2k11 n ASN 27 Cb 0.02 -0.49 -0.01 0.00 -0.53 0.00 0.00 39.78 38.77 2k11 n ASN 27 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 2k11 h GLN 28 N 0.00 0.00 -0.56 1.20 4.20 -1.50 -3.30 115.11 115.15 2k11 h GLN 28 Ca 0.55 0.00 0.05 0.00 0.06 0.00 0.00 58.65 59.31 2k11 h GLN 28 Cb 1.56 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.28 2k11 h GLN 28 CO -0.43 0.00 -0.33 -1.33 -0.67 0.00 0.00 178.83 176.06 2k11 n MET 29 N -3.24 -0.25 -0.32 1.46 2.81 -0.27 0.26 117.12 117.56 2k11 n MET 29 Ca -0.03 0.89 0.06 0.00 -1.81 0.00 0.00 57.70 56.82 2k11 n MET 29 Cb 0.10 -1.31 0.22 0.00 -0.71 0.00 0.00 33.22 31.52 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 0.78 0.57 0.03 2.86 -1.34 -1.74 114.93 116.09 2k11 h MET 30 Ca 0.09 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2k11 h MET 30 Cb 0.23 -0.18 0.01 0.00 0.06 0.00 0.00 31.60 31.72 2k11 h MET 30 CO -0.53 0.52 -0.28 -0.09 1.06 0.00 0.00 176.91 177.59 2k11 h ARG 31 N 0.80 -0.74 -0.73 1.72 2.43 0.34 -2.83 114.38 115.37 2k11 h ARG 31 Ca 0.46 0.05 0.21 0.00 -0.81 0.00 0.00 59.98 59.90 2k11 h ARG 31 Cb 0.53 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 2k11 h ARG 31 CO -0.30 -0.43 0.72 -0.09 -1.51 0.00 0.00 179.97 178.36 2k11 h ARG 32 N -1.05 0.00 -0.50 0.20 1.12 0.07 1.07 114.38 115.29 2k11 h ARG 32 Ca -0.08 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.79 2k11 h ARG 32 Cb 0.65 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.61 2k11 h ARG 32 CO 0.13 0.00 0.00 0.54 -3.11 0.00 0.00 179.97 177.53 2k11 n ARG 33 N -3.70 1.14 -3.82 0.20 5.12 -0.68 -4.86 116.66 110.06 2k11 n ARG 33 Ca 0.15 -0.15 -0.24 0.00 -1.93 0.00 0.00 57.85 55.68 2k11 n ARG 33 Cb 0.98 -1.28 0.01 0.00 -1.16 0.00 0.00 32.46 31.01 2k11 n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2k11 n ASN 34 N -0.18 -1.60 -0.00 0.55 4.13 0.37 -4.87 115.26 113.66 2k11 n ASN 34 Ca 0.01 -0.87 0.03 0.00 1.68 0.00 0.00 54.58 55.43 2k11 n ASN 34 Cb 0.16 -3.71 -0.03 0.00 -1.54 0.00 0.00 39.78 34.67 2k11 n ASN 34 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 2k11 n MET 35 N -4.38 4.64 -0.09 3.52 1.56 -1.15 -4.50 117.12 116.73 2k11 n MET 35 Ca -0.23 -0.01 0.12 0.00 -0.27 0.00 0.00 57.70 57.31 2k11 n MET 35 Cb 0.65 -0.80 0.26 0.00 2.15 0.00 0.00 33.22 35.47 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 -1.19 0.23 -2.70 1.12 -2.24 -1.26 -4.37 114.28 103.87 2k11 n THR 36 Ca 0.01 -0.53 -0.42 0.00 -2.27 0.00 0.00 64.05 60.85 2k11 n THR 36 Cb 0.09 0.94 -0.04 0.00 -2.10 0.00 0.00 70.33 69.23 2k11 n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2k11 s GLN 37 N -1.77 4.62 0.00 -0.78 -1.52 -1.26 -3.63 119.66 115.31 2k11 s GLN 37 Ca 0.34 1.45 0.00 0.00 -1.95 0.00 0.00 55.36 55.21 2k11 s GLN 37 Cb 0.21 -3.41 0.00 0.00 -0.22 0.00 0.00 33.01 29.58 2k11 s GLN 37 CO 0.30 0.06 0.00 0.41 -0.25 0.00 0.00 175.29 175.82 2k11 n GLY 38 N 2.60 1.97 3.70 3.09 0.00 -1.26 -4.88 105.19 110.41 2k11 n GLY 38 Ca 0.04 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 1.63 -0.30 1.61 1.70 -1.24 -5.13 118.95 117.23 2k11 s ARG 39 Ca 0.00 -1.06 -0.06 0.00 -0.47 0.00 0.00 55.73 