#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 0.81 0.45 1.64 2.02 -1.26 -5.16 118.70 117.20 2k11 s GLU 2 Ca 0.00 -1.08 -0.03 0.00 0.02 0.00 0.00 54.97 53.88 2k11 s GLU 2 Cb 0.00 -0.57 -0.03 0.00 0.10 0.00 0.00 34.13 33.63 2k11 s GLU 2 CO 0.00 0.10 0.71 -1.12 0.02 0.00 0.00 175.26 174.97 2k11 s SER 3 N -2.23 6.14 -0.08 -0.19 0.01 -1.26 -5.03 113.70 111.06 2k11 s SER 3 Ca 0.03 0.67 -0.24 0.00 1.31 0.00 0.00 55.95 57.72 2k11 s SER 3 Cb -0.05 -2.02 -0.19 0.00 0.21 0.00 0.00 66.02 63.97 2k11 s SER 3 CO 0.01 -0.56 0.88 -0.09 0.41 0.00 0.00 173.24 173.88 2k11 h ARG 4 N 0.37 -0.07 -0.09 12.44 9.65 -2.02 -3.25 114.38 131.41 2k11 h ARG 4 Ca -0.48 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.44 2k11 h ARG 4 Cb 1.22 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.81 2k11 h ARG 4 CO 0.61 0.54 0.07 0.00 2.80 0.00 0.00 179.97 183.98 2k11 h ALA 5 N -0.04 1.98 -0.80 2.80 0.00 -1.93 -1.94 119.26 119.33 2k11 h ALA 5 Ca -0.01 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2k11 h ALA 5 Cb 0.64 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 2k11 h ALA 5 CO 0.01 -0.12 0.49 -0.22 0.00 0.00 0.00 179.25 179.41 2k11 h LYS 6 N 0.00 0.88 -0.50 0.00 1.63 -1.92 -1.05 116.57 115.61 2k11 h LYS 6 Ca 0.04 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.80 2k11 h LYS 6 Cb 0.19 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 31.59 2k11 h LYS 6 CO -0.00 0.58 0.33 -0.22 -3.45 0.00 0.00 179.45 176.69 2k11 h LYS 7 N 0.90 0.64 -0.16 1.90 1.63 -1.43 -2.00 116.57 118.06 2k11 h LYS 7 Ca 0.35 -0.04 -0.19 0.00 -0.85 0.00 0.00 60.65 59.91 2k11 h LYS 7 Cb 0.14 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2k11 h LYS 7 CO -0.16 0.42 -0.69 0.35 -3.45 0.00 0.00 179.45 175.92 2k11 h PHE 8 N 0.66 0.85 0.35 1.91 3.57 -1.29 -2.84 116.94 120.15 2k11 h PHE 8 Ca 0.19 -0.35 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 2k11 h PHE 8 Cb -0.04 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 2k11 h PHE 8 CO -0.00 1.14 -0.26 1.96 -2.23 0.00 0.00 178.31 178.92 2k11 h GLN 9 N 0.46 -0.59 -0.17 1.11 7.50 -0.56 -1.15 115.11 121.71 2k11 h GLN 9 Ca -0.03 0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.16 2k11 h GLN 9 Cb 1.28 0.13 0.00 0.00 0.05 0.00 0.00 27.48 28.95 2k11 h GLN 9 CO 0.13 -0.39 0.00 2.89 -1.50 0.00 0.00 178.83 179.96 2k11 n ARG 10 N -5.39 0.92 -0.08 1.46 -4.01 -0.99 -2.09 116.66 106.49 2k11 n ARG 10 Ca -0.10 0.00 -0.07 0.00 -1.04 0.00 0.00 57.85 56.64 2k11 n ARG 10 Cb 0.29 -1.08 -0.02 0.00 -3.04 0.00 0.00 32.46 28.61 2k11 n ARG 10 CO 0.00 0.00 0.00 1.04 -3.04 0.00 0.00 177.63 175.63 2k11 n GLN 11 N -0.40 0.45 -0.01 2.89 6.02 -0.48 -4.90 117.38 120.95 2k11 n GLN 11 Ca 0.00 0.25 -0.02 0.00 -0.01 0.00 0.00 57.00 57.22 2k11 n GLN 11 Cb 0.04 -1.37 -0.01 0.00 1.02 0.00 0.00 30.24 29.92 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 -4.24 0.00 -1.72 1.08 8.25 -0.93 -4.86 115.22 112.79 2k11 n HIS 12 Ca -0.11 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.97 2k11 n HIS 12 Cb 0.41 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.39 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 2.45 -0.11 -0.41 -1.94 -0.89 0.65 119.30 117.00 2k11 s MET 13 Ca -0.03 1.29 0.15 0.00 -1.71 0.00 0.00 55.69 55.39 2k11 s MET 13 Cb 0.01 -4.48 0.29 0.00 2.01 0.00 0.00 34.83 32.66 2k11 s MET 13 CO 0.07 -2.89 1.18 -0.40 -0.01 0.00 0.00 175.02 172.97 2k11 n ASP 14 N 14.16 2.59 -0.20 3.03 5.75 0.15 -4.40 116.55 137.62 2k11 n ASP 14 Ca 0.31 -2.86 0.15 0.00 -0.01 0.00 0.00 54.79 52.38 2k11 n ASP 14 Cb 0.52 -0.37 0.28 0.00 -1.03 0.00 0.00 41.12 40.52 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 -1.05 0.09 -0.15 -1.12 3.41 0.27 0.29 113.62 115.37 2k11 n SER 15 Ca 0.14 1.02 -0.10 0.00 -0.26 0.00 0.00 58.87 59.67 2k11 n SER 15 Cb 0.61 -0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 64.05 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 -1.45 -3.39 4.04 3.58 -1.85 -3.42 116.42 113.93 