#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 4.26 0.09 -1.58 2.56 -1.26 -5.08 118.70 117.69 2k11 s GLU 2 Ca 0.00 1.04 -0.10 0.00 0.00 0.00 0.00 54.97 55.91 2k11 s GLU 2 Cb 0.00 -2.44 0.00 0.00 2.00 0.00 0.00 34.13 33.69 2k11 s GLU 2 CO 0.00 0.12 0.22 -1.12 -0.56 0.00 0.00 175.26 173.93 2k11 s SER 3 N -2.03 0.05 0.02 -1.70 0.01 -1.26 -5.07 113.70 103.73 2k11 s SER 3 Ca 0.56 -0.56 -0.25 0.00 1.31 0.00 0.00 55.95 57.01 2k11 s SER 3 Cb -0.12 0.35 -0.18 0.00 0.21 0.00 0.00 66.02 66.28 2k11 s SER 3 CO 0.17 -0.73 1.42 -0.09 0.41 0.00 0.00 173.24 174.43 2k11 h ARG 4 N 2.78 -0.09 -1.18 12.44 9.65 -2.01 -2.98 114.38 132.99 2k11 h ARG 4 Ca -0.34 0.01 0.38 0.00 -1.10 0.00 0.00 59.98 58.93 2k11 h ARG 4 Cb 1.21 0.02 -0.13 0.00 -1.39 0.00 0.00 29.97 29.67 2k11 h ARG 4 CO 0.54 0.21 0.73 0.00 2.80 0.00 0.00 179.97 184.25 2k11 h ALA 5 N 0.52 2.44 -0.96 2.80 0.00 -1.94 0.61 119.26 122.73 2k11 h ALA 5 Ca -0.01 0.14 0.18 0.00 0.00 0.00 0.00 54.91 55.22 2k11 h ALA 5 Cb 0.34 0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.20 2k11 h ALA 5 CO 0.02 -1.05 0.56 0.87 0.00 0.00 0.00 179.25 179.65 2k11 h LYS 6 N 0.17 0.69 -0.90 0.00 1.79 -1.88 0.11 116.57 116.57 2k11 h LYS 6 Ca 0.77 -0.04 0.03 0.00 -2.18 0.00 0.00 60.65 59.23 2k11 h LYS 6 Cb 2.19 -0.16 -0.05 0.00 -1.58 0.00 0.00 32.23 32.64 2k11 h LYS 6 CO -0.48 0.46 0.59 0.87 -1.08 0.00 0.00 179.45 179.81 2k11 h LYS 7 N 0.71 1.12 -0.00 3.15 1.57 0.11 -1.15 116.57 122.08 2k11 h LYS 7 Ca 0.55 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 59.24 2k11 h LYS 7 Cb 0.85 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 2k11 h LYS 7 CO -0.39 0.74 -0.14 0.35 -0.57 0.00 0.00 179.45 179.45 2k11 h PHE 8 N 1.15 0.00 -0.02 -1.35 3.57 -0.82 -2.54 116.94 116.93 2k11 h PHE 8 Ca 0.35 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.84 2k11 h PHE 8 Cb -0.03 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 2k11 h PHE 8 CO -0.00 0.14 -0.00 1.96 -2.23 0.00 0.00 178.31 178.17 2k11 h GLN 9 N 0.00 0.04 0.00 1.11 7.50 -0.97 -2.55 115.11 120.24 2k11 h GLN 9 Ca -0.00 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.13 2k11 h GLN 9 Cb 0.24 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.77 2k11 h GLN 9 CO 0.02 0.38 0.00 0.54 -1.50 0.00 0.00 178.83 178.27 2k11 n ARG 10 N -4.89 0.79 -0.10 1.46 1.74 -1.06 -1.30 116.66 113.30 2k11 n ARG 10 Ca -0.08 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.88 2k11 n ARG 10 Cb 0.20 -1.18 -0.04 0.00 -1.02 0.00 0.00 32.46 30.42 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 -0.68 0.53 -0.01 5.56 1.13 -0.98 -4.88 117.38 118.05 2k11 n GLN 11 Ca 0.07 0.29 -0.02 0.00 -1.94 0.00 0.00 57.00 55.40 2k11 n GLN 11 Cb 0.03 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 28.87 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 -4.45 0.00 -1.85 1.08 8.25 -1.02 -4.96 115.22 112.28 2k11 n HIS 12 Ca -0.21 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.86 2k11 n HIS 12 Cb 0.55 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.53 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 2.58 -0.04 -0.41 -1.94 -0.42 -1.18 119.30 115.84 2k11 s MET 13 Ca -0.03 1.08 0.14 0.00 -1.71 0.00 0.00 55.69 55.17 2k11 s MET 13 Cb 0.01 -4.43 0.42 0.00 2.01 0.00 0.00 34.83 32.85 2k11 s MET 13 CO 0.07 -2.76 1.35 -0.40 -0.01 0.00 0.00 175.02 173.27 2k11 n ASP 14 N 13.42 3.39 -0.25 3.03 5.75 -0.20 -4.29 116.55 137.41 2k11 n ASP 14 Ca 0.27 -2.20 0.08 0.00 -0.01 0.00 0.00 54.79 52.93 2k11 n ASP 14 Cb 0.52 -0.35 0.17 0.00 -1.03 0.00 0.00 41.12 40.43 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 0.55 -0.14 -0.26 -1.12 3.41 0.14 -0.30 113.62 115.90 2k11 n SER 15 Ca 0.16 1.20 -0.07 0.00 -0.26 0.00 0.00 58.87 59.90 2k11 n SER 15 Cb 0.57 -0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 64.05 2k11 n SER 15 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k11 n ASP 16 