54.13 2k11 s ARG 39 Cb 0.00 0.54 0.02 0.00 -0.57 0.00 0.00 34.95 34.94 2k11 s ARG 39 CO 0.00 -0.72 0.08 0.00 -1.08 0.00 0.00 175.30 173.58 2k11 n LYS 41 N 4.84 1.39 0.27 0.00 0.00 -1.26 -4.82 118.16 118.58 2k11 n LYS 41 Ca -0.14 0.44 0.16 0.00 0.00 0.00 0.00 58.31 58.76 2k11 n LYS 41 Cb 0.47 -2.50 0.66 0.00 0.00 0.00 0.00 35.03 33.66 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 11.04 0.00 -2.58 1.64 0.13 -1.95 -3.39 132.00 136.88 2k11 h PRO 42 Ca -0.36 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.81 2k11 h PRO 42 Cb 1.30 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.29 2k11 h PRO 42 CO 0.99 0.06 0.35 0.08 -0.23 0.00 0.00 178.00 179.25 2k11 s VAL 43 N -3.72 0.00 0.08 1.56 1.01 -1.26 -3.15 120.40 114.92 2k11 s VAL 43 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 61.98 61.71 2k11 s VAL 43 Cb 0.10 -1.00 0.09 0.00 0.00 0.00 0.00 36.38 35.56 2k11 s VAL 43 CO 0.56 0.00 1.04 0.21 0.00 0.00 0.00 175.10 176.91 2k11 s ASN 44 N -2.50 -0.17 -0.27 3.32 2.47 0.67 -4.93 114.94 113.52 2k11 s ASN 44 Ca 0.02 -0.27 -0.01 0.00 0.42 0.00 0.00 52.86 53.03 2k11 s ASN 44 Cb -0.01 0.38 0.16 0.00 -1.45 0.00 0.00 41.25 40.33 2k11 s ASN 44 CO -0.10 -0.69 0.46 -0.89 -3.72 0.00 0.00 177.10 172.16 2k11 s THR 45 N -3.02 -0.74 1.00 -5.21 2.01 -1.26 -0.65 115.64 107.77 2k11 s THR 45 Ca 0.12 -0.09 -0.17 0.00 0.31 0.00 0.00 61.69 61.85 2k11 s THR 45 Cb 0.00 -0.91 0.24 0.00 0.01 0.00 0.00 72.50 71.84 2k11 s THR 45 CO -0.01 -0.11 1.10 0.49 -0.69 0.00 0.00 174.62 175.40 2k11 n PHE 46 N 5.38 -3.91 -3.74 4.92 3.01 -0.45 -4.73 117.46 117.94 2k11 n PHE 46 Ca -0.01 -0.99 -0.12 0.00 1.01 0.00 0.00 57.45 57.34 2k11 n PHE 46 Cb 0.51 -0.98 -0.12 0.00 -0.01 0.00 0.00 39.48 38.87 2k11 n PHE 46 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2k11 s VAL 47 N -3.23 -0.02 -1.10 -4.37 1.01 -0.35 -2.88 120.40 109.46 2k11 s VAL 47 Ca 0.67 0.09 0.16 0.00 0.00 0.00 0.00 61.98 62.89 2k11 s VAL 47 Cb -0.04 -0.41 0.50 0.00 0.00 0.00 0.00 36.38 36.43 2k11 s VAL 47 CO 0.49 0.04 1.42 1.41 0.00 0.00 0.00 175.10 178.45 2k11 n HIS 48 N 3.76 0.86 -4.23 5.22 8.25 -0.51 0.11 115.22 128.69 2k11 n HIS 48 Ca -0.21 -0.57 -0.23 0.00 -0.26 0.00 0.00 57.72 56.45 2k11 n HIS 48 Cb 0.55 -0.10 -0.07 0.00 1.12 0.00 0.00 29.99 31.49 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 -1.42 2.38 0.66 -0.41 8.01 -1.25 -4.69 118.70 121.99 2k11 s GLU 49 Ca 0.37 -1.42 -0.15 0.00 0.01 0.00 0.00 54.97 53.79 2k11 s GLU 49 Cb 0.22 -2.20 0.00 0.00 -4.31 0.00 0.00 34.13 27.84 2k11 s GLU 49 CO 0.21 0.30 1.11 -1.25 0.01 0.00 0.00 175.26 175.63 2k11 s PRO 50 N -3.74 2.79 0.05 0.39 0.04 -1.26 -4.41 135.00 128.86 2k11 s PRO 50 Ca 0.33 1.39 -0.30 0.00 0.04 0.00 0.00 61.00 62.46 2k11 s PRO 50 Cb -0.05 -1.95 -0.18 0.00 0.04 0.00 0.00 34.50 32.36 2k11 s PRO 50 CO 0.21 -1.26 1.50 1.25 0.04 0.00 0.00 177.00 178.74 2k11 h LEU 51 N 0.00 -0.63 -0.65 -3.56 5.85 -2.00 -3.01 115.31 111.32 2k11 h LEU 51 Ca -0.47 -0.02 0.18 0.00 0.84 0.00 0.00 57.88 58.41 2k11 h LEU 51 Cb 1.25 0.16 -0.12 0.00 0.37 0.00 0.00 40.66 42.32 2k11 h LEU 51 CO 0.54 -0.38 0.02 0.55 -0.34 0.00 