2k11 h ASP 16 Ca 0.45 0.20 -0.54 0.00 0.42 0.00 0.00 57.03 57.56 2k11 h ASP 16 Cb 1.11 0.60 0.21 0.00 1.72 0.00 0.00 39.33 42.97 2k11 h ASP 16 CO -0.51 -0.28 -0.54 -1.20 -2.88 0.00 0.00 179.24 173.83 2k11 n SER 17 N -4.70 -1.95 -4.91 2.28 7.64 0.15 -4.98 113.62 107.15 2k11 n SER 17 Ca -0.02 0.37 -0.28 0.00 1.01 0.00 0.00 58.87 59.95 2k11 n SER 17 Cb 0.24 -1.21 -0.03 0.00 -1.01 0.00 0.00 64.21 62.20 2k11 n SER 17 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k11 s SER 18 N -1.94 6.43 0.41 6.43 0.15 -1.26 -4.95 113.70 118.96 2k11 s SER 18 Ca 0.58 0.73 0.00 0.00 0.70 0.00 0.00 55.95 57.96 2k11 s SER 18 Cb -0.23 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2k11 s SER 18 CO 0.66 -0.24 0.00 -0.81 1.20 0.00 0.00 173.24 174.05 2k11 n PRO 19 N -1.10 0.17 -3.06 5.44 -0.04 -1.26 -4.66 135.00 130.49 2k11 n PRO 19 Ca -0.02 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.31 2k11 n PRO 19 Cb 0.54 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.06 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 -1.23 -2.64 -4.27 3.54 2.88 -1.26 -4.99 113.62 105.65 2k11 n SER 20 Ca 0.00 -0.43 -0.42 0.00 -1.33 0.00 0.00 58.87 56.69 2k11 n SER 20 Cb 0.00 -3.77 -0.08 0.00 -0.75 0.00 0.00 64.21 59.61 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 -3.82 5.84 -0.02 -3.46 0.01 -1.26 -4.83 113.70 106.15 2k11 s SER 21 Ca 0.08 -1.69 0.01 0.00 1.31 0.00 0.00 55.95 55.66 2k11 s SER 21 Cb -0.04 -2.07 -0.02 0.00 0.21 0.00 0.00 66.02 64.11 2k11 s SER 21 CO 0.52 -0.67 -0.02 -0.24 0.41 0.00 0.00 173.24 173.24 2k11 n SER 22 N 5.02 3.94 -2.76 2.44 2.88 -1.26 -3.52 113.62 120.36 2k11 n SER 22 Ca -0.10 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 2k11 n SER 22 Cb 0.42 0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 2k11 n SER 22 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2k11 n SER 23 N -2.48 -1.19 -0.12 -3.46 2.88 -1.26 -4.36 113.62 103.64 2k11 n SER 23 Ca -0.04 -0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.19 2k11 n SER 23 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 2k11 n SER 23 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2k11 n THR 24 N -2.46 0.00 -0.25 2.46 -2.24 -1.26 -4.13 114.28 106.40 2k11 n THR 24 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 2k11 n THR 24 Cb 0.00 -0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 67.85 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 -0.28 -0.21 0.08 4.78 4.19 -1.26 0.92 117.16 125.38 2k11 n TYR 25 Ca 0.00 0.75 -0.12 0.00 3.31 0.00 0.00 57.90 61.84 2k11 n TYR 25 Cb 0.01 -0.58 -0.05 0.00 0.49 0.00 0.00 39.34 39.20 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 -5.30 -0.05 -0.04 0.00 5.15 0.26 -0.88 115.26 114.40 2k11 n ASN 27 Ca -0.06 1.02 -0.00 0.00 -0.60 0.00 0.00 54.58 54.94 2k11 n ASN 27 Cb 0.21 -0.38 -0.00 0.00 -0.53 0.00 0.00 39.78 39.08 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 -0.01 1.20 7.50 -1.22 -3.33 115.11 119.25 2k11 h GLN 28 Ca 0.38 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.53 2k11 h GLN 28 Cb 0.79 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.32 2k11 h GLN 28 CO -0.56 0.00 -0.01 -1.33 -1.50 0.00 0.00 178.83 175.43 2k11 n MET 29 N -4.32 -0.01 -0.37 1.46 2.81 -0.06 0.25 117.12 116.88 2k11 n MET 29 Ca -0.01 0.61 0.33 0.00 -1.81 0.00 0.00 57.70 56.82 2k11 n MET 29 Cb 0.02 -0.91 0.60 0.00 -0.71 0.00 0.00 33.22 32.22 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 0.05 0.15 0.03 2.86 -1.46 0.53 114.93 117.09 2k11 h MET 30 Ca 0.00 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2k11 h MET 30 Cb 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2k11 h MET 30 CO -0.01 0.03 -0.07 0.00 1.06 0.00 0.00 176.91 177.92 2k11 h ARG 31 N 0.05 -0.19 -0.44 1.72 3.08 0.31 -3.16 114.38 115.76 2k11 h ARG 31 Ca 0.84 0.01 0.13 0.00 0.07 0.00 0.00 59.98 61.03 2k11 h ARG 31 Cb 2.33 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 32.41 2k11 h ARG 31 CO -0.65 -0.13 0.88 0.00 -1.07 0.00 0.00 179.97 179.00 2k11 h ARG 32 N -0.87 0.00 -0.78 0.04 2.47 0.14 1.32 114.38 116.70 2k11 h ARG 32 Ca -0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 2k11 h ARG 32 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 2k11 h ARG 32 CO 0.03 0.00 0.00 0.54 0.56 0.00 0.00 179.97 181.10 2k11 n ARG 33 N -3.03 1.34 -3.86 0.04 5.12 0.05 -4.84 116.66 111.48 2k11 n ARG 33 Ca 0.09 -0.30 -0.28 0.00 -1.93 0.00 0.00 57.85 55.43 2k11 n ARG 33 Cb 1.02 -1.47 0.03 0.00 -1.16 0.00 0.00 32.46 30.89 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 -0.01 -4.44 -0.07 0.55 4.13 0.45 -4.85 115.26 111.03 2k11 n ASN 34 Ca 0.03 -0.76 0.02 0.00 1.68 0.00 0.00 54.58 55.55 2k11 n ASN 34 Cb 0.29 -4.01 -0.01 0.00 -1.54 0.00 0.00 39.78 34.51 2k11 n ASN 34 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 2k11 n MET 35 N -4.66 3.65 -0.13 3.52 2.81 -1.16 -4.55 117.12 116.59 2k11 n MET 35 Ca -0.01 -0.26 0.08 0.00 -1.81 0.00 0.00 57.70 55.70 2k11 n MET 35 Cb 0.55 -0.84 0.14 0.00 -0.71 0.00 0.00 33.22 32.36 2k11 n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2k11 n THR 36 N -0.67 1.78 -0.01 2.03 -2.24 -1.26 -4.47 114.28 109.45 2k11 n THR 36 Ca 0.02 -1.94 -0.17 0.00 -2.27 0.00 0.00 64.05 59.68 2k11 n THR 36 Cb 0.09 -0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 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 0.42 0.75 0.00 -0.78 1.08 -1.87 -3.39 115.11 111.32 2k11 h GLN 37 Ca 0.00 -0.63 -0.16 0.00 -1.45 0.00 0.00 58.65 56.41 2k11 h GLN 37 Cb 0.99 0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.54 2k11 h GLN 37 CO 0.04 1.24 -1.18 0.41 -0.95 0.00 0.00 178.83 178.39 2k11 n GLY 38 N 0.74 -0.77 3.36 3.46 0.00 -1.26 -5.05 105.19 105.65 2k11 n GLY 38 Ca -0.08 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 2k11 n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k11 s ARG 39 N -2.43 1.69 -0.32 1.61 0.52 -1.26 -5.10 118.95 113.66 2k11 s ARG 39 Ca -0.26 -1.98 -0.18 0.00 -0.52 0.00 0.00 55.73 52.79 2k11 s ARG 39 Cb 0.06 -0.10 -0.01 0.00 0.52 0.00 0.00 34.95 35.41 2k11 s ARG 39 CO 0.42 -0.50 0.50 0.00 0.02 0.00 0.00 175.30 175.75 2k11 n LYS 41 N 5.65 2.01 -0.03 0.00 3.00 -1.26 -4.91 118.16 122.63 2k11 n LYS 41 Ca -0.05 0.73 -0.13 0.00 -0.00 0.00 0.00 58.31 58.86 2k11 n LYS 41 Cb 0.49 -2.47 -0.09 0.00 0.00 0.00 0.00 35.03 32.96 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 5.68 0.15 -2.88 1.64 0.13 -1.96 -3.43 132.00 131.33 2k11 h PRO 42 Ca -0.45 -0.08 -0.03 0.00 -0.87 0.00 0.00 66.00 64.57 2k11 h PRO 42 Cb 1.27 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.27 2k11 h PRO 42 CO 0.87 0.60 0.19 0.08 -0.23 0.00 0.00 178.00 179.50 2k11 s VAL 43 N -4.28 0.00 0.16 1.56 1.01 -1.26 -3.14 120.40 114.45 2k11 s VAL 43 Ca -0.15 -0.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.55 2k11 s VAL 43 Cb 0.03 -1.01 0.07 0.00 0.00 0.00 0.00 36.38 35.48 2k11 s VAL 43 CO 0.71 -0.02 1.03 0.21 0.00 0.00 0.00 175.10 177.02 2k11 s ASN 44 N -2.51 -0.08 -0.28 3.32 3.84 0.29 -4.99 114.94 114.53 2k11 s ASN 44 Ca -0.01 -0.52 0.01 0.00 0.21 0.00 0.00 52.86 52.56 2k11 s ASN 44 Cb -0.01 0.47 0.17 0.00 -0.55 0.00 0.00 41.25 41.33 2k11 s ASN 44 CO -0.09 -0.90 0.49 -0.89 -2.79 0.00 0.00 177.10 172.92 2k11 s THR 45 N -2.67 -0.81 1.27 -5.21 2.01 -1.26 -0.41 115.64 108.57 2k11 s THR 45 Ca 0.17 -0.10 -0.21 0.00 0.31 0.00 0.00 61.69 61.86 2k11 s THR 45 Cb -0.01 -0.95 0.32 0.00 0.01 0.00 0.00 72.50 71.86 2k11 s THR 45 CO 0.03 -0.11 1.09 -0.36 -0.69 0.00 0.00 174.62 174.59 2k11 s PHE 46 N 2.69 -0.03 -0.10 4.92 0.08 -0.23 -4.71 117.98 120.59 2k11 s PHE 46 Ca 0.13 0.38 -0.05 0.00 0.12 0.00 0.00 56.93 57.52 2k11 s PHE 46 Cb -0.13 -3.44 0.05 0.00 -0.57 0.00 0.00 43.02 38.93 2k11 s PHE 46 CO -0.23 -4.22 0.23 0.08 -0.10 0.00 0.00 175.22 170.97 2k11 s VAL 47 N -2.94 -0.16 -1.55 -0.44 1.01 0.21 -2.34 120.40 114.18 2k11 s VAL 47 Ca 0.72 0.21 0.27 0.00 0.00 0.00 0.00 61.98 63.18 2k11 s VAL 47 Cb -0.08 -0.37 0.31 0.00 0.00 0.00 0.00 36.38 36.24 2k11 s VAL 47 CO 0.56 0.09 1.70 1.41 0.00 0.00 0.00 175.10 178.85 2k11 n HIS 48 N 4.64 0.00 -3.35 5.22 8.25 0.11 0.95 115.22 131.04 2k11 n HIS 48 Ca -0.18 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 56.92 2k11 n HIS 48 Cb 0.52 -0.19 -0.06 0.00 1.12 0.00 0.00 29.99 31.37 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 -2.59 3.99 0.56 -0.41 8.01 -1.15 -4.25 118.70 122.86 2k11 s GLU 49 Ca 0.24 0.50 -0.19 0.00 0.01 0.00 0.00 54.97 55.53 2k11 s GLU 49 Cb 0.19 -2.92 -0.05 0.00 -4.31 0.00 0.00 34.13 27.04 2k11 s GLU 49 CO 0.53 0.47 1.13 -1.25 0.01 0.00 0.00 175.26 176.14 2k11 s PRO 50 N -1.98 3.28 0.06 0.39 0.04 -1.26 -4.15 135.00 131.38 2k11 s PRO 50 Ca 0.38 1.58 -0.18 0.00 0.04 0.00 0.00 61.00 62.82 2k11 s PRO 50 Cb -0.15 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.33 2k11 s PRO 50 CO 0.19 -0.91 1.29 1.25 0.04 0.00 0.00 177.00 178.87 2k11 h LEU 51 N 1.03 -0.93 -0.62 -3.56 5.85 -1.98 -1.16 115.31 113.94 2k11 h LEU 51 Ca -0.50 0.11 0.19 0.00 0.84 0.00 0.00 57.88 58.53 2k11 h LEU 51 Cb 1.26 0.37 -0.12 0.00 0.37 0.00 0.00 40.66 42.54 2k11 h LEU 51 CO 0.56 -0.25 0.09 0.55 -0.34 0.00 0.00 178.44 179.05 2k11 n VAL 52 N -4.09 -0.26 0.39 1.05 3.14 -1.26 0.72 118.33 118.02 2k11 n VAL 52 Ca -0.03 1.34 -0.19 0.00 -2.96 0.00 0.00 64.34 62.50 2k11 n VAL 52 Cb 0.20 -2.01 -0.10 0.00 -1.06 0.00 0.00 33.84 30.87 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 -1.26 -0.27 6.55 3.58 -1.58 -2.01 116.42 121.43 2k11 h ASP 53 Ca 0.41 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.93 2k11 h ASP 53 Cb 0.92 0.38 -0.02 0.00 1.72 0.00 0.00 39.33 42.34 2k11 h ASP 53 CO -0.56 -0.72 0.15 0.58 -2.88 0.00 0.00 179.24 175.81 2k11 h VAL 54 N -1.14 1.10 -0.40 2.25 2.07 0.45 -2.57 116.25 118.02 2k11 h VAL 54 Ca -0.09 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.19 2k11 h VAL 54 Cb 0.93 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 2k11 h VAL 54 CO 0.06 0.12 0.15 1.56 0.02 0.00 0.00 177.57 179.48 2k11 h GLN 55 N 0.41 0.31 -0.40 1.57 4.20 -0.12 -0.52 115.11 120.57 2k11 h GLN 55 Ca 0.11 -0.02 0.12 0.00 0.06 0.00 0.00 58.65 58.91 2k11 h GLN 55 Cb 0.03 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2k11 h GLN 55 CO -0.02 0.21 0.48 -0.91 -0.67 0.00 0.00 178.83 177.92 2k11 h ASN 56 N 0.32 0.00 -0.79 1.46 2.35 -0.94 0.63 115.58 118.62 2k11 h ASN 56 Ca 0.18 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2k11 h ASN 56 Cb 0.15 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.48 2k11 h ASN 56 CO -0.18 0.00 0.47 0.58 -1.65 0.00 0.00 177.43 176.66 2k11 h VAL 57 N 0.00 1.22 0.00 2.81 2.07 -1.17 0.57 116.25 121.76 2k11 h VAL 57 Ca 0.19 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2k11 h VAL 57 Cb 1.16 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2k11 h VAL 57 CO -0.00 0.23 0.00 0.00 0.02 0.00 0.00 177.57 177.82 2k11 n PHE 59 N -2.66 0.00 -0.02 0.00 3.72 -0.41 -4.76 117.46 113.33 2k11 n PHE 59 Ca -0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.37 2k11 n PHE 59 Cb 0.11 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.65 2k11 n PHE 59 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2k11 h GLN 60 N 0.72 0.00 -5.05 -1.08 1.08 0.13 -3.50 115.11 107.41 2k11 h GLN 60 Ca 0.00 0.00 -0.42 0.00 -1.45 0.00 0.00 58.65 56.78 2k11 h GLN 60 Cb 0.23 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 27.52 2k11 h GLN 60 CO 0.00 0.00 -0.60 -2.00 -0.95 0.00 0.00 178.83 175.28 2k11 s GLU 61 N -1.36 1.57 0.06 1.46 2.12 -0.93 -5.07 118.70 116.54 2k11 s GLU 61 Ca -0.04 -1.87 0.02 0.00 0.36 0.00 0.00 54.97 53.44 2k11 s GLU 61 Cb 0.01 -0.56 -0.03 0.00 0.26 0.00 0.00 34.13 33.81 2k11 s GLU 61 CO 0.06 -0.27 -0.07 -1.59 -0.54 0.00 0.00 175.26 172.85 2k11 s LYS 62 N -3.94 0.62 0.19 4.30 0.00 -1.26 -4.31 119.74 115.35 2k11 s LYS 62 Ca 0.36 -0.95 0.01 0.00 0.00 0.00 0.00 55.97 55.40 2k11 s LYS 62 Cb 0.08 -0.25 -0.05 0.00 0.00 0.00 0.00 37.83 