N -5.01 -0.66 -3.50 4.04 2.03 -1.26 -4.45 116.55 107.74 2k11 n ASP 16 Ca 0.15 1.27 -0.30 0.00 0.52 0.00 0.00 54.79 56.43 2k11 n ASP 16 Cb 0.48 -0.22 0.29 0.00 -0.72 0.00 0.00 41.12 40.95 2k11 n ASP 16 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2k11 s SER 17 N -4.91 -1.06 0.29 1.67 0.15 0.58 -5.04 113.70 105.38 2k11 s SER 17 Ca -0.07 0.92 0.08 0.00 0.70 0.00 0.00 55.95 57.57 2k11 s SER 17 Cb 0.07 -1.31 -0.04 0.00 -1.71 0.00 0.00 66.02 63.03 2k11 s SER 17 CO 0.39 -5.37 0.17 -0.44 1.20 0.00 0.00 173.24 169.19 2k11 s SER 18 N -3.06 5.17 0.37 5.45 0.01 -1.26 -5.03 113.70 115.35 2k11 s SER 18 Ca 0.68 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.49 2k11 s SER 18 Cb -0.14 -1.11 0.00 0.00 0.21 0.00 0.00 66.02 64.98 2k11 s SER 18 CO 0.58 -0.14 0.00 -0.81 0.41 0.00 0.00 173.24 173.29 2k11 n PRO 19 N -1.17 0.26 -3.02 12.44 -0.04 -1.26 -4.67 135.00 137.54 2k11 n PRO 19 Ca -0.06 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.28 2k11 n PRO 19 Cb 0.59 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.11 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 -1.10 -2.62 -4.29 3.54 2.88 -1.26 -4.99 113.62 105.77 2k11 n SER 20 Ca 0.00 -0.41 -0.43 0.00 -1.33 0.00 0.00 58.87 56.70 2k11 n SER 20 Cb 0.00 -3.61 -0.07 0.00 -0.75 0.00 0.00 64.21 59.77 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 -3.78 5.96 -0.03 -3.46 0.01 -1.26 -4.83 113.70 106.32 2k11 s SER 21 Ca 0.08 -1.67 0.01 0.00 1.31 0.00 0.00 55.95 55.68 2k11 s SER 21 Cb -0.04 -2.11 -0.02 0.00 0.21 0.00 0.00 66.02 64.06 2k11 s SER 21 CO 0.49 -0.71 -0.02 -1.20 0.41 0.00 0.00 173.24 172.21 2k11 n SER 22 N 5.09 3.93 -2.81 2.44 7.64 -1.26 -3.43 113.62 125.22 2k11 n SER 22 Ca -0.11 -0.01 -0.03 0.00 1.01 0.00 0.00 58.87 59.73 2k11 n SER 22 Cb 0.41 0.08 0.03 0.00 -1.01 0.00 0.00 64.21 63.72 2k11 n SER 22 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k11 n SER 23 N -2.48 -1.65 0.00 6.43 7.64 -1.26 -4.39 113.62 117.91 2k11 n SER 23 Ca -0.04 -0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.52 2k11 n SER 23 Cb 0.55 -0.09 0.01 0.00 -1.01 0.00 0.00 64.21 63.67 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 -2.99 0.00 -0.21 0.44 -2.24 -1.26 -3.99 114.28 104.02 2k11 n THR 24 Ca 0.01 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.85 2k11 n THR 24 Cb 0.06 -0.49 0.12 0.00 -2.10 0.00 0.00 70.33 67.92 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 -0.55 0.29 0.33 4.78 4.19 -1.26 0.70 117.16 125.64 2k11 n TYR 25 Ca 0.00 0.73 -0.16 0.00 3.31 0.00 0.00 57.90 61.79 2k11 n TYR 25 Cb 0.00 -0.89 -0.08 0.00 0.49 0.00 0.00 39.34 38.86 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 -5.38 -0.58 0.03 0.00 2.85 0.22 -0.61 115.26 111.78 2k11 n ASN 27 Ca -0.12 1.06 -0.06 0.00 -0.11 0.00 0.00 54.58 55.35 2k11 n ASN 27 Cb 0.36 -0.16 -0.04 0.00 1.24 0.00 0.00 39.78 41.18 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 -0.17 -0.46 1.20 4.20 -1.51 -3.23 115.11 115.14 2k11 h GLN 28 Ca 0.12 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.89 2k11 h GLN 28 Cb 0.27 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.04 2k11 h GLN 28 CO -0.57 0.08 -0.27 -1.33 -0.67 0.00 0.00 178.83 176.06 2k11 n MET 29 N -4.87 -0.20 -0.33 1.46 2.81 0.10 0.25 117.12 116.33 2k11 n MET 29 Ca -0.04 0.84 0.09 0.00 -1.81 0.00 0.00 57.70 56.77 2k11 n MET 29 Cb 0.16 -1.23 0.25 0.00 -0.71 0.00 0.00 33.22 31.69 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 0.76 0.27 0.03 2.86 -1.02 -2.19 114.93 115.65 2k11 h MET 30 Ca 0.07 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2k11 h MET 30 Cb 0.19 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.68 2k11 h MET 30 CO -0.44 0.51 -0.13 -0.09 1.06 0.00 0.00 176.91 177.82 2k11 h ARG 31 N 0.79 -0.35 -0.78 1.72 2.43 0.33 -2.71 114.38 115.82 2k11 h ARG 31 Ca 0.50 0.02 0.23 0.00 -0.81 0.00 0.00 59.98 59.92 2k11 h ARG 31 Cb 0.66 