0.00 178.44 178.83 2k11 n VAL 52 N -5.37 -0.27 0.33 1.05 3.14 -1.26 0.49 118.33 116.44 2k11 n VAL 52 Ca -0.12 1.42 -0.17 0.00 -2.96 0.00 0.00 64.34 62.51 2k11 n VAL 52 Cb 0.32 -2.08 -0.09 0.00 -1.06 0.00 0.00 33.84 30.94 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 -1.19 -0.61 6.55 1.82 -1.92 -1.75 116.42 119.33 2k11 h ASP 53 Ca 0.40 0.08 0.13 0.00 -0.39 0.00 0.00 57.03 57.24 2k11 h ASP 53 Cb 0.82 0.37 -0.03 0.00 0.68 0.00 0.00 39.33 41.17 2k11 h ASP 53 CO -0.61 -0.65 0.41 0.58 -1.61 0.00 0.00 179.24 177.37 2k11 h VAL 54 N -1.01 0.81 -0.28 2.25 2.07 -0.00 -1.53 116.25 118.57 2k11 h VAL 54 Ca -0.08 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2k11 h VAL 54 Cb 0.84 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2k11 h VAL 54 CO 0.02 0.05 0.15 1.56 0.02 0.00 0.00 177.57 179.37 2k11 h GLN 55 N 0.26 0.39 -0.56 1.57 4.20 -0.33 -2.07 115.11 118.57 2k11 h GLN 55 Ca 0.29 -0.05 0.16 0.00 0.06 0.00 0.00 58.65 59.11 2k11 h GLN 55 Cb 0.78 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 2k11 h GLN 55 CO -0.06 0.34 0.52 -0.91 -0.67 0.00 0.00 178.83 178.05 2k11 h ASN 56 N 0.33 0.00 -0.79 1.46 2.35 -0.41 0.43 115.58 118.95 2k11 h ASN 56 Ca 0.10 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.87 2k11 h ASN 56 Cb 0.07 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.40 2k11 h ASN 56 CO -0.02 0.00 0.51 0.58 -1.65 0.00 0.00 177.43 176.85 2k11 h VAL 57 N 0.00 1.14 0.00 2.81 2.07 -1.38 -0.11 116.25 120.79 2k11 h VAL 57 Ca 0.26 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2k11 h VAL 57 Cb 1.30 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2k11 h VAL 57 CO -0.00 0.18 0.02 0.00 0.02 0.00 0.00 177.57 177.79 2k11 n PHE 59 N -2.90 0.00 -0.02 0.00 3.72 -0.22 -4.70 117.46 113.34 2k11 n PHE 59 Ca -0.03 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.36 2k11 n PHE 59 Cb 0.08 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.62 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 0.30 0.10 -4.44 -1.08 1.13 0.41 -5.07 117.38 108.74 2k11 n GLN 60 Ca 0.07 0.30 -0.23 0.00 -1.94 0.00 0.00 57.00 55.20 2k11 n GLN 60 Cb 0.32 -0.95 -0.08 0.00 0.11 0.00 0.00 30.24 29.63 2k11 n GLN 60 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2k11 s GLU 61 N -1.29 1.85 0.08 -1.09 2.12 -1.00 -5.06 118.70 114.31 2k11 s GLU 61 Ca -0.03 -2.11 0.01 0.00 0.36 0.00 0.00 54.97 53.20 2k11 s GLU 61 Cb 0.00 -0.35 -0.04 0.00 0.26 0.00 0.00 34.13 34.01 2k11 s GLU 61 CO 0.05 -0.51 -0.06 0.15 -0.54 0.00 0.00 175.26 174.35 2k11 s LYS 62 N -3.67 0.75 0.31 4.30 1.02 -1.26 -4.37 119.74 116.82 2k11 s LYS 62 Ca 0.29 -1.23 0.05 0.00 0.02 0.00 0.00 55.97 55.10 2k11 s LYS 62 Cb 0.03 -0.15 -0.03 0.00 -0.52 0.00 0.00 37.83 37.16 2k11 s LYS 62 CO 0.18 -0.02 0.28 0.14 -0.92 0.00 0.00 175.35 175.00 2k11 s VAL 63 N -3.33 0.00 0.22 3.17 -7.23 -0.21 -4.70 120.40 108.33 2k11 s VAL 63 Ca 0.08 -1.95 0.05 0.00 -1.81 0.00 0.00 61.98 58.34 2k11 s VAL 63 Cb 0.03 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 2k11 s VAL 63 CO -0.05 0.00 0.29 -0.89 -0.31 0.00 0.00 175.10 174.15 2k11 s THR 64 N -3.50 5.02 0.27 