37.61 2k11 s LYS 62 CO 0.15 0.02 0.04 0.14 0.00 0.00 0.00 175.35 175.70 2k11 s VAL 63 N -2.14 0.55 0.69 1.79 -7.23 -0.69 -4.74 120.40 108.62 2k11 s VAL 63 Ca -0.03 -1.98 -0.04 0.00 -1.81 0.00 0.00 61.98 58.12 2k11 s VAL 63 Cb -0.05 -2.26 0.07 0.00 0.56 0.00 0.00 36.38 34.70 2k11 s VAL 63 CO -0.01 -0.33 0.97 -0.89 -0.31 0.00 0.00 175.10 174.53 2k11 s THR 64 N -3.75 2.33 0.09 5.32 2.01 -1.26 -4.13 115.64 116.24 2k11 s THR 64 Ca 0.28 -0.40 -0.05 0.00 0.31 0.00 0.00 61.69 61.83 2k11 s THR 64 Cb 0.07 -2.93 -0.02 0.00 0.01 0.00 0.00 72.50 69.63 2k11 s THR 64 CO 0.07 0.00 0.11 0.00 -0.69 0.00 0.00 174.62 174.11 2k11 n LYS 66 N -0.03 -0.29 -0.20 0.00 4.01 -1.26 0.23 118.16 120.63 2k11 n LYS 66 Ca -0.13 1.08 0.01 0.00 -0.51 0.00 0.00 58.31 58.77 2k11 n LYS 66 Cb 0.62 -1.60 0.26 0.00 -0.51 0.00 0.00 35.03 33.81 2k11 n LYS 66 CO 0.00 0.00 0.00 -2.95 -1.11 0.00 0.00 177.40 173.34 2k11 h ASN 67 N 0.00 0.83 0.00 4.39 7.08 -2.05 -3.46 115.58 122.37 2k11 h ASN 67 Ca 0.14 -0.02 0.00 0.00 -3.08 0.00 0.00 56.30 53.34 2k11 h ASN 67 Cb 0.32 -0.21 0.00 0.00 -2.08 0.00 0.00 38.32 36.35 2k11 h ASN 67 CO -0.68 0.60 0.00 0.61 -2.08 0.00 0.00 177.43 175.88 2k11 n GLY 68 N -1.42 1.99 3.78 9.14 0.00 0.64 -5.13 105.19 114.19 2k11 n GLY 68 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.64 2.48 -0.41 1.61 -0.21 -1.26 -4.78 119.66 116.46 2k11 s GLN 69 Ca 0.00 -1.48 -0.00 0.00 0.02 0.00 0.00 55.36 53.90 2k11 s GLN 69 Cb 0.00 -2.27 0.35 0.00 1.00 0.00 0.00 33.01 32.08 2k11 s GLN 69 CO 0.00 0.08 1.91 0.41 -2.12 0.00 0.00 175.29 175.57 2k11 n GLY 70 N -1.24 4.44 0.12 3.09 0.00 -1.26 -3.21 105.19 107.12 2k11 n GLY 70 Ca -0.02 -1.31 0.13 0.00 0.00 0.00 0.00 46.02 44.82 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 1.38 0.00 -2.07 1.61 -1.24 -1.90 -3.46 115.58 109.90 2k11 h ASN 71 Ca 0.42 -0.01 -0.51 0.00 0.71 0.00 0.00 56.30 56.91 2k11 h ASN 71 Cb 1.28 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.28 2k11 h ASN 71 CO 0.98 0.00 -0.51 0.00 -1.29 0.00 0.00 177.43 176.61 2k11 s TYR 73 N -2.22 -0.16 -0.02 0.00 1.51 -1.05 -1.71 117.35 113.70 2k11 s TYR 73 Ca 0.36 -0.19 0.07 0.00 -1.01 0.00 0.00 57.07 56.29 2k11 s TYR 73 Cb -0.07 0.47 -0.02 0.00 -0.11 0.00 0.00 41.96 42.23 2k11 s TYR 73 CO 0.25 -0.98 -0.24 0.15 -1.11 0.00 0.00 175.55 173.62 2k11 s LYS 74 N -3.88 1.91 0.54 -0.62 1.02 -1.26 -2.80 119.74 114.66 2k11 s LYS 74 Ca 0.09 -0.85 -0.21 0.00 0.02 0.00 0.00 55.97 55.02 2k11 s LYS 74 Cb -0.02 -1.86 -0.05 0.00 -0.52 0.00 0.00 37.83 35.38 2k11 s LYS 74 CO -0.01 0.51 1.28 -1.13 -0.92 0.00 0.00 175.35 175.07 2k11 n SER 75 N 2.48 2.31 -0.28 2.83 3.41 -0.50 -4.41 113.62 119.47 2k11 n SER 75 Ca -0.16 0.96 -0.03 0.00 -0.26 0.00 0.00 58.87 59.38 2k11 n SER 75 Cb 0.52 -1.53 0.13 0.00 -0.26 0.00 0.00 64.21 63.07 2k11 n SER 75 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2k11 h ASN 76 N 1.31 1.03 -5.70 4.04 -0.73 -1.92 -3.45 115.58 110.15 2k11 h ASN 76 Ca -0.50 -0.10 -0.36 0.00 1.87 0.00 0.00 56.30 57.21 2k11 h ASN 76 Cb 1.32 -0.26 -0.11 0.00 0.27 0.00 0.00 38.32 39.53 2k11 h ASN 76 CO 0.56 0.84 -0.36 -0.44 -0.37 0.00 0.00 177.43 177.67 2k11 s SER 77 N -6.33 1.20 0.99 1.15 0.01 -1.26 -5.08 113.70 104.37 2k11 s SER 77 Ca -0.12 -1.60 -0.14 0.00 1.31 0.00 0.00 55.95 55.40 2k11 s SER 77 Cb 0.17 0.59 0.05 0.00 0.21 0.00 0.00 66.02 67.04 2k11 s SER 77 CO 0.82 -1.15 0.29 -1.54 0.41 0.00 0.00 173.24 172.07 2k11 n SER 78 N -1.37 -2.24 -3.74 2.44 3.41 -1.26 -4.30 113.62 106.56 2k11 n SER 78 Ca 0.04 0.23 -0.13 0.00 -0.26 0.00 0.00 58.87 58.75 2k11 n SER 78 Cb 0.62 -1.14 -0.10 0.00 -0.26 0.00 0.00 64.21 63.33 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 -3.56 0.50 -0.04 4.33 -1.94 0.16 -4.68 119.30 114.07 2k11 s MET 79 Ca 0.56 0.38 -0.30 0.00 -1.71 0.00 0.00 55.69 54.62 2k11 s MET 79 Cb -0.19 0.24 -0.05 0.00 2.01 0.00 0.00 34.83 36.84 2k11 s MET 79 CO 0.68 -0.08 1.43 -1.01 -0.01 0.00 0.00 175.02 176.02 2k11 s HIS 80 N -0.12 2.67 