#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 0.04 1.17 -1.58 2.56 -1.26 -5.16 118.70 114.47 2k11 s GLU 2 Ca 0.00 0.39 -0.15 0.00 0.00 0.00 0.00 54.97 55.21 2k11 s GLU 2 Cb 0.00 -0.25 0.27 0.00 2.00 0.00 0.00 34.13 36.16 2k11 s GLU 2 CO 0.00 -0.22 1.04 -1.12 -0.56 0.00 0.00 175.26 174.40 2k11 s SER 3 N 1.54 1.06 -0.06 -1.70 0.01 -1.26 -4.93 113.70 108.36 2k11 s SER 3 Ca -0.05 1.18 -0.02 0.00 1.31 0.00 0.00 55.95 58.37 2k11 s SER 3 Cb -0.12 -1.82 -0.01 0.00 0.21 0.00 0.00 66.02 64.28 2k11 s SER 3 CO -0.05 -4.10 0.12 -0.09 0.41 0.00 0.00 173.24 169.53 2k11 h ARG 4 N -2.56 -0.08 -0.22 12.44 2.43 -2.00 -3.11 114.38 121.29 2k11 h ARG 4 Ca -0.56 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 58.68 2k11 h ARG 4 Cb 1.33 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.83 2k11 h ARG 4 CO 0.48 -0.05 -0.27 0.00 -1.51 0.00 0.00 179.97 178.61 2k11 h ALA 5 N -1.29 -0.21 -0.91 2.80 0.00 -1.91 0.34 119.26 118.08 2k11 h ALA 5 Ca -0.01 0.06 0.22 0.00 0.00 0.00 0.00 54.91 55.19 2k11 h ALA 5 Cb 0.06 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 2k11 h ALA 5 CO 0.01 -0.71 0.62 0.87 0.00 0.00 0.00 179.25 180.04 2k11 h LYS 6 N -0.29 0.29 0.00 0.00 1.79 -1.90 0.73 116.57 117.19 2k11 h LYS 6 Ca 0.13 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.55 2k11 h LYS 6 Cb 0.49 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.07 2k11 h LYS 6 CO -0.39 0.19 -0.15 -0.22 -1.08 0.00 0.00 179.45 177.81 2k11 h LYS 7 N 0.30 0.00 0.01 3.15 3.64 -0.87 -3.17 116.57 119.64 2k11 h LYS 7 Ca 0.47 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.85 2k11 h LYS 7 Cb 1.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 2k11 h LYS 7 CO -0.14 0.15 -0.01 0.35 -2.27 0.00 0.00 179.45 177.53 2k11 h PHE 8 N 0.00 -0.02 0.00 1.91 3.57 0.98 -3.24 116.94 120.14 2k11 h PHE 8 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2k11 h PHE 8 Cb 0.68 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.43 2k11 h PHE 8 CO 0.00 0.42 0.00 1.04 -2.23 0.00 0.00 178.31 177.54 2k11 n GLN 9 N -4.72 0.00 0.15 1.11 3.00 -0.85 0.02 117.38 116.09 2k11 n GLN 9 Ca -0.05 0.59 0.03 0.00 -0.01 0.00 0.00 57.00 57.57 2k11 n GLN 9 Cb 0.21 -1.27 0.17 0.00 0.00 0.00 0.00 30.24 29.36 2k11 n GLN 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2k11 n ARG 10 N -1.80 0.05 -0.00 -1.09 1.74 -1.12 0.49 116.66 114.93 2k11 n ARG 10 Ca 0.00 0.49 -0.01 0.00 -0.77 0.00 0.00 57.85 57.56 2k11 n ARG 10 Cb 0.00 -2.15 -0.00 0.00 -1.02 0.00 0.00 32.46 29.29 2k11 n ARG 10 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 2k11 h GLN 11 N 0.00 -0.06 0.00 5.56 -0.00 -0.43 -3.45 115.11 116.73 2k11 h GLN 11 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.62 2k11 h GLN 11 Cb 0.98 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.47 2k11 h GLN 11 CO 0.00 -0.04 -1.15 