5.32 2.01 -1.26 -4.08 115.64 119.42 2k11 s THR 64 Ca 0.39 -1.05 0.02 0.00 0.31 0.00 0.00 61.69 61.36 2k11 s THR 64 Cb 0.03 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 2k11 s THR 64 CO 0.25 -0.29 0.07 0.00 -0.69 0.00 0.00 174.62 173.97 2k11 h LYS 66 N 2.34 -0.00 -0.15 0.00 1.57 -2.00 1.21 116.57 119.54 2k11 h LYS 66 Ca -0.39 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.44 2k11 h LYS 66 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 2k11 h LYS 66 CO 0.63 -0.00 0.12 -0.97 -0.57 0.00 0.00 179.45 178.66 2k11 h ASN 67 N -0.00 0.00 0.00 0.86 -1.24 -2.04 -3.45 115.58 109.70 2k11 h ASN 67 Ca 0.39 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.40 2k11 h ASN 67 Cb 0.59 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.64 2k11 h ASN 67 CO -0.84 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 175.91 2k11 n GLY 68 N -1.51 1.64 3.64 1.57 0.00 0.42 -5.11 105.19 105.84 2k11 n GLY 68 Ca 0.01 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.45 2.03 -0.58 1.61 -1.52 -1.26 -4.82 119.66 113.67 2k11 s GLN 69 Ca 0.00 -2.25 -0.03 0.00 -1.95 0.00 0.00 55.36 51.14 2k11 s GLN 69 Cb 0.00 -1.24 0.23 0.00 -0.22 0.00 0.00 33.01 31.78 2k11 s GLN 69 CO 0.00 -0.32 2.31 0.41 -0.25 0.00 0.00 175.29 177.44 2k11 n GLY 70 N -1.06 4.90 0.20 3.09 0.00 -1.26 -2.29 105.19 108.77 2k11 n GLY 70 Ca -0.12 -1.99 0.11 0.00 0.00 0.00 0.00 46.02 44.02 2k11 n GLY 70 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2k11 h ASN 71 N 2.58 0.00 -2.05 1.61 -1.24 -1.92 -3.45 115.58 111.11 2k11 h ASN 71 Ca 0.46 0.00 -0.50 0.00 0.71 0.00 0.00 56.30 56.97 2k11 h ASN 71 Cb 0.57 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.57 2k11 h ASN 71 CO 1.14 0.06 -0.49 0.00 -1.29 0.00 0.00 177.43 176.84 2k11 s TYR 73 N -2.21 -0.12 -0.07 0.00 1.51 -0.54 -1.04 117.35 114.88 2k11 s TYR 73 Ca 0.36 -0.19 0.03 0.00 -1.01 0.00 0.00 57.07 56.27 2k11 s TYR 73 Cb -0.07 0.18 -0.02 0.00 -0.11 0.00 0.00 41.96 41.94 2k11 s TYR 73 CO 0.26 -0.65 -0.17 0.15 -1.11 0.00 0.00 175.55 174.03 2k11 s LYS 74 N -3.66 2.74 0.05 -0.62 1.02 -1.26 -2.28 119.74 115.73 2k11 s LYS 74 Ca 0.02 -0.75 -0.31 0.00 0.02 0.00 0.00 55.97 54.96 2k11 s LYS 74 Cb 0.02 -2.38 -0.07 0.00 -0.52 0.00 0.00 37.83 34.88 2k11 s LYS 74 CO -0.11 0.45 1.46 -1.54 -0.92 0.00 0.00 175.35 174.69 2k11 s SER 75 N -0.30 6.78 0.00 2.83 1.04 -0.68 -4.34 113.70 119.03 2k11 s SER 75 Ca 0.02 2.27 0.04 0.00 0.48 0.00 0.00 55.95 58.75 2k11 s SER 75 Cb -0.13 -2.57 0.23 0.00 0.10 0.00 0.00 66.02 63.66 2k11 s SER 75 CO 0.03 -0.74 1.11 0.59 0.98 0.00 0.00 173.24 175.20 2k11 n ASN 76 N 4.99 0.00 -3.73 7.02 3.02 -1.26 -4.60 115.26 120.71 2k11 n ASN 76 Ca 0.13 -1.78 -0.12 0.00 -0.03 0.00 0.00 54.58 52.78 2k11 n ASN 76 Cb 0.42 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.47 2k11 n ASN 76 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2k11 s SER 77 N -1.17 -0.34 0.99 6.41 1.04 -1.26 -5.09 113.70 114.27 2k11 s SER 77 Ca 0.06 0.64 -0.14 0.00 0.48 0.00 0.00 55.95 56.99 2k11 s SER 77 Cb 0.03 0.54 0.05 0.00 0.10 0.00 0.00 66.02 66.73 2k11 s SER 77 CO 0.05 -0.16 0.28 -1.54 0.98 