0.14 -0.03 3.76 -1.26 -0.75 115.29 119.71 2k11 s HIS 80 Ca -0.03 0.73 -0.07 0.00 -0.15 0.00 0.00 55.06 55.54 2k11 s HIS 80 Cb -0.03 -3.68 -0.02 0.00 1.11 0.00 0.00 32.58 29.96 2k11 s HIS 80 CO 0.01 -2.59 0.21 0.96 -0.85 0.00 0.00 174.74 172.48 2k11 s ILE 81 N 2.93 0.09 -0.30 0.60 -0.00 -0.84 0.09 121.20 123.78 2k11 s ILE 81 Ca 0.64 -1.49 0.01 0.00 -0.00 0.00 0.00 60.65 59.81 2k11 s ILE 81 Cb -0.30 -1.81 0.09 0.00 -0.00 0.00 0.00 42.46 40.44 2k11 s ILE 81 CO 0.25 -0.41 0.04 -0.89 -0.00 0.00 0.00 174.94 173.93 2k11 s THR 82 N -3.97 1.44 0.25 8.37 2.01 -0.99 -2.99 115.64 119.76 2k11 s THR 82 Ca 0.17 -1.60 -0.31 0.00 0.31 0.00 0.00 61.69 60.26 2k11 s THR 82 Cb 0.05 -1.98 -0.11 0.00 0.01 0.00 0.00 72.50 70.47 2k11 s THR 82 CO -0.02 -0.49 1.60 -0.62 -0.69 0.00 0.00 174.62 174.40 2k11 s ASP 83 N 1.36 6.43 -0.28 3.53 2.15 -0.70 -1.06 116.67 128.10 2k11 s ASP 83 Ca 0.06 2.86 -0.02 0.00 0.43 0.00 0.00 52.55 55.88 2k11 s ASP 83 Cb -0.18 -2.62 0.09 0.00 -0.30 0.00 0.00 42.92 39.91 2k11 s ASP 83 CO -0.15 -0.89 0.09 0.00 -0.17 0.00 0.00 175.17 174.05 2k11 s ARG 85 N 1.74 0.73 0.80 0.00 3.52 -1.16 0.11 118.95 124.68 2k11 s ARG 85 Ca 0.07 -0.30 -0.15 0.00 -0.13 0.00 0.00 55.73 55.23 2k11 s ARG 85 Cb -0.17 -0.70 -0.01 0.00 -1.56 0.00 0.00 34.95 32.51 2k11 s ARG 85 CO -0.24 0.17 0.53 1.28 -0.81 0.00 0.00 175.30 176.22 2k11 n LEU 86 N 2.96 0.72 -0.49 -0.88 4.77 -1.19 0.19 117.00 123.08 2k11 n LEU 86 Ca -0.14 0.51 0.01 0.00 -0.03 0.00 0.00 56.01 56.35 2k11 n LEU 86 Cb 0.57 -1.23 0.02 0.00 -2.33 0.00 0.00 43.42 40.45 2k11 n LEU 86 CO 0.25 -3.19 0.34 0.35 -1.33 0.00 0.00 177.39 173.80 2k11 n THR 87 N -2.79 0.15 -3.53 -5.08 -2.24 -1.07 -4.60 114.28 95.13 2k11 n THR 87 Ca 0.09 -0.08 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 2k11 n THR 87 Cb 0.51 -0.38 0.07 0.00 -2.10 0.00 0.00 70.33 68.43 2k11 n THR 87 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2k11 n ASN 88 N -0.04 -2.65 0.00 3.42 2.85 -1.26 -4.65 115.26 112.92 2k11 n ASN 88 Ca 0.02 -0.65 0.00 0.00 -0.11 0.00 0.00 54.58 53.83 2k11 n ASN 88 Cb 0.26 -4.86 0.00 0.00 1.24 0.00 0.00 39.78 36.42 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 -1.38 0.02 3.56 8.20 0.00 -1.26 -5.11 105.19 109.23 2k11 n GLY 89 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 2k11 n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k11 s SER 90 N 0.00 6.49 0.29 1.61 0.01 -1.26 -5.03 113.70 115.80 2k11 s SER 90 Ca 0.00 0.09 0.09 0.00 1.31 0.00 0.00 55.95 57.44 2k11 s SER 90 Cb 0.00 -2.46 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 2k11 s SER 90 CO 0.00 -1.09 0.05 -0.60 0.41 0.00 0.00 173.24 172.02 2k11 s ARG 91 N 3.84 2.37 0.28 12.44 3.00 -0.43 -4.50 118.95 135.94 2k11 s ARG 91 Ca 0.37 -1.43 -0.29 0.00 -1.00 0.00 0.00 55.73 53.38 2k11 s ARG 91 Cb -0.10 -2.20 -0.14 0.00 0.00 0.00 0.00 34.95 32.52 2k11 s ARG 91 CO 0.26 0.29 1.17 0.98 0.00 0.00 0.00 175.30 178.00 2k11 n TYR 92 N -0.99 1.67 0.27 5.12 4.19 -1.26 0.26 117.16 126.42 2k11 n TYR 92 Ca -0.06 0.62 0.16 0.00 3.31 0.00 0.00 57.90 61.94 2k11 n TYR 92 Cb 0.60 -2.33 0.68 0.00 0.49 0.00 0.00 39.34 38.77 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 2.69 0.00 -5.99 2.98 0.13 -1.98 -3.50 132.00 126.33 2k11 h PRO 93 Ca -0.43 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.07 2k11 h PRO 93 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 2k11 h PRO 93 CO 0.65 0.04 1.44 0.09 -0.23 0.00 0.00 178.00 179.99 2k11 n ASN 94 N -3.16 2.63 -0.23 1.44 5.03 0.72 -4.79 115.26 116.90 2k11 n ASN 94 Ca 0.00 0.34 0.08 0.00 0.87 0.00 0.00 54.58 55.87 2k11 n ASN 94 Cb 0.31 -1.39 0.14 0.00 -1.02 0.00 0.00 39.78 37.83 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 0.42 -2.02 0.00 0.00 -1.26 -4.67 120.51 111.94 2k11 n ALA 96 Ca 0.14 -0.31 -0.21 0.00 0.00 0.00 0.00 53.44 53.06 2k11 n ALA 96 Cb 0.61 -2.41 0.08 0.00 0.00 0.00 0.00 19.45 17.73 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 9.00 1.44 -0.35 