0.72 0.00 0.00 0.00 178.83 178.37 2k11 n HIS 12 N -3.63 0.00 -2.92 3.99 -0.00 -0.35 -4.99 115.22 107.32 2k11 n HIS 12 Ca -0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 2k11 n HIS 12 Cb 0.02 -0.10 -0.05 0.00 -0.00 0.00 0.00 29.99 29.87 2k11 n HIS 12 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 2k11 s MET 13 N -2.05 4.12 -0.28 -0.41 -2.45 0.18 -3.70 119.30 114.71 2k11 s MET 13 Ca -0.03 0.81 -0.01 0.00 -1.25 0.00 0.00 55.69 55.22 2k11 s MET 13 Cb 0.01 -3.67 0.13 0.00 1.25 0.00 0.00 34.83 32.55 2k11 s MET 13 CO 0.06 -0.56 0.31 -0.51 1.05 0.00 0.00 175.02 175.37 2k11 s ASP 14 N 1.43 1.40 0.04 1.11 1.01 -1.26 -2.79 116.67 117.61 2k11 s ASP 14 Ca 0.34 -0.58 0.00 0.00 0.71 0.00 0.00 52.55 53.02 2k11 s ASP 14 Cb -0.15 0.60 -0.26 0.00 1.01 0.00 0.00 42.92 44.13 2k11 s ASP 14 CO 0.09 -0.37 0.98 -1.28 0.21 0.00 0.00 175.17 174.80 2k11 h SER 15 N 8.25 0.27 -0.81 0.27 0.87 -1.75 -3.35 113.55 117.31 2k11 h SER 15 Ca -0.14 -0.35 0.29 0.00 -1.23 0.00 0.00 61.79 60.36 2k11 h SER 15 Cb 1.09 -0.09 -0.15 0.00 -0.44 0.00 0.00 62.40 62.82 2k11 h SER 15 CO 0.32 1.29 0.27 -0.67 -0.53 0.00 0.00 176.83 177.51 2k11 n ASP 16 N -3.40 0.13 -4.53 6.23 2.03 -1.26 -4.41 116.55 111.34 2k11 n ASP 16 Ca -0.11 1.36 -0.29 0.00 0.52 0.00 0.00 54.79 56.27 2k11 n ASP 16 Cb 1.02 -0.60 0.23 0.00 -0.72 0.00 0.00 41.12 41.06 2k11 n ASP 16 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2k11 s SER 17 N -4.77 1.38 0.25 1.67 0.01 -1.25 -5.04 113.70 105.95 2k11 s SER 17 Ca -0.09 1.67 0.09 0.00 1.31 0.00 0.00 55.95 58.93 2k11 s SER 17 Cb 0.26 -2.37 -0.04 0.00 0.21 0.00 0.00 66.02 64.09 2k11 s SER 17 CO 0.63 -3.97 0.06 -0.44 0.41 0.00 0.00 173.24 169.93 2k11 s SER 18 N -2.55 4.87 1.13 2.44 0.01 -1.26 -4.98 113.70 113.36 2k11 s SER 18 Ca 0.68 -0.50 -0.11 0.00 1.31 0.00 0.00 55.95 57.34 2k11 s SER 18 Cb -0.24 -1.04 0.16 0.00 0.21 0.00 0.00 66.02 65.11 2k11 s SER 18 CO 0.63 -0.00 0.56 -0.81 0.41 0.00 0.00 173.24 174.03 2k11 n PRO 19 N -0.90 -2.12 -3.50 12.44 -0.04 -1.26 -4.45 135.00 135.17 2k11 n PRO 19 Ca -0.07 -0.90 -0.19 0.00 -0.04 0.00 0.00 63.50 62.30 2k11 n PRO 19 Cb 0.58 -0.84 0.08 0.00 -0.04 0.00 0.00 33.50 33.28 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 -3.96 -2.80 -4.40 3.54 2.88 -1.26 -4.94 113.62 102.67 2k11 n SER 20 Ca 0.08 -0.63 -0.44 0.00 -1.33 0.00 0.00 58.87 56.55 2k11 n SER 20 Cb 0.30 -4.98 -0.05 0.00 -0.75 0.00 0.00 64.21 58.73 2k11 n SER 20 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2k11 s SER 21 N -4.15 6.20 -0.03 -3.46 0.01 -1.26 -4.79 113.70 106.22 2k11 s SER 21 Ca 0.12 -1.23 0.01 0.00 1.31 0.00 0.00 55.95 56.16 2k11 s SER 21 Cb -0.05 -2.30 -0.02 0.00 0.21 0.00 0.00 66.02 63.85 2k11 s SER 21 CO 0.74 -1.05 -0.02 -1.54 0.41 0.00 0.00 173.24 171.78 2k11 n SER 22 N 6.34 3.94 -2.92 2.44 3.41 -1.26 -3.37 113.62 