0.00 0.00 173.24 172.84 2k11 n SER 78 N 4.04 -2.26 -3.65 7.02 3.41 -1.26 -4.50 113.62 116.42 2k11 n SER 78 Ca -0.23 0.23 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 2k11 n SER 78 Cb 0.54 -1.14 -0.08 0.00 -0.26 0.00 0.00 64.21 63.28 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 -3.55 0.75 0.26 4.33 -1.94 -0.98 -4.76 119.30 113.41 2k11 s MET 79 Ca 0.56 0.90 -0.31 0.00 -1.71 0.00 0.00 55.69 55.13 2k11 s MET 79 Cb -0.19 0.37 -0.12 0.00 2.01 0.00 0.00 34.83 36.90 2k11 s MET 79 CO 0.68 -0.09 1.65 -1.01 -0.01 0.00 0.00 175.02 176.23 2k11 s HIS 80 N 0.35 2.80 0.17 -0.03 3.76 -1.26 -1.29 115.29 119.79 2k11 s HIS 80 Ca -0.00 0.61 -0.16 0.00 -0.15 0.00 0.00 55.06 55.35 2k11 s HIS 80 Cb -0.05 -4.11 0.03 0.00 1.11 0.00 0.00 32.58 29.57 2k11 s HIS 80 CO 0.01 -3.90 0.46 0.96 -0.85 0.00 0.00 174.74 171.42 2k11 s ILE 81 N 0.44 0.04 -0.32 0.60 -0.00 -0.13 -1.42 121.20 120.42 2k11 s ILE 81 Ca 0.68 -0.73 0.03 0.00 -0.00 0.00 0.00 60.65 60.63 2k11 s ILE 81 Cb -0.49 -1.43 0.09 0.00 -0.00 0.00 0.00 42.46 40.63 2k11 s ILE 81 CO 0.42 -0.20 0.03 -0.89 -0.00 0.00 0.00 174.94 174.30 2k11 s THR 82 N -3.85 2.04 0.02 8.37 2.01 -1.14 -2.45 115.64 120.64 2k11 s THR 82 Ca 0.07 -2.05 -0.30 0.00 0.31 0.00 0.00 61.69 59.72 2k11 s THR 82 Cb 0.00 -2.44 -0.09 0.00 0.01 0.00 0.00 72.50 69.99 2k11 s THR 82 CO -0.06 -0.49 2.00 -0.62 -0.69 0.00 0.00 174.62 174.75 2k11 s ASP 83 N 1.05 6.35 -0.32 3.53 2.15 -0.33 -1.34 116.67 127.75 2k11 s ASP 83 Ca 0.07 2.62 0.04 0.00 0.43 0.00 0.00 52.55 55.70 2k11 s ASP 83 Cb -0.19 -2.53 0.09 0.00 -0.30 0.00 0.00 42.92 39.99 2k11 s ASP 83 CO -0.10 -1.14 0.02 0.00 -0.17 0.00 0.00 175.17 173.78 2k11 s ARG 85 N 0.95 0.90 -0.18 0.00 3.52 -1.22 0.24 118.95 123.16 2k11 s ARG 85 Ca 0.07 -0.58 -0.36 0.00 -0.13 0.00 0.00 55.73 54.73 2k11 s ARG 85 Cb -0.19 -0.87 -0.13 0.00 -1.56 0.00 0.00 34.95 32.20 2k11 s ARG 85 CO -0.08 0.23 1.89 1.28 -0.81 0.00 0.00 175.30 177.81 2k11 n LEU 86 N 2.33 3.00 -4.88 -0.88 4.77 -1.19 0.21 117.00 120.35 2k11 n LEU 86 Ca -0.16 0.91 -0.35 0.00 -0.03 0.00 0.00 56.01 56.38 2k11 n LEU 86 Cb 0.55 -1.30 -0.05 0.00 -2.33 0.00 0.00 43.42 40.29 2k11 n LEU 86 CO 0.24 -0.25 -0.11 0.28 -1.33 0.00 0.00 177.39 176.22 2k11 s THR 87 N 4.47 5.38 -1.14 -5.08 -1.32 0.13 -4.32 115.64 113.77 2k11 s THR 87 Ca 0.97 0.15 -0.04 0.00 -1.21 0.00 0.00 61.69 61.55 2k11 s THR 87 Cb -0.81 -3.52 0.00 0.00 -1.51 0.00 0.00 72.50 66.67 2k11 s THR 87 CO 0.55 0.45 0.55 0.59 -2.21 0.00 0.00 174.62 174.55 2k11 n ASN 88 N 1.39 -5.06 -1.68 8.08 3.02 -1.26 -2.35 115.26 117.40 2k11 n ASN 88 Ca -0.14 -0.25 -0.09 0.00 -0.03 0.00 0.00 54.58 54.06 2k11 n ASN 88 Cb 0.53 -3.86 -0.03 0.00 -0.61 0.00 0.00 39.78 35.82 2k11 n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k11 n GLY 89 N -1.40 0.39 3.65 7.41 0.00 -1.26 -4.83 105.19 109.15 2k11 n GLY 89 Ca -0.07 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.63 2.34 -4.29 1.61 7.64 -0.99 -4.99 113.62 114.31 2k11 n SER 90 Ca -0.10 1.15 -0.16 0.00 1.01 0.00 0.00 58.87 60.77 2k11 n SER 90 Cb 0.40 -1.37 -0.10 0.00 -1.01 0.00 0.00 64.21 62.12 