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.26 2k11 h ARG 31 CO -0.33 -0.07 0.86 -0.09 -1.51 0.00 0.00 179.97 178.83 2k11 h ARG 32 N -0.62 0.00 -0.60 0.20 1.12 0.41 1.38 114.38 116.27 2k11 h ARG 32 Ca -0.04 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.83 2k11 h ARG 32 Cb 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.40 2k11 h ARG 32 CO 0.06 0.00 0.00 0.54 -3.11 0.00 0.00 179.97 177.46 2k11 n ARG 33 N -3.49 1.19 -3.95 0.20 5.12 -1.02 -4.85 116.66 109.86 2k11 n ARG 33 Ca 0.17 -0.18 -0.30 0.00 -1.93 0.00 0.00 57.85 55.60 2k11 n ARG 33 Cb 1.12 -1.34 0.02 0.00 -1.16 0.00 0.00 32.46 31.09 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 -0.12 -4.06 -0.33 0.55 3.02 0.47 -4.85 115.26 109.94 2k11 n ASN 34 Ca 0.02 -0.83 0.04 0.00 -0.03 0.00 0.00 54.58 53.78 2k11 n ASN 34 Cb 0.20 -3.67 0.04 0.00 -0.61 0.00 0.00 39.78 35.73 2k11 n ASN 34 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 2k11 n MET 35 N -4.59 0.18 -0.39 3.52 1.56 -1.21 -4.48 117.12 111.71 2k11 n MET 35 Ca 0.00 -1.00 0.08 0.00 -0.27 0.00 0.00 57.70 56.51 2k11 n MET 35 Cb 0.54 -1.16 0.24 0.00 2.15 0.00 0.00 33.22 34.99 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 0.46 2.01 -2.88 1.12 -2.24 -1.26 -4.48 114.28 107.01 2k11 n THR 36 Ca 0.05 -1.69 -0.42 0.00 -2.27 0.00 0.00 64.05 59.72 2k11 n THR 36 Cb 0.21 -0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.31 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 -2.43 4.21 0.00 -0.78 -0.21 -1.26 -4.03 119.66 115.16 2k11 s GLN 37 Ca 0.38 0.98 0.00 0.00 0.02 0.00 0.00 55.36 56.74 2k11 s GLN 37 Cb 0.29 -3.63 0.00 0.00 1.00 0.00 0.00 33.01 30.67 2k11 s GLN 37 CO 0.10 -0.48 0.00 0.41 -2.12 0.00 0.00 175.29 173.20 2k11 n GLY 38 N 3.66 2.29 3.20 3.09 0.00 -1.26 -4.93 105.19 111.24 2k11 n GLY 38 Ca 0.06 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 0.87 -0.31 1.61 0.52 -1.26 -5.07 118.95 115.32 2k11 s ARG 39 Ca 0.00 -1.12 -0.09 0.00 -0.52 0.00 0.00 55.73 54.00 2k11 s ARG 39 Cb 0.00 0.31 -0.01 0.00 0.52 0.00 0.00 34.95 35.77 2k11 s ARG 39 CO 0.00 -0.26 0.14 0.00 0.02 0.00 0.00 175.30 175.20 2k11 n LYS 41 N 4.97 1.65 -0.06 0.00 3.00 -1.26 -4.77 118.16 121.68 2k11 n LYS 41 Ca -0.14 0.59 -0.10 0.00 -0.00 0.00 0.00 58.31 58.65 2k11 n LYS 41 Cb 0.49 -2.17 0.04 0.00 0.00 0.00 0.00 35.03 33.39 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 3.80 0.74 -3.11 1.64 0.13 -1.97 -3.42 132.00 129.81 2k11 h PRO 42 Ca -0.44 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.30 2k11 h PRO 42 Cb 1.31 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.35 2k11 h PRO 42 CO 0.73 1.01 0.15 0.08 -0.23 0.00 0.00 178.00 179.74 2k11 s VAL 43 N -4.29 0.01 0.18 1.56 1.01 -1.26 -2.24 120.40 115.36 2k11 s VAL 43 Ca -0.09 -0.51 -0.23 0.00 0.00 0.00 0.00 61.98 61.15 2k11 s VAL 43 Cb 0.12 -1.44 0.07 0.00 0.00 0.00 0.00 36.38 35.13 2k11 s VAL 43 CO 0.85 -0.05 1.01 0.21 0.00 0.00 0.00 175.10 177.13 2k11 s ASN 44 N -2.83 -0.05 -0.21 3.32 2.47 0.43 -4.97 114.94 113.09 2k11 s ASN 44 Ca 0.06 -0.60 -0.08 0.00 0.42 0.00 0.00 52.86 52.66 2k11 s ASN 44 Cb -0.02 0.50 0.09 0.00 -1.45 0.00 0.00 41.25 40.37 2k11 s ASN 44 CO -0.05 -0.97 0.47 -0.89 -3.72 0.00 0.00 177.10 171.94 2k11 s THR 45 N -2.53 -0.59 0.78 -5.21 2.01 -1.26 -1.25 115.64 107.59 2k11 s THR 45 Ca 0.18 0.12 -0.02 0.00 0.31 0.00 0.00 61.69 62.28 2k11 s THR 45 Cb -0.02 -0.73 0.16 0.00 0.01 0.00 0.00 72.50 71.92 2k11 s THR 45 CO 0.04 0.05 1.07 -0.36 -0.69 0.00 0.00 174.62 174.73 2k11 s PHE 46 N 2.44 1.24 -0.02 4.92 0.40 -0.08 -4.73 117.98 122.16 2k11 s PHE 46 Ca -0.04 -0.33 -0.02 0.00 -0.60 0.00 0.00 56.93 55.94 2k11 s PHE 46 Cb -0.11 -3.12 0.01 0.00 0.51 0.00 0.00 43.02 40.30 2k11 s PHE 46 CO -0.14 -1.98 0.06 0.08 0.70 0.00 0.00 175.22 173.94 2k11 s VAL 47 N -3.28 0.01 -0.30 -0.44 1.01 -0.32 -2.41 120.40 114.67 2k11 s VAL 47 Ca 0.69 -0.05 0.15 0.00 0.00 0.00 0.00 61.98 62.77 2k11 