122.20 2k11 n SER 22 Ca -0.08 -0.01 -0.05 0.00 -0.26 0.00 0.00 58.87 58.47 2k11 n SER 22 Cb 0.44 0.08 0.05 0.00 -0.26 0.00 0.00 64.21 64.51 2k11 n SER 22 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2k11 n SER 23 N -2.48 -1.99 0.00 4.04 3.41 -1.26 -4.47 113.62 110.87 2k11 n SER 23 Ca -0.04 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 2k11 n SER 23 Cb 0.55 -0.17 0.02 0.00 -0.26 0.00 0.00 64.21 64.36 2k11 n SER 23 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2k11 n THR 24 N -3.29 0.00 -0.22 6.66 -2.24 -1.26 -4.02 114.28 109.91 2k11 n THR 24 Ca 0.02 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.82 2k11 n THR 24 Cb 0.10 -0.48 0.06 0.00 -2.10 0.00 0.00 70.33 67.90 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 -0.57 0.13 0.34 4.78 9.36 -1.26 0.33 117.16 130.26 2k11 n TYR 25 Ca 0.01 0.74 -0.16 0.00 3.32 0.00 0.00 57.90 61.81 2k11 n TYR 25 Cb 0.00 -0.79 -0.08 0.00 -0.63 0.00 0.00 39.34 37.84 2k11 n TYR 25 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2k11 n ASN 27 N -5.39 -0.61 0.02 0.00 2.85 0.15 -0.69 115.26 111.59 2k11 n ASN 27 Ca -0.12 1.14 -0.10 0.00 -0.11 0.00 0.00 54.58 55.39 2k11 n ASN 27 Cb 0.37 -0.18 -0.07 0.00 1.24 0.00 0.00 39.78 41.14 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 -0.15 -0.42 1.20 4.20 -1.43 -3.12 115.11 115.38 2k11 h GLN 28 Ca 0.13 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.89 2k11 h GLN 28 Cb 0.30 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.06 2k11 h GLN 28 CO -0.62 0.30 -0.25 -1.33 -0.67 0.00 0.00 178.83 176.27 2k11 n MET 29 N -4.86 -0.18 -0.02 1.46 2.81 0.11 0.25 117.12 116.69 2k11 n MET 29 Ca -0.07 0.94 0.14 0.00 -1.81 0.00 0.00 57.70 56.89 2k11 n MET 29 Cb 0.26 -1.38 0.57 0.00 -0.71 0.00 0.00 33.22 31.95 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 0.25 0.00 0.03 2.86 -1.05 0.12 114.93 117.13 2k11 h MET 30 Ca 0.07 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 2k11 h MET 30 Cb 0.17 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 2k11 h MET 30 CO -0.39 0.16 -0.47 -0.09 1.06 0.00 0.00 176.91 177.18 2k11 h ARG 31 N 0.25 0.00 0.00 1.72 2.43 0.35 -3.02 114.38 116.12 2k11 h ARG 31 Ca 0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 2k11 h ARG 31 Cb 0.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2k11 h ARG 31 CO -0.05 0.47 -0.21 -0.09 -1.51 0.00 0.00 179.97 178.58 2k11 h ARG 32 N 0.00 0.00 -0.77 0.20 2.43 0.36 -3.23 114.38 113.37 2k11 h ARG 32 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2k11 h ARG 32 Cb 1.