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 -0.54 1.18 0.28 1.43 6.06 -0.35 -4.75 118.95 122.26 2k11 s ARG 91 Ca 0.68 -1.53 -0.29 0.00 -2.50 0.00 0.00 55.73 52.09 2k11 s ARG 91 Cb -0.70 -0.74 -0.14 0.00 0.06 0.00 0.00 34.95 33.44 2k11 s ARG 91 CO 0.51 0.06 1.16 0.98 -2.50 0.00 0.00 175.30 175.52 2k11 n TYR 92 N -0.29 1.67 0.28 5.12 4.19 -1.26 0.26 117.16 127.13 2k11 n TYR 92 Ca -0.09 0.62 0.17 0.00 3.31 0.00 0.00 57.90 61.92 2k11 n TYR 92 Cb 0.61 -2.33 0.70 0.00 0.49 0.00 0.00 39.34 38.81 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 2.64 0.00 -6.05 2.98 0.13 -1.99 -3.49 132.00 126.22 2k11 h PRO 93 Ca -0.42 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.09 2k11 h PRO 93 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 2k11 h PRO 93 CO 0.64 0.02 1.40 0.09 -0.23 0.00 0.00 178.00 179.92 2k11 n ASN 94 N -3.12 2.94 -0.23 1.44 4.13 0.73 -4.80 115.26 116.34 2k11 n ASN 94 Ca 0.00 0.42 0.08 0.00 1.68 0.00 0.00 54.58 56.77 2k11 n ASN 94 Cb 0.30 -1.42 0.14 0.00 -1.54 0.00 0.00 39.78 37.26 2k11 n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k11 n ALA 96 N -1.04 0.49 -2.00 0.00 0.00 -1.26 -4.58 120.51 112.12 2k11 n ALA 96 Ca 0.14 -0.37 -0.24 0.00 0.00 0.00 0.00 53.44 52.97 2k11 n ALA 96 Cb 0.61 -2.51 0.12 0.00 0.00 0.00 0.00 19.45 17.67 2k11 n ALA 96 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2k11 s TYR 97 N 9.34 1.35 -0.32 0.00 2.02 -1.26 0.19 117.35 128.67 2k11 s TYR 97 Ca 1.22 -0.35 0.03 0.00 -0.37 0.00 0.00 57.07 57.60 2k11 s TYR 97 Cb -0.97 -2.99 0.09 0.00 -0.40 0.00 0.00 41.96 37.69 2k11 s TYR 97 CO 0.45 -1.82 0.03 0.50 -1.57 0.00 0.00 175.55 173.14 2k11 s ARG 98 N -5.18 1.46 -0.33 -0.62 3.00 0.55 -4.31 118.95 113.52 2k11 s ARG 98 Ca 0.68 -1.60 -0.29 0.00 -1.00 0.00 0.00 55.73 53.52 2k11 s ARG 98 Cb -0.04 -2.91 -0.01 0.00 0.00 0.00 0.00 34.95 31.99 2k11 s ARG 98 CO 0.45 -0.87 1.54 0.99 0.00 0.00 0.00 175.30 177.40 2k11 s THR 99 N 1.09 3.79 -0.37 4.11 2.01 -1.25 -3.38 115.64 121.64 2k11 s THR 99 Ca 0.07 0.84 0.01 0.00 0.31 0.00 0.00 61.69 62.92 2k11 s THR 99 Cb -0.19 -3.94 0.10 0.00 0.01 0.00 0.00 72.50 68.48 2k11 s THR 99 CO -0.10 -0.52 0.11 -0.44 -0.69 0.00 0.00 174.62 172.98 2k11 s SER 100 N 4.35 4.97 -0.04 3.53 0.01 0.46 -4.52 113.70 122.46 2k11 s SER 100 Ca 0.67 -2.09 -0.30 0.00 1.31 0.00 0.00 55.95 55.54 2k11 s SER 100 Cb -0.19 -1.71 -0.05 0.00 0.21 0.00 0.00 66.02 64.28 2k11 s SER 100 CO 0.31 -0.45 1.48 -2.16 0.41 0.00 0.00 173.24 172.83 2k11 s PRO 101 N 1.01 4.24 -0.01 12.44 0.04 -1.24 -1.19 135.00 150.28 2k11 s PRO 101 Ca 0.10 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 62.86 2k11 s PRO 101 Cb -0.21 -3.73 0.10 0.00 0.04 0.00 0.00 34.50 30.71 2k11 s PRO 101 CO -0.06 -0.69 0.94 0.21 0.04 0.00 0.00 177.00 177.44 2k11 s LYS 102 N 3.08 0.79 -0.21 4.56 2.20 -1.02 -5.00 119.74 124.14 2k11 s LYS 102 Ca 0.66 -0.31 -0.00 0.00 -0.36 0.00 0.00 55.97 55.96 2k11 s LYS 102 Cb -0.31 0.35 0.05 0.00 -1.51 0.00 0.00 37.83 36.41 2k11 s LYS 102 CO 0.26 -0.35 -0.05 -1.83 -0.36 0.00 0.00 175.35 173.02 2k11 s GLU 103 N -3.04 1.52 0.25 4.03 -1.05 -1.26 -0.95 118.70 118.18 2k11 s GLU 