s VAL 47 Cb -0.04 -0.12 0.45 0.00 0.00 0.00 0.00 36.38 36.68 2k11 s VAL 47 CO 0.46 -0.03 1.35 1.41 0.00 0.00 0.00 175.10 178.30 2k11 n HIS 48 N 2.95 0.73 -4.20 5.22 8.25 0.15 -0.68 115.22 127.64 2k11 n HIS 48 Ca -0.13 -0.81 -0.30 0.00 -0.26 0.00 0.00 57.72 56.22 2k11 n HIS 48 Cb 0.59 -0.24 -0.09 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 -2.47 2.24 0.17 -0.41 8.01 -1.25 -4.72 118.70 120.28 2k11 s GLU 49 Ca 0.37 -0.99 -0.30 0.00 0.01 0.00 0.00 54.97 54.05 2k11 s GLU 49 Cb 0.29 -2.36 -0.08 0.00 -4.31 0.00 0.00 34.13 27.66 2k11 s GLU 49 CO 0.09 0.51 1.32 -1.25 0.01 0.00 0.00 175.26 175.94 2k11 s PRO 50 N -2.29 4.38 0.13 0.39 0.04 -1.26 -4.41 135.00 131.98 2k11 s PRO 50 Ca 0.23 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 63.05 2k11 s PRO 50 Cb -0.11 -3.21 -0.06 0.00 0.04 0.00 0.00 34.50 31.16 2k11 s PRO 50 CO 0.15 -0.29 1.42 -0.11 0.04 0.00 0.00 177.00 178.21 2k11 n LEU 51 N 2.95 -0.89 -0.27 -3.56 7.94 -1.26 0.68 117.00 122.60 2k11 n LEU 51 Ca 0.07 1.62 0.24 0.00 -1.11 0.00 0.00 56.01 56.83 2k11 n LEU 51 Cb 0.43 -0.25 0.41 0.00 0.53 0.00 0.00 43.42 44.53 2k11 n LEU 51 CO 0.58 -1.28 0.73 0.55 -1.11 0.00 0.00 177.39 176.86 2k11 n VAL 52 N -4.91 -0.18 0.10 1.96 3.14 -1.26 0.03 118.33 117.20 2k11 n VAL 52 Ca 0.02 1.15 -0.04 0.00 -2.96 0.00 0.00 64.34 62.51 2k11 n VAL 52 Cb 0.22 -1.89 -0.02 0.00 -1.06 0.00 0.00 33.84 31.09 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 -0.23 -0.90 6.55 3.58 -0.11 -2.84 116.42 122.47 2k11 h ASP 53 Ca 0.54 0.01 0.22 0.00 0.42 0.00 0.00 57.03 58.22 2k11 h ASP 53 Cb 1.68 0.06 -0.06 0.00 1.72 0.00 0.00 39.33 42.72 2k11 h ASP 53 CO -0.34 -0.13 0.61 0.58 -2.88 0.00 0.00 179.24 177.08 2k11 h VAL 54 N -0.33 0.64 -0.28 2.25 2.07 -0.41 -0.80 116.25 119.38 2k11 h VAL 54 Ca -0.03 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.43 2k11 h VAL 54 Cb 0.20 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 2k11 h VAL 54 CO 0.04 0.06 0.03 1.56 0.02 0.00 0.00 177.57 179.28 2k11 h GLN 55 N 0.31 0.12 -0.49 1.57 4.20 -0.94 -0.42 115.11 119.45 2k11 h GLN 55 Ca 0.46 -0.01 0.14 0.00 0.06 0.00 0.00 58.65 59.31 2k11 h GLN 55 Cb 1.31 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.04 2k11 h GLN 55 CO -0.14 0.08 0.54 -0.91 -0.67 0.00 0.00 178.83 177.72 2k11 h ASN 56 N 0.12 0.00 -0.59 1.46 2.35 -0.89 0.51 115.58 118.54 2k11 h ASN 56 Ca 0.13 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.89 2k11 h ASN 56 Cb 0.16 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 2k11 h ASN 56 CO -0.20 0.00 0.39 0.58 -1.65 0.00 0.00 177.43 176.55 2k11 h VAL 57 N 0.00 1.15 0.00 2.81 2.07 -1.11 -0.49 116.25 120.68 2k11 h VAL 57 Ca 0.23 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2k11 h VAL 57 Cb 1.30 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2k11 h VAL 57 CO -0.00 0.15 0.07 0.00 0.02 0.00 0.00 177.57 177.80 2k11 n PHE 59 N -1.79 0.01 -0.01 0.00 3.72 -0.32 -4.81 117.46 114.27 2k11 n PHE 59 Ca -0.01 -0.07 -0.01 0.00 -0.05 0.00 0.00 57.45 57.32 2k11 n PHE 59 Cb 0.08 -0.01 -0.00 0.00 -0.94 0.00 0.00 39.48 38.61 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 0.08 0.05 -4.47 -1.08 6.02 0.12 -5.08 117.38 113.01 2k11 n GLN 60 Ca 0.02 0.07 -0.24 0.00 -0.01 0.00 0.00 57.00 56.84 2k11 n GLN 60 Cb 0.09 -0.64 -0.09 0.00 1.02 0.00 0.00 30.24 30.63 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 -1.17 1.81 0.04 -1.09 2.12 -0.99 -5.09 118.70 114.34 2k11 s GLU 61 Ca -0.02 -2.07 -0.00 0.00 0.36 0.00 0.00 54.97 53.23 2k11 s GLU 61 Cb 0.00 -0.61 -0.03 0.00 0.26 0.00 0.00 34.13 33.76 2k11 s GLU 61 CO 0.04 -0.40 -0.03 0.21 -0.54 0.00 0.00 175.26 174.53 2k11 s LYS 62 N -3.78 0.52 0.25 4.30 2.36 -1.26 -4.33 119.74 117.80 2k11 s LYS 62 Ca 0.29 -1.01 -0.04 0.00 -2.55 0.00 0.00 55.97 52.66 2k11 s LYS 62 Cb 0.04 0.13 -0.02 0.00 -1.05 0.00 0.00 37.83 36.93 2k11 s LYS 62 CO 0.15 -0.08 0.30 0.14 1.55 0.00 0.00 175.35 