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2k11 h ARG 32 CO 0.06 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 179.06 2k11 n ARG 33 N -2.58 1.43 -3.79 0.20 5.12 -0.66 -4.85 116.66 111.54 2k11 n ARG 33 Ca 0.04 -0.38 -0.26 0.00 -1.93 0.00 0.00 57.85 55.32 2k11 n ARG 33 Cb 0.48 -1.49 0.04 0.00 -1.16 0.00 0.00 32.46 30.33 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 -3.43 -0.03 0.55 3.02 -1.22 -4.87 115.26 109.30 2k11 n ASN 34 Ca 0.03 -0.77 0.01 0.00 -0.03 0.00 0.00 54.58 53.83 2k11 n ASN 34 Cb 0.31 -4.10 -0.01 0.00 -0.61 0.00 0.00 39.78 35.37 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 -4.54 4.41 -0.17 3.52 1.56 -1.24 -4.59 117.12 116.08 2k11 n MET 35 Ca -0.11 -0.17 0.08 0.00 -0.27 0.00 0.00 57.70 57.23 2k11 n MET 35 Cb 0.59 -0.72 0.15 0.00 2.15 0.00 0.00 33.22 35.40 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 -0.73 1.82 0.14 1.12 -2.24 -1.26 -4.57 114.28 108.56 2k11 n THR 36 Ca 0.01 -1.91 0.01 0.00 -2.27 0.00 0.00 64.05 59.89 2k11 n THR 36 Cb 0.04 -0.09 0.16 0.00 -2.10 0.00 0.00 70.33 68.33 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 0.62 0.00 0.00 -0.78 4.20 -1.87 -3.37 115.11 113.91 2k11 h GLN 37 Ca 0.00 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 58.32 2k11 h GLN 37 Cb 1.03 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.76 2k11 h GLN 37 CO 0.06 0.57 -2.27 0.41 -0.67 0.00 0.00 178.83 176.93 2k11 n GLY 38 N 0.63 -0.42 3.37 3.46 0.00 -1.26 -5.08 105.19 105.89 2k11 n GLY 38 Ca 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 2k11 n GLY 38 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k11 s ARG 39 N -2.51 1.54 -0.37 1.61 1.70 -1.26 -5.13 118.95 114.54 2k11 s ARG 39 Ca -0.35 -1.64 -0.23 0.00 -0.47 0.00 0.00 55.73 53.04 2k11 s ARG 39 Cb 0.13 0.37 0.01 0.00 -0.57 0.00 0.00 34.95 34.88 2k11 s ARG 39 CO 0.44 -0.59 0.78 0.00 -1.08 0.00 0.00 175.30 174.85 2k11 n LYS 41 N 6.43 2.44 -0.09 0.00 3.00 -1.26 -4.91 118.16 123.77 2k11 n LYS 41 Ca 0.03 0.88 -0.13 0.00 -0.00 0.00 0.00 58.31 59.08 2k11 n LYS 41 Cb 0.48 -2.67 -0.05 0.00 0.00 0.00 0.00 35.03 32.80 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 5.97 0.65 -3.14 1.64 0.13 -1.96 -3.42 132.00 131.87 2k11 h PRO 42 Ca -0.44 -0.34 -0.03 0.00 -0.87 0.00 0.00 66.00 64.32 2k11 h PRO 42 Cb 1.23 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.25 2k11 h PRO 42 CO 0.89 0.94 0.11 0.08 -0.23 0.00 0.00 178.00 179.79 2k11 s VAL 43 N -4.36 0.03 0.17 1.56 1.01 -1.26 -2.39 120.40 115.15 2k11 s VAL 43 Ca -0.13 -0.21 -0.23 0.00 0.00 0.00 0.00 61.98 61.41 2k11 s VAL 43 Cb 0.08 -1.07 0.08 0.00 0.00 0.00 0.00 36.38 35.47 2k11 s VAL 43 CO 0.82 -0.12 1.04 0.20 0.00 0.00 0.00 175.10 177.04 2k11 s ASN 44 N -2.77 -0.01 -0.23 3.32 -0.87 0.39 -4.98 114.94 109.79 2k11 s ASN 44 Ca 0.02 -0.63 -0.17 0.00 -1.57 0.00 0.00 52.86 50.50 2k11 s ASN 44 Cb 0.00 0.49 0.06 0.00 -0.02 0.00 0.00 41.25 41.78 2k11 s ASN 44 CO -0.13 -0.96 0.59 -0.89 -2.57 0.00 0.00 177.10 173.15 2k11 s THR 45 N -2.27 -0.00 0.57 1.60 2.01 -1.26 -0.93 115.64 115.35 2k11 s THR 45 Ca 0.21 0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.30 