0.00 2.02 -1.26 -2.59 117.35 125.62 2k11 s TYR 97 Ca 1.26 -0.57 -0.02 0.00 -0.37 0.00 0.00 57.07 57.38 2k11 s TYR 97 Cb -1.09 -2.50 0.08 0.00 -0.40 0.00 0.00 41.96 38.05 2k11 s TYR 97 CO 0.48 -1.38 0.10 1.03 -1.57 0.00 0.00 175.55 174.21 2k11 s ARG 98 N -4.85 2.12 -0.58 -0.62 3.00 0.51 -4.56 118.95 113.97 2k11 s ARG 98 Ca 0.64 -1.59 -0.28 0.00 0.00 0.00 0.00 55.73 54.50 2k11 s ARG 98 Cb -0.05 -3.37 0.02 0.00 0.00 0.00 0.00 34.95 31.55 2k11 s ARG 98 CO 0.41 -0.86 1.28 0.99 0.00 0.00 0.00 175.30 177.11 2k11 s THR 99 N 1.16 3.92 -0.46 0.02 2.01 -1.25 -3.01 115.64 118.03 2k11 s THR 99 Ca 0.03 0.80 -0.09 0.00 0.31 0.00 0.00 61.69 62.74 2k11 s THR 99 Cb -0.21 -4.63 0.11 0.00 0.01 0.00 0.00 72.50 67.78 2k11 s THR 99 CO -0.03 -1.31 0.33 -0.55 -0.69 0.00 0.00 174.62 172.37 2k11 s SER 100 N 3.52 5.68 0.03 3.53 0.15 0.16 -4.45 113.70 122.32 2k11 s SER 100 Ca 0.46 -1.87 -0.30 0.00 0.70 0.00 0.00 55.95 54.94 2k11 s SER 100 Cb -0.09 -2.00 -0.06 0.00 -1.71 0.00 0.00 66.02 62.16 2k11 s SER 100 CO 0.25 -0.67 1.43 -2.16 1.20 0.00 0.00 173.24 173.28 2k11 s PRO 101 N 1.36 4.28 0.19 5.44 0.04 -1.23 -1.72 135.00 143.36 2k11 s PRO 101 Ca 0.05 2.03 -0.24 0.00 0.04 0.00 0.00 61.00 62.89 2k11 s PRO 101 Cb -0.26 -3.52 0.05 0.00 0.04 0.00 0.00 34.50 30.82 2k11 s PRO 101 CO -0.01 -0.57 0.90 0.15 0.04 0.00 0.00 177.00 177.52 2k11 s LYS 102 N 2.18 1.38 -0.27 4.56 1.02 -1.16 -5.00 119.74 122.44 2k11 s LYS 102 Ca 0.65 -0.77 -0.02 0.00 0.02 0.00 0.00 55.97 55.84 2k11 s LYS 102 Cb -0.33 0.46 0.11 0.00 -0.52 0.00 0.00 37.83 37.55 2k11 s LYS 102 CO 0.28 -0.63 0.21 -1.83 -0.92 0.00 0.00 175.35 172.46 2k11 s GLU 103 N -3.35 0.24 0.27 1.68 -1.05 -1.26 -1.99 118.70 113.24 2k11 s GLU 103 Ca 0.13 -0.22 -0.08 0.00 -0.15 0.00 0.00 54.97 54.65 2k11 s GLU 103 Cb -0.03 -0.98 -0.01 0.00 -0.44 0.00 0.00 34.13 32.68 2k11 s GLU 103 CO 0.04 -0.95 0.42 0.50 0.95 0.00 0.00 175.26 176.22 2k11 s ARG 104 N 2.25 1.61 1.11 -4.83 6.06 0.07 -4.49 118.95 120.73 2k11 s ARG 104 Ca 0.08 -1.48 -0.16 0.00 -2.50 0.00 0.00 55.73 51.68 2k11 s ARG 104 Cb -0.15 0.43 0.21 0.00 0.06 0.00 0.00 34.95 35.50 2k11 s ARG 104 CO -0.30 -0.65 0.41 0.72 -2.50 0.00 0.00 175.30 172.98 2k11 n HIS 105 N -0.42 -2.52 -3.50 5.12 8.25 -1.26 -0.66 115.22 120.22 2k11 n HIS 105 Ca -0.00 -0.15 -0.17 0.00 -0.26 0.00 0.00 57.72 57.14 2k11 n HIS 105 Cb 0.62 -1.40 -0.05 0.00 1.12 0.00 0.00 29.99 30.29 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 -2.10 0.00 -0.21 1.59 -4.36 -1.26 -2.51 121.20 112.35 2k11 s ILE 106 Ca 0.44 0.00 0.02 0.00 -0.26 0.00 0.00 60.65 60.85 2k11 s ILE 106 Cb -0.08 -1.00 0.04 0.00 1.25 0.00 0.00 42.46 42.67 2k11 s ILE 106 CO 0.41 0.00 -0.15 -0.63 0.24 0.00 0.00 174.94 174.81 2k11 s ILE 107 N -1.69 2.00 0.19 8.37 1.01 -0.94 -1.41 121.20 128.73 2k11 s ILE 107 Ca -0.08 -1.18 0.09 0.00 0.00 0.00 0.00 60.65 59.48 2k11 s ILE 107 Cb -0.00 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 2k11 s ILE 107 CO 0.05 0.28 -0.18 0.68 0.00 0.00 0.00 174.94 175.77 2k11 s VAL 108 N 1.25 1.92 -0.45 2.92 -7.23 -1.12 -1.93 120.40 115.77 2k11 s VAL 108 Ca -0.01 -2.05 -0.10 0.00 -1.81 0.00 0.00 61.98 58.02 2k11 s VAL 108 Cb -0.16 -1.96 0.10 0.00 0.56 0.00 0.00 36.38 34.92 2k11 s VAL 108 CO -0.09 -0.37 0.32 0.00 -0.31 0.00 0.00 175.10 174.65 2k11 s ALA 109 N -2.27 3.37 0.20 1.32 0.00 -0.68 -2.54 121.76 121.14 2k11 s ALA 109 Ca 0.19 -2.38 -0.01 0.00 0.00 0.00 0.00 51.96 49.77 2k11 s ALA 109 Cb -0.05 -2.78 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 2k11 s ALA 109 CO 0.08 -1.81 0.39 0.00 0.00 0.00 0.00 175.76 174.42 2k11 s GLU 111 N -3.28 1.86 0.37 0.00 -6.30 -0.21 -4.80 118.70 106.33 2k11 s GLU 111 Ca 0.38 -1.18 0.00 0.00 -2.50 0.00 0.00 54.97 51.67 2k11 s GLU 111 Cb -0.11 0.53 0.00 0.00 0.00 0.00 0.00 34.13 34.55 2k11 s GLU 111 CO 0.29 -0.87 0.00 0.41 0.02 0.00 0.00 175.26 175.11 2k11 n GLY 112 N -0.58 -2.70 3.46 -1.50 0.00 -1.26 -3.39 105.19 99.22 2k11 n GLY 112 Ca -0.06 -1.21 -0.34 