177.41 2k11 s VAL 63 N -2.98 0.00 0.48 4.02 -7.23 -0.53 -4.65 120.40 109.50 2k11 s VAL 63 Ca -0.01 -1.76 0.06 0.00 -1.81 0.00 0.00 61.98 58.46 2k11 s VAL 63 Cb 0.01 -2.43 0.03 0.00 0.56 0.00 0.00 36.38 34.55 2k11 s VAL 63 CO -0.06 0.00 0.65 -0.89 -0.31 0.00 0.00 175.10 174.49 2k11 s THR 64 N -3.89 2.80 0.19 5.32 2.01 -1.26 -4.09 115.64 116.73 2k11 s THR 64 Ca 0.33 -0.91 -0.01 0.00 0.31 0.00 0.00 61.69 61.41 2k11 s THR 64 Cb 0.03 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 2k11 s THR 64 CO 0.14 0.00 0.11 0.00 -0.69 0.00 0.00 174.62 174.18 2k11 h LYS 66 N 2.64 0.62 -0.69 0.00 3.64 -2.00 0.68 116.57 121.46 2k11 h LYS 66 Ca -0.36 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2k11 h LYS 66 Cb 1.24 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2k11 h LYS 66 CO 0.55 0.41 0.00 0.09 -2.27 0.00 0.00 179.45 178.23 2k11 n ASN 67 N -4.86 1.14 -2.96 4.20 3.02 -1.26 -4.85 115.26 109.70 2k11 n ASN 67 Ca 0.20 -2.06 -0.16 0.00 -0.03 0.00 0.00 54.58 52.53 2k11 n ASN 67 Cb 0.51 -0.38 -0.01 0.00 -0.61 0.00 0.00 39.78 39.30 2k11 n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k11 n GLY 68 N 0.23 -0.49 3.92 7.41 0.00 0.24 -4.92 105.19 111.58 2k11 n GLY 68 Ca 0.03 0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 -5.55 2.64 -0.32 1.61 -0.21 -1.26 -4.85 119.66 111.72 2k11 s GLN 69 Ca 0.21 -0.13 0.08 0.00 0.02 0.00 0.00 55.36 55.54 2k11 s GLN 69 Cb -0.12 -2.24 0.49 0.00 1.00 0.00 0.00 33.01 32.14 2k11 s GLN 69 CO 0.26 -0.90 1.44 0.41 -2.12 0.00 0.00 175.29 174.38 2k11 n GLY 70 N -2.70 5.27 0.67 3.09 0.00 -1.26 -3.94 105.19 106.32 2k11 n GLY 70 Ca 0.06 -1.57 0.06 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.04 3.05 -4.79 1.61 2.04 -1.26 -4.99 115.26 109.88 2k11 n ASN 71 Ca 0.36 -2.13 -0.28 0.00 -0.44 0.00 0.00 54.58 52.09 2k11 n ASN 71 Cb 0.97 -0.27 -0.06 0.00 -2.53 0.00 0.00 39.78 37.89 2k11 n ASN 71 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2k11 s TYR 73 N -1.57 -0.26 -0.13 0.00 1.51 -0.80 -1.46 117.35 114.65 2k11 s TYR 73 Ca 0.30 -0.02 -0.02 0.00 -1.01 0.00 0.00 57.07 56.32 2k11 s TYR 73 Cb -0.11 0.31 -0.02 0.00 -0.11 0.00 0.00 41.96 42.03 2k11 s TYR 73 CO 0.23 -0.72 -0.08 0.15 -1.11 0.00 0.00 175.55 174.02 2k11 s LYS 74 N -3.75 3.42 0.08 -0.62 1.02 -1.26 -2.41 119.74 116.22 2k11 s LYS 74 Ca 0.02 -0.59 -0.34 0.00 0.02 0.00 0.00 55.97 55.08 2k11 s LYS 74 Cb 0.01 -2.75 -0.14 0.00 -0.52 0.00 0.00 37.83 34.43 2k11 s LYS 74 CO -0.12 0.29 1.64 -1.13 -0.92 0.00 0.00 175.35 175.12 2k11 n SER 75 N 3.33 3.05 -0.07 2.83 3.41 0.71 -4.51 113.62 122.37 2k11 n SER 75 Ca -0.18 1.06 -0.02 0.00 -0.26 0.00 0.00 58.87 59.47 2k11 n SER 75 Cb 0.53 -1.38 -0.02 0.00 -0.26 0.00 0.00 64.21 63.08 2k11 n SER 75 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2k11 n ASN 76 N 4.24 -0.17 -4.56 4.04 0.23 -1.26 -4.66 115.26 113.12 2k11 n ASN 76 Ca 0.19 0.87 -0.31 0.00 -0.53 0.00 0.00 54.58 54.79 2k11 n ASN 76 Cb 0.28 -0.33 -0.08 0.00 -2.08 0.00 0.00 39.78 37.57 2k11 n ASN 76 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2k11 s SER 77 N -3.51 3.76 1.05 0.53 1.04 -1.26 -4.84 113.70 110.48 2k11 s SER 77 Ca -0.02 -1.69 -0.16 0.00 0.48 0.00 0.00 55.95 54.56 2k11 s SER 77 Cb 0.02 0.59 0.08 0.00 0.10 0.00 0.00 66.02 66.80 2k11 s SER 77 CO 0.10 -0.91 0.16 -1.20 0.98 0.00 0.00 173.24 172.37 2k11 n SER 78 N -1.32 -2.29 -3.60 7.02 7.64 -1.26 -4.42 113.62 115.39 2k11 n SER 78 Ca -0.16 0.06 -0.16 0.00 1.01 0.00 0.00 58.87 59.62 2k11 n SER 78 Cb 0.66 -1.05 -0.07 0.00 -1.01 0.00 0.00 64.21 62.74 2k11 n SER 78 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2k11 s MET 79 N -3.51 0.90 0.19 1.43 -1.94 -0.28 -4.68 119.30 111.41 2k11 s MET 79 Ca 0.56 0.45 -0.32 0.00 -1.71 0.00 0.00 55.69 54.67 2k11 s MET 79 Cb -0.16 0.43 -0.11 0.00 2.01 0.00 0.00 34.83 37.00 2k11 s MET 79 CO 0.67 -0.22 1.67 -1.01 -0.01 0.00 0.00 175.02 176.11 2k11 s HIS 80 N -0.63 2.95 0.05 -0.03 3.76 -1.26 -0.05 115.29 120.08 2k11 s HIS 80 Ca -0.07 0.44 -0.17 0.00 -0.15 0.00 0.00 55.06 55.10 2k11 s HIS 80 Cb -0.02 -4.06 0.03 0.00 1.11 0.00 0.00 32.58 29.64 2k11 s HIS 80 CO 0.06 -4.00 0.39 0.96 -0.85 0.00 0.00 174.74 171.30 2k11 s ILE 81 N 1.20 0.06 -0.36 0.60 -0.00 -0.27 -0.67 121.20 121.76 2k11 s ILE 81 Ca 0.73 -0.50 0.00 0.00 -0.00 0.00 0.00 60.65 60.89 2k11 s ILE 81 Cb -0.47 -0.95 0.10 0.00 -0.00 0.00 0.00 42.46 41.13 2k11 s ILE 81 CO 0.32 -0.27 0.10 -0.89 -0.00 0.00 0.00 174.94 174.20 2k11 s THR 82 N -2.51 2.81 0.22 8.37 2.01 -1.01 -2.58 115.64 122.95 2k11 s THR 82 Ca -0.05 -2.04 -0.31 0.00 0.31 0.00 0.00 61.69 59.59 2k11 s THR 82 Cb -0.01 -2.92 -0.11 0.00 0.01 0.00 0.00 72.50 69.47 2k11 s THR 82 CO -0.03 -0.54 1.66 -0.62 -0.69 0.00 0.00 174.62 174.40 2k11 s ASP 83 N 1.37 6.43 -0.29 3.53 2.15 -0.69 -0.90 116.67 128.27 2k11 s ASP 83 Ca 0.06 2.83 -0.01 0.00 0.43 0.00 0.00 52.55 55.87 2k11 s ASP 83 Cb -0.21 -2.61 0.09 0.00 -0.30 0.00 0.00 42.92 39.90 2k11 s ASP 83 CO -0.05 -0.92 0.08 0.00 -0.17 0.00 0.00 175.17 174.10 2k11 s ARG 85 N 1.59 1.51 1.04 0.00 3.52 -1.19 0.16 118.95 125.58 2k11 s ARG 85 Ca 0.07 -0.58 -0.16 0.00 -0.13 0.00 0.00 55.73 54.93 2k11 s ARG 85 Cb -0.17 -1.38 0.07 0.00 -1.56 0.00 0.00 34.95 31.90 2k11 s ARG 85 CO -0.21 0.29 0.15 1.28 -0.81 0.00 0.00 175.30 176.00 2k11 n LEU 86 N 2.93 -1.48 -4.35 -0.88 4.77 -0.95 0.24 117.00 117.29 2k11 n LEU 86 Ca -0.16 0.08 -0.20 0.00 -0.03 0.00 0.00 56.01 55.69 2k11 n LEU 86 Cb 0.54 -1.06 -0.09 0.00 -2.33 0.00 0.00 43.42 40.48 2k11 n LEU 86 CO 0.25 -3.37 -0.17 0.42 -1.33 0.00 0.00 177.39 173.19 2k11 s THR 87 N -2.30 0.25 0.29 -5.08 -4.23 -0.84 -4.53 115.64 99.20 2k11 s THR 87 Ca 0.56 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.77 2k11 s THR 87 Cb -0.16 -2.47 -0.12 0.00 1.34 0.00 0.00 72.50 71.09 2k11 s THR 87 CO 0.67 0.00 1.57 -3.20 -0.54 0.00 0.00 174.62 173.12 2k11 n ASN 88 N -1.18 3.74 -1.99 3.99 2.85 -1.26 -1.56 115.26 119.86 2k11 n ASN 88 Ca 0.02 1.15 -0.21 0.00 -0.11 0.00 0.00 54.58 55.43 2k11 n ASN 88 Cb 0.64 -1.58 -0.05 0.00 1.24 0.00 0.00 39.78 40.03 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 2.11 0.75 0.24 8.20 0.00 -1.26 -4.83 105.19 110.39 2k11 n GLY 89 Ca 0.09 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.67 2.61 -4.88 1.61 7.64 -0.60 -4.90 113.62 113.43 2k11 n SER 90 Ca -0.23 -2.86 -0.29 0.00 1.01 0.00 0.00 58.87 56.50 2k11 n SER 90 Cb 0.69 -0.38 0.10 0.00 -1.01 0.00 0.00 64.21 63.60 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 -2.50 1.86 0.29 1.43 6.06 -1.10 -2.34 118.95 122.66 2k11 s ARG 91 Ca 0.29 0.17 -0.29 0.00 -2.50 0.00 0.00 55.73 53.40 2k11 s ARG 91 Cb 0.24 -1.93 -0.14 0.00 0.06 0.00 0.00 34.95 33.18 2k11 s ARG 91 CO 0.04 -1.68 1.14 0.98 -2.50 0.00 0.00 175.30 173.28 2k11 n TYR 92 N -3.38 1.66 0.33 5.12 4.19 -1.26 0.28 117.16 124.08 2k11 n TYR 92 Ca 0.08 0.63 0.15 0.00 3.31 0.00 0.00 57.90 62.07 2k11 n TYR 92 Cb 0.60 -2.32 0.62 0.00 0.49 0.00 0.00 39.34 38.73 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 2.42 0.00 -6.70 2.98 0.13 -1.97 -3.50 132.00 125.36 2k11 h PRO 93 Ca -0.42 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.17 2k11 h PRO 93 Cb 1.32 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.52 2k11 h PRO 93 CO 0.63 0.00 0.89 0.09 -0.23 0.00 0.00 178.00 179.38 2k11 n ASN 94 N -2.73 3.73 -0.09 1.44 4.13 0.79 -4.86 115.26 117.67 2k11 n ASN 94 Ca 0.01 1.11 0.07 0.00 1.68 0.00 0.00 54.58 57.45 2k11 n ASN 94 Cb 0.26 -1.56 0.10 0.00 -1.54 0.00 0.00 39.78 37.05 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 -1.13 0.65 -2.01 0.00 0.00 -1.14 -4.50 120.51 112.38 2k11 n ALA 96 Ca 0.12 -0.52 -0.22 0.00 0.00 0.00 0.00 53.44 52.82 2k11 n ALA 96 Cb 0.57 -2.73 0.09 0.00 0.00 0.00 0.00 19.45 17.39 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 10.06 1.43 -0.40 0.00 2.02 -1.26 -1.99 