2k11 s THR 45 Cb -0.02 -0.84 0.07 0.00 0.01 0.00 0.00 72.50 71.71 2k11 s THR 45 CO 0.05 0.01 0.62 -0.36 -0.69 0.00 0.00 174.62 174.25 2k11 s PHE 46 N 0.88 1.43 0.02 4.92 0.08 0.27 -4.55 117.98 121.03 2k11 s PHE 46 Ca -0.04 -0.80 0.03 0.00 0.12 0.00 0.00 56.93 56.24 2k11 s PHE 46 Cb -0.05 -2.06 -0.01 0.00 -0.57 0.00 0.00 43.02 40.32 2k11 s PHE 46 CO -0.07 -0.88 -0.09 0.08 -0.10 0.00 0.00 175.22 174.16 2k11 s VAL 47 N -2.73 0.69 -0.30 -0.44 1.01 -1.24 -1.92 120.40 115.46 2k11 s VAL 47 Ca 0.49 -0.70 0.15 0.00 0.00 0.00 0.00 61.98 61.93 2k11 s VAL 47 Cb -0.04 -0.64 0.46 0.00 0.00 0.00 0.00 36.38 36.16 2k11 s VAL 47 CO 0.31 -0.04 1.36 1.41 0.00 0.00 0.00 175.10 178.14 2k11 n HIS 48 N 2.24 0.76 -4.41 5.22 8.25 0.72 -3.55 115.22 124.45 2k11 n HIS 48 Ca -0.17 -0.81 -0.21 0.00 -0.26 0.00 0.00 57.72 56.27 2k11 n HIS 48 Cb 0.56 -0.25 -0.10 0.00 1.12 0.00 0.00 29.99 31.32 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 1.51 0.52 -0.41 0.41 -1.24 -4.82 118.70 112.18 2k11 s GLU 49 Ca 0.37 -1.74 -0.21 0.00 -0.41 0.00 0.00 54.97 52.99 2k11 s GLU 49 Cb 0.29 -1.20 -0.06 0.00 -1.78 0.00 0.00 34.13 31.37 2k11 s GLU 49 CO 0.09 0.10 1.14 -1.25 -0.49 0.00 0.00 175.26 174.85 2k11 s PRO 50 N -3.69 3.49 0.08 0.39 0.04 -1.26 -4.33 135.00 129.71 2k11 s PRO 50 Ca 0.28 1.66 -0.35 0.00 0.04 0.00 0.00 61.00 62.63 2k11 s PRO 50 Cb 0.02 -2.13 -0.17 0.00 0.04 0.00 0.00 34.50 32.25 2k11 s PRO 50 CO 0.11 -0.75 1.59 1.25 0.04 0.00 0.00 177.00 179.24 2k11 h LEU 51 N 1.47 -1.11 -0.74 -3.56 5.85 -2.00 -2.44 115.31 112.76 2k11 h LEU 51 Ca -0.50 0.07 0.30 0.00 0.84 0.00 0.00 57.88 58.59 2k11 h LEU 51 Cb 1.26 0.34 -0.12 0.00 0.37 0.00 0.00 40.66 42.51 2k11 h LEU 51 CO 0.58 -0.65 0.42 0.55 -0.34 0.00 0.00 178.44 179.00 2k11 n VAL 52 N -5.56 -0.27 0.01 1.05 3.14 -1.26 0.22 118.33 115.66 2k11 n VAL 52 Ca -0.13 1.37 -0.12 0.00 -2.96 0.00 0.00 64.34 62.51 2k11 n VAL 52 Cb 0.44 -2.23 -0.06 0.00 -1.06 0.00 0.00 33.84 30.93 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 0.07 -0.02 6.55 3.58 -1.82 -2.46 116.42 122.32 2k11 h ASP 53 Ca 0.59 -0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.94 2k11 h ASP 53 Cb 1.64 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.66 2k11 h ASP 53 CO -0.49 0.11 -0.08 0.58 -2.88 0.00 0.00 179.24 176.48 2k11 h VAL 54 N 0.03 1.16 -0.36 2.25 2.07 0.26 -2.77 116.25 118.88 2k11 h VAL 54 Ca 0.02 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 2k11 h VAL 54 Cb 0.05 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2k11 h VAL 54 CO -0.00 0.21 0.20 1.56 0.02 0.00 0.00 177.57 179.55 2k11 h GLN 55 N 0.24 0.51 -0.41 1.57 4.20 -0.88 -1.99 115.11 118.35 2k11 h GLN 55 Ca 0.05 -0.06 0.12 0.00 0.06 0.00 0.00 58.65 58.82 2k11 h GLN 55 Cb 0.31 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 2k11 h GLN 55 