103 Ca 0.06 -0.78 -0.19 0.00 -0.15 0.00 0.00 54.97 53.92 2k11 s GLU 103 Cb -0.01 -2.35 0.02 0.00 -0.44 0.00 0.00 34.13 31.35 2k11 s GLU 103 CO -0.07 -0.53 0.62 0.50 0.95 0.00 0.00 175.26 176.72 2k11 s ARG 104 N 1.51 1.62 1.11 -4.83 3.52 -0.41 -4.61 118.95 116.86 2k11 s ARG 104 Ca -0.03 -0.97 -0.16 0.00 -0.13 0.00 0.00 55.73 54.44 2k11 s ARG 104 Cb -0.17 0.56 0.20 0.00 -1.56 0.00 0.00 34.95 33.98 2k11 s ARG 104 CO -0.07 -0.72 0.36 0.72 -0.81 0.00 0.00 175.30 174.79 2k11 n HIS 105 N -0.41 -2.39 -3.51 5.12 8.25 -1.26 -2.31 115.22 118.71 2k11 n HIS 105 Ca -0.06 -0.12 -0.13 0.00 -0.26 0.00 0.00 57.72 57.16 2k11 n HIS 105 Cb 0.61 -1.42 -0.04 0.00 1.12 0.00 0.00 29.99 30.26 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 -2.12 0.02 -0.18 1.59 -4.36 -1.26 -1.79 121.20 113.10 2k11 s ILE 106 Ca 0.46 -0.17 0.01 0.00 -0.26 0.00 0.00 60.65 60.68 2k11 s ILE 106 Cb -0.08 -1.03 0.02 0.00 1.25 0.00 0.00 42.46 42.61 2k11 s ILE 106 CO 0.44 -0.10 -0.19 -0.63 0.24 0.00 0.00 174.94 174.70 2k11 s ILE 107 N -3.29 2.13 0.16 8.37 1.01 -0.40 -1.69 121.20 127.49 2k11 s ILE 107 Ca -0.01 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.76 2k11 s ILE 107 Cb -0.00 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 2k11 s ILE 107 CO -0.09 0.54 -0.08 0.68 0.00 0.00 0.00 174.94 175.99 2k11 s VAL 108 N 1.24 1.10 -0.42 2.92 -7.23 -0.97 -0.68 120.40 116.36 2k11 s VAL 108 Ca 0.04 -2.05 -0.06 0.00 -1.81 0.00 0.00 61.98 58.10 2k11 s VAL 108 Cb -0.13 -1.93 0.10 0.00 0.56 0.00 0.00 36.38 34.98 2k11 s VAL 108 CO -0.11 -0.68 0.25 0.00 -0.31 0.00 0.00 175.10 174.25 2k11 s ALA 109 N -3.37 3.24 0.18 1.32 0.00 0.87 -1.47 121.76 122.53 2k11 s ALA 109 Ca 0.19 -2.38 -0.04 0.00 0.00 0.00 0.00 51.96 49.72 2k11 s ALA 109 Cb 0.03 -2.56 -0.05 0.00 0.00 0.00 0.00 23.12 20.54 2k11 s ALA 109 CO 0.02 -1.76 0.41 0.00 0.00 0.00 0.00 175.76 174.43 2k11 s GLU 111 N -2.92 1.46 2.46 0.00 2.12 -0.14 -4.82 118.70 116.85 2k11 s GLU 111 Ca 0.41 -0.93 0.00 0.00 0.36 0.00 0.00 54.97 54.81 2k11 s GLU 111 Cb -0.12 0.41 0.00 0.00 0.26 0.00 0.00 34.13 34.69 2k11 s GLU 111 CO 0.26 -0.68 0.00 0.41 -0.54 0.00 0.00 175.26 174.71 2k11 n GLY 112 N -0.65 -0.19 3.38 -1.50 0.00 -1.26 -3.56 105.19 101.41 2k11 n GLY 112 Ca -0.04 -1.25 -0.07 0.00 0.00 0.00 0.00 46.02 44.66 2k11 n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k11 s SER 113 N -4.00 -0.54 1.24 1.61 0.01 -1.26 -4.11 113.70 106.64 2k11 s SER 113 Ca 0.00 1.15 -0.20 0.00 1.31 0.00 0.00 55.95 58.21 2k11 s SER 113 Cb 0.00 1.51 0.30 0.00 0.21 0.00 0.00 66.02 68.04 2k11 s SER 113 CO 0.00 -0.22 1.11 -2.16 0.41 0.00 0.00 173.24 172.38 2k11 s PRO 114 N 2.46 -1.52 -0.61 12.44 0.04 -1.26 -5.03 135.00 141.53 2k11 s PRO 114 Ca -0.04 -0.17 -0.27 0.00 0.04 0.00 0.00 61.00 60.56 2k11 s PRO 114 Cb -0.11 -1.57 -0.00 0.00 0.04 0.00 0.00 34.50 32.86 2k11 s PRO 114 CO -0.15 -3.88 1.63 -0.47 0.04 0.00 0.00 177.00 174.16 2k11 s TYR 115 N -3.01 1.95 0.09 0.56 5.04 -1.26 -4.80 117.35 115.92 2k11 s TYR 115 Ca 0.72 0.52 0.04 0.00 -2.44 0.00 0.00 57.07 55.92 2k11 s TYR 115 Cb -0.08 -4.28 -0.03 0.00 0.35 0.00 0.00 41.96 37.92 