117.35 127.20 2k11 s TYR 97 Ca 1.15 -0.48 -0.04 0.00 -0.37 0.00 0.00 57.07 57.32 2k11 s TYR 97 Cb -0.72 -2.68 0.10 0.00 -0.40 0.00 0.00 41.96 38.26 2k11 s TYR 97 CO 0.39 -1.53 0.20 1.03 -1.57 0.00 0.00 175.55 174.07 2k11 s ARG 98 N -4.96 2.18 -0.63 -0.62 1.81 0.67 -4.46 118.95 112.93 2k11 s ARG 98 Ca 0.65 -1.69 -0.27 0.00 -1.72 0.00 0.00 55.73 52.69 2k11 s ARG 98 Cb -0.05 -3.59 0.01 0.00 -0.45 0.00 0.00 34.95 30.87 2k11 s ARG 98 CO 0.42 -1.01 1.51 0.99 -0.68 0.00 0.00 175.30 176.54 2k11 s THR 99 N 1.21 3.63 -0.44 0.02 2.01 -1.25 -3.19 115.64 117.64 2k11 s THR 99 Ca 0.06 0.45 -0.06 0.00 0.31 0.00 0.00 61.69 62.45 2k11 s THR 99 Cb -0.23 -4.43 0.12 0.00 0.01 0.00 0.00 72.50 67.97 2k11 s THR 99 CO -0.03 -1.30 0.27 -0.44 -0.69 0.00 0.00 174.62 172.44 2k11 s SER 100 N 5.30 5.46 -0.04 3.53 0.01 -0.03 -4.39 113.70 123.54 2k11 s SER 100 Ca 0.52 -1.99 -0.30 0.00 1.31 0.00 0.00 55.95 55.49 2k11 s SER 100 Cb -0.11 -1.91 -0.05 0.00 0.21 0.00 0.00 66.02 64.16 2k11 s SER 100 CO 0.21 -0.61 1.48 -2.16 0.41 0.00 0.00 173.24 172.57 2k11 s PRO 101 N 1.22 4.23 0.13 12.44 0.04 -1.22 -1.70 135.00 150.15 2k11 s PRO 101 Ca 0.07 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 62.87 2k11 s PRO 101 Cb -0.24 -3.75 0.07 0.00 0.04 0.00 0.00 34.50 30.62 2k11 s PRO 101 CO -0.03 -0.71 1.02 0.21 0.04 0.00 0.00 177.00 177.54 2k11 s LYS 102 N 3.19 1.09 -0.07 4.56 2.20 -1.07 -5.00 119.74 124.64 2k11 s LYS 102 Ca 0.66 -0.62 -0.01 0.00 -0.36 0.00 0.00 55.97 55.65 2k11 s LYS 102 Cb -0.31 0.36 0.03 0.00 -1.51 0.00 0.00 37.83 36.40 2k11 s LYS 102 CO 0.26 -0.50 -0.03 -1.83 -0.36 0.00 0.00 175.35 172.89 2k11 s GLU 103 N -3.03 0.86 0.24 4.03 -1.05 -1.26 -1.11 118.70 117.38 2k11 s GLU 103 Ca 0.14 -0.02 -0.22 0.00 -0.15 0.00 0.00 54.97 54.72 2k11 s GLU 103 Cb -0.01 -1.07 0.03 0.00 -0.44 0.00 0.00 34.13 32.65 2k11 s GLU 103 CO 0.02 -0.24 0.70 0.50 0.95 0.00 0.00 175.26 177.19 2k11 s ARG 104 N 1.65 1.63 1.12 -4.83 3.52 0.93 -4.64 118.95 118.33 2k11 s ARG 104 Ca 0.01 -0.84 -0.17 0.00 -0.13 0.00 0.00 55.73 54.60 2k11 s ARG 104 Cb -0.13 0.60 0.19 0.00 -1.56 0.00 0.00 34.95 34.05 2k11 s ARG 104 CO -0.04 -0.74 0.32 0.72 -0.81 0.00 0.00 175.30 174.75 2k11 n HIS 105 N -0.44 -2.25 -3.49 5.12 8.25 -1.22 -1.12 115.22 120.06 2k11 n HIS 105 Ca -0.07 -0.09 -0.10 0.00 -0.26 0.00 0.00 57.72 57.19 2k11 n HIS 105 Cb 0.61 -1.44 -0.02 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 -2.14 0.00 -0.05 1.59 -4.36 -1.26 -2.41 121.20 112.57 2k11 s ILE 106 Ca 0.48 -0.12 0.03 0.00 -0.26 0.00 0.00 60.65 60.78 2k11 s ILE 106 Cb -0.09 -1.13 0.01 0.00 1.25 0.00 0.00 42.46 42.50 2k11 s ILE 106 CO 0.48 0.00 -0.14 -0.63 0.24 0.00 0.00 174.94 174.89 2k11 s ILE 107 N -3.62 1.23 0.09 8.37 1.01 -0.76 -0.20 121.20 127.32 2k11 s ILE 107 Ca 0.03 -0.57 -0.00 0.00 0.00 0.00 0.00 60.65 60.11 2k11 s ILE 107 Cb -0.01 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 2k11 s ILE 107 CO -0.10 0.37 -0.01 0.68 0.00 0.00 0.00 174.94 175.88 2k11 s VAL 108 N 0.36 0.31 -0.40 2.92 -7.23 -1.01 -1.05 120.40 114.29 2k11 s VAL 108 Ca -0.09 -1.87 -0.04 0.00 -1.81 0.00 0.00 61.98 58.16 2k11 s VAL 108 Cb -0.13 -1.72 0.10 0.00 0.56 0.00 0.00 36.38 35.19 2k11 s VAL 108 CO 0.03 -0.81 0.21 0.00 -0.31 0.00 0.00 175.10 174.21 2k11 s ALA 109 N -3.88 3.16 0.14 1.32 0.00 -0.16 -1.90 121.76 120.46 2k11 s ALA 109 Ca 0.13 -2.38 -0.04 0.00 0.00 0.00 0.00 51.96 49.67 2k11 s ALA 109 Cb 0.07 -2.44 -0.05 0.00 0.00 0.00 0.00 23.12 20.69 2k11 s ALA 109 CO -0.05 -1.73 0.37 0.00 0.00 0.00 0.00 175.76 174.35 2k11 s GLU 111 N -2.70 1.48 2.78 0.00 2.12 -0.18 -4.75 118.70 117.44 2k11 s GLU 111 Ca 0.41 -0.94 0.00 0.00 0.36 0.00 0.00 54.97 54.80 2k11 s GLU 111 Cb -0.12 0.42 0.00 0.00 0.26 0.00 0.00 34.13 34.69 2k11 s GLU 111 CO 0.25 -0.69 0.00 0.41 -0.54 0.00 0.00 175.26 174.69 2k11 n GLY 112 N -0.65 0.01 3.49 -1.50 0.00 -1.26 -3.72 105.19 101.56 2k11 n GLY 112 