CO 0.02 0.42 0.43 -0.91 -0.67 0.00 0.00 178.83 178.12 2k11 h ASN 56 N 0.46 0.00 -0.49 1.46 2.35 -1.15 -0.35 115.58 117.86 2k11 h ASN 56 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2k11 h ASN 56 Cb 0.07 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 2k11 h ASN 56 CO -0.02 0.00 0.30 0.58 -1.65 0.00 0.00 177.43 176.64 2k11 h VAL 57 N 0.00 1.14 -0.00 2.81 2.07 -1.41 0.57 116.25 121.43 2k11 h VAL 57 Ca 0.19 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2k11 h VAL 57 Cb 1.06 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2k11 h VAL 57 CO -0.00 0.14 0.21 0.00 0.02 0.00 0.00 177.57 177.94 2k11 n PHE 59 N -2.96 0.00 -0.06 0.00 3.72 -0.52 -4.65 117.46 112.99 2k11 n PHE 59 Ca -0.02 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.36 2k11 n PHE 59 Cb 0.27 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.80 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 0.21 0.00 -4.87 -1.08 1.08 0.18 -3.50 115.11 107.13 2k11 h GLN 60 Ca 0.00 0.00 -0.44 0.00 -1.45 0.00 0.00 58.65 56.76 2k11 h GLN 60 Cb 0.34 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 27.64 2k11 h GLN 60 CO 0.00 0.00 -0.51 -2.00 -0.95 0.00 0.00 178.83 175.37 2k11 s GLU 61 N -1.82 1.69 0.06 1.46 2.56 -0.75 -5.02 118.70 116.87 2k11 s GLU 61 Ca -0.06 -1.97 -0.03 0.00 0.00 0.00 0.00 54.97 52.90 2k11 s GLU 61 Cb 0.01 0.30 -0.03 0.00 2.00 0.00 0.00 34.13 36.41 2k11 s GLU 61 CO 0.09 -0.61 0.03 -1.59 -0.56 0.00 0.00 175.26 172.62 2k11 s LYS 62 N -3.55 0.66 0.21 4.30 0.00 -1.26 -4.39 119.74 115.72 2k11 s LYS 62 Ca 0.40 -1.11 -0.02 0.00 0.00 0.00 0.00 55.97 55.24 2k11 s LYS 62 Cb 0.03 0.24 -0.04 0.00 0.00 0.00 0.00 37.83 38.07 2k11 s LYS 62 CO 0.25 -0.15 0.18 0.14 0.00 0.00 0.00 175.35 175.77 2k11 s VAL 63 N -3.78 0.00 0.38 1.79 -7.23 0.95 -4.71 120.40 107.80 2k11 s VAL 63 Ca 0.05 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 2k11 s VAL 63 Cb 0.06 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 2k11 s VAL 63 CO -0.10 0.00 0.59 -0.89 -0.31 0.00 0.00 175.10 174.39 2k11 s THR 64 N -4.10 4.88 0.28 5.32 2.01 -1.26 -3.86 115.64 118.92 2k11 s THR 64 Ca 0.37 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.99 2k11 s THR 64 Cb 0.06 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 2k11 s THR 64 CO 0.13 -0.54 0.18 0.00 -0.69 0.00 0.00 174.62 173.69 2k11 n LYS 66 N -0.50 -0.17 -0.26 0.00 4.81 -1.26 0.23 118.16 121.02 2k11 n LYS 66 Ca 0.03 0.93 0.21 0.00 -0.87 0.00 0.00 58.31 58.61 2k11 n LYS 66 Cb 0.65 -1.38 0.53 0.00 0.02 0.00 0.00 35.03 34.84 2k11 n LYS 66 CO 0.00 0.00 0.00 -2.95 1.17 0.00 0.00 177.40 175.62 2k11 h ASN 67 N 0.00 0.39 0.00 3.14 -1.07 -2.04 -3.45 115.58 112.55 2k11 h ASN 67 Ca 0.06 0.05 0.00 0.00 0.07 0.00 0.00 56.30 56.48 2k11 h ASN 67 Cb 0.16 -0.02 0.00 0.00 -2.07 0.00 0.00 38.32 36.38 2k11 h ASN 67 CO -0.36 