2k11 s TYR 115 CO 0.56 -2.22 -0.11 0.14 -1.34 0.00 0.00 175.55 172.57 2k11 s VAL 116 N 7.48 1.00 -0.15 3.14 -7.23 -1.23 -4.88 120.40 118.53 2k11 s VAL 116 Ca 0.58 -1.52 -0.29 0.00 -1.81 0.00 0.00 61.98 58.94 2k11 s VAL 116 Cb -0.12 -1.24 -0.03 0.00 0.56 0.00 0.00 36.38 35.54 2k11 s VAL 116 CO 0.21 -0.44 1.57 -2.16 -0.31 0.00 0.00 175.10 173.97 2k11 s PRO 117 N -2.40 4.01 0.00 4.82 0.04 -1.26 -0.97 135.00 139.24 2k11 s PRO 117 Ca 0.03 1.85 0.06 0.00 0.04 0.00 0.00 61.00 62.98 2k11 s PRO 117 Cb -0.06 -3.97 0.13 0.00 0.04 0.00 0.00 34.50 30.64 2k11 s PRO 117 CO 0.01 -1.03 0.97 1.33 0.04 0.00 0.00 177.00 178.32 2k11 n VAL 118 N 5.89 0.60 -3.62 -0.36 0.24 -0.68 -4.77 118.33 115.62 2k11 n VAL 118 Ca 0.17 -0.80 -0.15 0.00 -2.04 0.00 0.00 64.34 61.52 2k11 n VAL 118 Cb 0.44 0.76 -0.07 0.00 -1.47 0.00 0.00 33.84 33.50 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 -0.81 -0.66 -0.11 6.34 5.65 -1.05 -4.62 115.29 120.02 2k11 s HIS 119 Ca 0.11 1.47 -0.01 0.00 0.25 0.00 0.00 55.06 56.89 2k11 s HIS 119 Cb 0.06 0.28 -0.02 0.00 -1.18 0.00 0.00 32.58 31.72 2k11 s HIS 119 CO 0.09 -0.42 -0.08 0.12 -0.65 0.00 0.00 174.74 173.80 2k11 s PHE 120 N -0.20 2.91 0.00 3.88 2.19 -1.26 -0.09 117.98 125.41 2k11 s PHE 120 Ca -0.04 -0.26 0.00 0.00 0.33 0.00 0.00 56.93 56.96 2k11 s PHE 120 Cb -0.03 -1.81 0.00 0.00 -1.31 0.00 0.00 43.02 39.86 2k11 s PHE 120 CO 0.04 0.07 0.00 -3.47 1.83 0.00 0.00 175.22 173.69 2k11 n ASP 121 N 2.96 0.00 -3.57 6.13 2.03 0.14 -4.94 116.55 119.31 2k11 n ASP 121 Ca -0.18 0.03 -0.07 0.00 0.52 0.00 0.00 54.79 55.09 2k11 n ASP 121 Cb 0.53 -0.28 -0.03 0.00 -0.72 0.00 0.00 41.12 40.62 2k11 n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k11 s ALA 122 N -3.85 -1.96 0.77 -1.67 0.00 -1.15 -5.00 121.76 108.89 2k11 s ALA 122 Ca 0.00 1.46 -0.11 0.00 0.00 0.00 0.00 51.96 53.30 2k11 s ALA 122 Cb 0.00 -0.30 0.05 0.00 0.00 0.00 0.00 23.12 22.87 2k11 s ALA 122 CO 0.00 -0.49 1.09 -1.54 0.00 0.00 0.00 175.76 174.82 2k11 s SER 123 N -1.80 4.77 0.53 0.00 1.04 -1.26 -1.28 113.70 115.71 2k11 s SER 123 Ca 0.04 1.38 0.05 0.00 0.48 0.00 0.00 55.95 57.90 2k11 s SER 123 Cb -0.01 -2.15 0.03 0.00 0.10 0.00 0.00 66.02 63.98 2k11 s SER 123 CO -0.04 -1.80 0.33 -0.69 0.98 0.00 0.00 173.24 172.02 2k11 s VAL 124 N -3.14 1.61 -0.02 5.02 1.01 -0.74 -4.83 120.40 119.31 2k11 s VAL 124 Ca 0.60 -1.57 0.02 0.00 0.00 0.00 0.00 61.98 61.02 2k11 s VAL 124 Cb -0.14 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 2k11 s VAL 124 CO 0.54 0.00 0.01 -0.62 0.00 0.00 0.00 175.10 175.04 2k11 n GLU 125 N -1.67 3.22 -3.73 2.72 1.02 -1.26 -4.41 120.64 116.53 2k11 n GLU 125 Ca -0.04 -0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.04 2k11 n GLU 125 Cb 0.65 -1.06 -0.02 0.00 -0.02 0.00 0.00 31.44 30.99 2k11 n GLU 125 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2k11 s ASP 126 N -3.15 -0.25 0.00 1.62 -1.08 -1.26 -4.93 116.67 107.62 2k11 s ASP 126 Ca -0.01 -0.39 0.00 0.00 -0.52 0.00 0.00 52.55 51.63 2k11 s ASP 126 Cb 0.01 0.55 0.00 0.00 -1.46 0.00 0.00 42.92 42.02 2k11 s ASP 126 CO 0.09 -1.00 0.22 -0.24 0.52 0.00 0.00 175.17 174.76