Ca -0.04 -1.18 -0.06 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.77 1.22 1.61 0.15 -1.26 -4.19 113.70 106.46 2k11 s SER 113 Ca 0.00 1.31 -0.20 0.00 0.70 0.00 0.00 55.95 57.76 2k11 s SER 113 Cb 0.00 1.63 0.30 0.00 -1.71 0.00 0.00 66.02 66.23 2k11 s SER 113 CO 0.00 -0.22 1.11 -2.16 1.20 0.00 0.00 173.24 173.17 2k11 s PRO 114 N 2.33 -1.40 -0.59 5.44 0.04 -1.26 -5.03 135.00 134.53 2k11 s PRO 114 Ca -0.06 -0.14 -0.27 0.00 0.04 0.00 0.00 61.00 60.57 2k11 s PRO 114 Cb -0.10 -1.58 -0.01 0.00 0.04 0.00 0.00 34.50 32.85 2k11 s PRO 114 CO -0.17 -3.82 1.68 -0.47 0.04 0.00 0.00 177.00 174.27 2k11 s TYR 115 N -3.02 1.89 0.07 0.56 5.04 -1.26 -4.80 117.35 115.83 2k11 s TYR 115 Ca 0.72 0.59 0.02 0.00 -2.44 0.00 0.00 57.07 55.96 2k11 s TYR 115 Cb -0.09 -4.23 -0.03 0.00 0.35 0.00 0.00 41.96 37.96 2k11 s TYR 115 CO 0.56 -2.27 -0.08 0.14 -1.34 0.00 0.00 175.55 172.56 2k11 s VAL 116 N 7.78 0.67 -0.23 3.14 -7.23 -1.24 -4.90 120.40 118.40 2k11 s VAL 116 Ca 0.61 -1.47 -0.29 0.00 -1.81 0.00 0.00 61.98 59.02 2k11 s VAL 116 Cb -0.13 -1.11 -0.03 0.00 0.56 0.00 0.00 36.38 35.68 2k11 s VAL 116 CO 0.22 -0.57 1.61 -2.16 -0.31 0.00 0.00 175.10 173.89 2k11 s PRO 117 N -2.55 3.78 -0.07 4.82 0.04 -1.26 -1.02 135.00 138.75 2k11 s PRO 117 Ca 0.00 1.65 0.13 0.00 0.04 0.00 0.00 61.00 62.82 2k11 s PRO 117 Cb -0.04 -4.04 0.39 0.00 0.04 0.00 0.00 34.50 30.86 2k11 s PRO 117 CO -0.01 -1.31 1.32 1.33 0.04 0.00 0.00 177.00 178.37 2k11 n VAL 118 N 6.43 1.49 -3.56 -0.36 0.24 -0.61 -4.77 118.33 117.19 2k11 n VAL 118 Ca 0.19 -1.32 -0.10 0.00 -2.04 0.00 0.00 64.34 61.06 2k11 n VAL 118 Cb 0.45 0.22 -0.05 0.00 -1.47 0.00 0.00 33.84 32.99 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 -1.68 -0.37 -0.06 6.34 5.65 -1.11 -4.73 115.29 119.32 2k11 s HIS 119 Ca 0.30 0.56 0.03 0.00 0.25 0.00 0.00 55.06 56.21 2k11 s HIS 119 Cb 0.20 0.47 -0.02 0.00 -1.18 0.00 0.00 32.58 32.05 2k11 s HIS 119 CO 0.13 -0.38 -0.15 0.12 -0.65 0.00 0.00 174.74 173.81 2k11 s PHE 120 N -1.50 2.70 0.00 3.88 2.19 -1.26 -0.99 117.98 123.00 2k11 s PHE 120 Ca -0.01 -0.27 0.00 0.00 0.33 0.00 0.00 56.93 56.98 2k11 s PHE 120 Cb -0.01 -1.66 0.00 0.00 -1.31 0.00 0.00 43.02 40.05 2k11 s PHE 120 CO -0.00 0.10 0.00 -3.47 1.83 0.00 0.00 175.22 173.68 2k11 n ASP 121 N 2.54 0.00 -3.58 6.13 2.03 -0.22 -4.91 116.55 118.54 2k11 n ASP 121 Ca -0.17 0.02 -0.07 0.00 0.52 0.00 0.00 54.79 55.08 2k11 n ASP 121 Cb 0.52 -0.21 -0.04 0.00 -0.72 0.00 0.00 41.12 40.68 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 -4.11 -1.98 0.04 -1.67 0.00 -1.19 -5.02 121.76 107.83 2k11 s ALA 122 Ca 0.00 1.56 -0.30 0.00 0.00 0.00 0.00 51.96 53.22 2k11 s ALA 122 Cb 0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 2k11 s ALA 122 CO 0.00 -0.41 1.05 -1.54 0.00 0.00 0.00 175.76 174.86 2k11 s SER 123 N -1.51 7.30 0.57 0.00 1.04 -1.26 -1.83 113.70 118.02 2k11 s SER 123 Ca 0.03 1.81 0.07 0.00 0.48 0.00 0.00 55.95 58.34 2k11 s SER 123 Cb -0.01 -2.58 0.08 0.00 0.10 0.00 0.00 66.02 63.61 2k11 s SER 123 CO -0.03 -0.29 0.79 0.68 0.98 0.00 0.00 173.24 175.37 2k11 s VAL 124 N 0.80 2.32 -0.08 5.02 -7.23 -1.01 -4.92 120.40 115.30 2k11 s VAL 124 Ca 0.53 -0.90 0.02 0.00 -1.81 0.00 0.00 61.98 59.82 2k11 s VAL 124 Cb -0.24 -2.42 -0.06 0.00 0.56 0.00 0.00 36.38 34.21 2k11 s VAL 124 CO 0.29 0.00 -0.05 -0.62 -0.31 0.00 0.00 175.10 174.41 2k11 n GLU 125 N -2.29 1.02 -4.34 4.82 4.71 -1.26 -3.46 120.64 119.83 2k11 n GLU 125 Ca 0.14 0.03 -0.25 0.00 -0.01 0.00 0.00 57.16 57.07 2k11 n GLU 125 Cb 0.61 -1.17 -0.09 0.00 -1.01 0.00 0.00 31.44 29.78 2k11 n GLU 125 CO 0.00 0.00 0.00 0.16 0.09 0.00 0.00 177.13 177.38 2k11 s ASP 126 N -4.54 4.17 0.00 1.62 1.47 -1.26 -4.67 116.67 113.46 2k11 s ASP 126 Ca -0.09 -1.11 0.21 0.00 1.18 0.00 0.00 52.55 52.74 2k11 s ASP 126 Cb 0.03 -0.48 1.27 0.00 -0.34 0.00 0.00 42.92 43.40 2k11 s ASP 126 CO 0.22 -0.38 1.65 -0.24 0.68 0.00 0.00 175.17 177.11