0.14 0.00 0.61 0.07 0.00 0.00 177.43 177.89 2k11 n GLY 68 N -1.52 1.68 3.63 9.14 0.00 0.64 -5.12 105.19 113.64 2k11 n GLY 68 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.63 2.04 -0.25 1.61 -1.52 -1.26 -4.77 119.66 114.88 2k11 s GLN 69 Ca 0.00 -2.27 -0.02 0.00 -1.95 0.00 0.00 55.36 51.12 2k11 s GLN 69 Cb 0.00 -1.10 0.07 0.00 -0.22 0.00 0.00 33.01 31.76 2k11 s GLN 69 CO 0.00 -0.39 2.42 0.41 -0.25 0.00 0.00 175.29 177.48 2k11 n GLY 70 N -1.07 3.71 0.06 3.09 0.00 -1.26 -2.50 105.19 107.23 2k11 n GLY 70 Ca -0.12 -1.10 0.13 0.00 0.00 0.00 0.00 46.02 44.93 2k11 n GLY 70 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k11 n ASN 71 N 0.98 0.40 -4.41 1.61 5.15 -1.26 -4.79 115.26 112.95 2k11 n ASN 71 Ca 0.31 0.55 -0.23 0.00 -0.60 0.00 0.00 54.58 54.61 2k11 n ASN 71 Cb 0.60 -0.65 -0.10 0.00 -0.53 0.00 0.00 39.78 39.10 2k11 n ASN 71 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k11 s TYR 73 N -2.42 0.08 -0.06 0.00 1.51 -0.80 -0.03 117.35 115.63 2k11 s TYR 73 Ca 0.25 -0.43 0.06 0.00 -1.01 0.00 0.00 57.07 55.94 2k11 s TYR 73 Cb -0.05 -0.02 -0.01 0.00 -0.11 0.00 0.00 41.96 41.78 2k11 s TYR 73 CO 0.11 -0.53 -0.25 0.15 -1.11 0.00 0.00 175.55 173.92 2k11 s LYS 74 N -3.45 2.53 0.31 -0.62 1.02 -1.26 -2.28 119.74 116.00 2k11 s LYS 74 Ca 0.02 -0.91 -0.28 0.00 0.02 0.00 0.00 55.97 54.82 2k11 s LYS 74 Cb 0.03 -2.15 -0.13 0.00 -0.52 0.00 0.00 37.83 35.05 2k11 s LYS 74 CO -0.09 0.39 1.16 -1.13 -0.92 0.00 0.00 175.35 174.76 2k11 n SER 75 N 2.93 2.06 0.00 2.83 3.41 -0.70 -4.38 113.62 119.78 2k11 n SER 75 Ca -0.17 1.19 0.07 0.00 -0.26 0.00 0.00 58.87 59.69 2k11 n SER 75 Cb 0.52 -1.39 0.39 0.00 -0.26 0.00 0.00 64.21 63.48 2k11 n SER 75 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2k11 n ASN 76 N 1.04 0.00 -3.76 4.04 2.85 -1.26 -4.77 115.26 113.39 2k11 n ASN 76 Ca 0.07 -0.85 -0.04 0.00 -0.11 0.00 0.00 54.58 53.66 2k11 n ASN 76 Cb 0.34 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.34 2k11 n ASN 76 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2k11 s SER 77 N -1.78 -0.18 0.75 1.20 0.01 -1.26 -5.14 113.70 107.30 2k11 s SER 77 Ca 0.20 -0.42 -0.13 0.00 1.31 0.00 0.00 55.95 56.92 2k11 s SER 77 Cb 0.09 0.50 0.05 0.00 0.21 0.00 0.00 66.02 66.87 2k11 s SER 77 CO 0.15 -0.92 1.12 -0.94 0.41 0.00 0.00 173.24 173.07 2k11 s SER 78 N -2.95 4.39 -0.09 2.44 1.04 -1.26 -4.26 113.70 113.01 2k11 s SER 78 Ca 0.12 2.02 -0.10 0.00 0.48 0.00 0.00 55.95 58.47 2k11 s SER 78 Cb -0.02 -2.55 0.03 0.00 0.10 0.00 0.00 66.02 63.58 2k11 s SER 78 CO 0.03 -2.11 0.28 -0.32 0.98 0.00 0.00 173.24 172.09 2k11 s MET 79 N -4.45 0.37 0.24 4.02 1.75 -0.43 -4.75 119.30 116.05 2k11 s MET 79 Ca 0.66 0.31 -0.31 0.00 -1.25 0.00 0.00 55.69 55.10 2k11 s MET 79 Cb -0.21 0.18 -0.12 0.00 2.84 0.00 0.00 34.83 37.52 2k11 s MET 79 CO 0.50 -0.06 1.67 -1.01 -0.65 