0.00 0.00 0.00 0.00 46.02 44.41 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 -6.40 4.71 1.04 1.61 0.01 -1.26 -2.14 113.70 111.27 2k11 s SER 113 Ca 0.00 -0.18 -0.13 0.00 1.31 0.00 0.00 55.95 56.95 2k11 s SER 113 Cb 0.00 -1.78 0.21 0.00 0.21 0.00 0.00 66.02 64.67 2k11 s SER 113 CO 0.00 0.13 1.10 -2.16 0.41 0.00 0.00 173.24 172.72 2k11 s PRO 114 N 0.57 0.07 -0.63 12.44 0.04 -1.26 -5.05 135.00 141.19 2k11 s PRO 114 Ca -0.03 0.40 -0.27 0.00 0.04 0.00 0.00 61.00 61.14 2k11 s PRO 114 Cb -0.14 -1.71 0.01 0.00 0.04 0.00 0.00 34.50 32.70 2k11 s PRO 114 CO 0.03 -2.95 1.53 -0.47 0.04 0.00 0.00 177.00 175.18 2k11 s TYR 115 N -2.97 2.07 0.09 0.56 5.04 -0.91 -4.82 117.35 116.41 2k11 s TYR 115 Ca 0.66 0.42 0.04 0.00 -2.44 0.00 0.00 57.07 55.75 2k11 s TYR 115 Cb -0.17 -4.36 -0.03 0.00 0.35 0.00 0.00 41.96 37.74 2k11 s TYR 115 CO 0.57 -2.14 -0.10 0.14 -1.34 0.00 0.00 175.55 172.68 2k11 s VAL 116 N 6.95 0.94 -0.14 3.14 -7.23 -1.22 -4.89 120.40 117.95 2k11 s VAL 116 Ca 0.53 -1.57 -0.29 0.00 -1.81 0.00 0.00 61.98 58.83 2k11 s VAL 116 Cb -0.11 -1.29 -0.04 0.00 0.56 0.00 0.00 36.38 35.51 2k11 s VAL 116 CO 0.21 -0.51 1.56 -2.16 -0.31 0.00 0.00 175.10 173.88 2k11 s PRO 117 N -2.61 4.03 -0.06 4.82 0.04 -1.26 -1.04 135.00 138.92 2k11 s PRO 117 Ca 0.04 1.87 0.11 0.00 0.04 0.00 0.00 61.00 63.05 2k11 s PRO 117 Cb -0.04 -3.96 0.28 0.00 0.04 0.00 0.00 34.50 30.82 2k11 s PRO 117 CO 0.00 -1.00 1.22 1.33 0.04 0.00 0.00 177.00 178.59 2k11 n VAL 118 N 5.83 1.44 -3.56 -0.36 0.24 -0.88 -4.74 118.33 116.30 2k11 n VAL 118 Ca 0.17 -1.40 -0.10 0.00 -2.04 0.00 0.00 64.34 60.97 2k11 n VAL 118 Cb 0.44 0.21 -0.05 0.00 -1.47 0.00 0.00 33.84 32.98 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 -1.71 -0.37 -0.07 6.34 5.65 -1.15 -4.71 115.29 119.26 2k11 s HIS 119 Ca 0.23 0.57 0.04 0.00 0.25 0.00 0.00 55.06 56.15 2k11 s HIS 119 Cb 0.17 0.46 -0.01 0.00 -1.18 0.00 0.00 32.58 32.02 2k11 s HIS 119 CO 0.08 -0.38 -0.21 0.12 -0.65 0.00 0.00 174.74 173.71 2k11 s PHE 120 N -1.49 2.57 0.00 3.88 2.19 -1.26 -1.69 117.98 122.18 2k11 s PHE 120 Ca -0.01 -0.63 0.00 0.00 0.33 0.00 0.00 56.93 56.63 2k11 s PHE 120 Cb -0.01 -1.66 0.00 0.00 -1.31 0.00 0.00 43.02 40.04 2k11 s PHE 120 CO -0.00 -0.15 0.00 -0.25 1.83 0.00 0.00 175.22 176.65 2k11 n ASP 121 N 2.98 0.00 -3.59 6.13 8.00 -0.81 -4.95 116.55 124.32 2k11 n ASP 121 Ca -0.18 0.02 -0.08 0.00 0.71 0.00 0.00 54.79 55.27 2k11 n ASP 121 Cb 0.52 -0.24 -0.04 0.00 -0.02 0.00 0.00 41.12 41.35 2k11 n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k11 s ALA 122 N -4.01 -1.98 0.49 2.24 0.00 -1.20 -5.05 121.76 112.26 2k11 s ALA 122 Ca 0.00 1.61 -0.19 0.00 0.00 0.00 0.00 51.96 53.38 2k11 s ALA 122 Cb 0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 23.12 22.32 2k11 s ALA 122 CO 0.00 -0.36 1.00 -1.12 0.00 0.00 0.00 175.76 175.28 2k11 s SER 123 N -1.35 6.51 0.60 0.00 0.01 -1.26 -2.21 113.70 116.00 2k11 s SER 123 Ca 0.03 1.74 0.08 0.00 1.31 0.00 0.00 55.95 59.11 2k11 s SER 123 Cb -0.01 -2.54 0.10 0.00 0.21 0.00 0.00 66.02 63.78 2k11 s SER 123 CO -0.02 -0.66 0.83 -0.69 0.41 0.00 0.00 173.24 173.10 2k11 s VAL 124 N -2.29 2.13 -0.10 3.43 1.01 -1.05 -4.91 120.40 118.62 2k11 s VAL 124 Ca 0.63 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.70 2k11 s VAL 124 Cb -0.12 -2.19 -0.09 0.00 0.00 0.00 0.00 36.38 33.98 2k11 s VAL 124 CO 0.24 0.00 -0.05 1.21 0.00 0.00 0.00 175.10 176.49 2k11 n GLU 125 N -2.34 1.10 -3.59 2.72 2.13 -1.26 -4.33 120.64 115.06 2k11 n GLU 125 Ca 0.16 0.04 -0.06 0.00 0.66 0.00 0.00 57.16 57.96 2k11 n GLU 125 Cb 0.61 -1.22 -0.02 0.00 0.27 0.00 0.00 31.44 31.08 2k11 n GLU 125 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2k11 s ASP 126 N -4.73 -0.28 0.00 4.31 -1.08 -1.26 -4.85 116.67 108.79 2k11 s ASP 126 Ca -0.11 -0.13 0.00 0.00 -0.52 0.00 0.00 52.55 51.79 2k11 s ASP 126 Cb 0.03 0.39 0.00 0.00 -1.46 0.00 0.00 42.92 41.88 2k11 s ASP 126 CO 0.29 -0.66 0.32 -0.24 0.52 0.00 0.00 175.17 175.40