0.00 0.00 175.02 175.47 2k11 s HIS 80 N -0.05 2.86 0.21 4.11 3.76 -1.26 -1.35 115.29 123.57 2k11 s HIS 80 Ca -0.02 0.52 -0.15 0.00 -0.15 0.00 0.00 55.06 55.27 2k11 s HIS 80 Cb -0.03 -4.10 0.01 0.00 1.11 0.00 0.00 32.58 29.58 2k11 s HIS 80 CO 0.01 -3.99 0.47 0.96 -0.85 0.00 0.00 174.74 171.34 2k11 s ILE 81 N 0.75 0.03 -0.26 0.60 -0.00 -0.64 -0.20 121.20 121.47 2k11 s ILE 81 Ca 0.70 -1.09 -0.00 0.00 -0.00 0.00 0.00 60.65 60.26 2k11 s ILE 81 Cb -0.49 -1.83 0.08 0.00 -0.00 0.00 0.00 42.46 40.22 2k11 s ILE 81 CO 0.38 -0.12 0.03 -0.89 -0.00 0.00 0.00 174.94 174.34 2k11 s THR 82 N -3.93 1.17 0.21 8.37 2.01 -0.81 -2.64 115.64 120.02 2k11 s THR 82 Ca 0.14 -1.25 -0.31 0.00 0.31 0.00 0.00 61.69 60.58 2k11 s THR 82 Cb -0.00 -1.68 -0.10 0.00 0.01 0.00 0.00 72.50 70.73 2k11 s THR 82 CO 0.02 -0.37 1.49 -0.62 -0.69 0.00 0.00 174.62 174.44 2k11 s ASP 83 N 1.52 6.64 -0.29 3.53 -1.08 -0.69 -0.56 116.67 125.73 2k11 s ASP 83 Ca 0.02 2.63 -0.01 0.00 -0.52 0.00 0.00 52.55 54.67 2k11 s ASP 83 Cb -0.18 -2.61 0.09 0.00 -1.46 0.00 0.00 42.92 38.76 2k11 s ASP 83 CO -0.13 -0.75 0.08 0.00 0.52 0.00 0.00 175.17 174.89 2k11 s ARG 85 N 1.62 1.22 0.78 0.00 3.52 -1.19 0.15 118.95 125.05 2k11 s ARG 85 Ca 0.07 -0.50 -0.15 0.00 -0.13 0.00 0.00 55.73 55.02 2k11 s ARG 85 Cb -0.17 -1.15 -0.01 0.00 -1.56 0.00 0.00 34.95 32.05 2k11 s ARG 85 CO -0.21 0.28 0.54 1.28 -0.81 0.00 0.00 175.30 176.38 2k11 n LEU 86 N 2.84 0.82 -4.62 -0.88 4.77 -1.01 0.22 117.00 119.15 2k11 n LEU 86 Ca -0.15 0.53 -0.32 0.00 -0.03 0.00 0.00 56.01 56.04 2k11 n LEU 86 Cb 0.55 -1.23 -0.10 0.00 -2.33 0.00 0.00 43.42 40.31 2k11 n LEU 86 CO 0.24 -3.14 -0.37 0.42 -1.33 0.00 0.00 177.39 173.21 2k11 s THR 87 N -2.03 3.73 -0.62 -5.08 -4.23 -1.02 -4.60 115.64 101.79 2k11 s THR 87 Ca 0.64 -0.85 -0.29 0.00 -1.18 0.00 0.00 61.69 60.01 2k11 s THR 87 Cb -0.31 -2.67 -0.12 0.00 1.34 0.00 0.00 72.50 70.74 2k11 s THR 87 CO 0.60 0.31 2.46 -3.20 -0.54 0.00 0.00 174.62 174.26 2k11 n ASN 88 N 1.28 1.66 0.00 3.99 2.85 -1.26 -0.34 115.26 123.44 2k11 n ASN 88 Ca -0.14 -0.12 0.00 0.00 -0.11 0.00 0.00 54.58 54.21 2k11 n ASN 88 Cb 0.52 -1.32 0.00 0.00 1.24 0.00 0.00 39.78 40.23 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 6.26 1.45 3.20 8.20 0.00 -1.26 -5.10 105.19 117.93 2k11 n GLY 89 Ca 0.47 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.00 5.00 0.08 1.61 0.01 0.54 -5.03 113.70 113.91 2k11 s SER 90 Ca 0.00 -1.25 0.01 0.00 1.31 0.00 0.00 55.95 56.02 2k11 s SER 90 Cb 0.00 -1.75 -0.04 0.00 0.21 0.00 0.00 66.02 64.44 2k11 s SER 90 CO 0.00 -0.28 -0.06 -0.60 0.41 0.00 0.00 173.24 172.71 2k11 s ARG 91 N 1.29 0.74 0.26 12.44 3.00 0.58 -4.72 118.95 132.55 2k11 s ARG 91 Ca -0.04 -1.22 -0.30 0.00 -1.00 0.00 0.00 55.73 53.17 2k11 s ARG 91 Cb -0.20 -0.15 -0.14 0.00 0.00 0.00 0.00 34.95 34.46 2k11 s ARG 91 CO -0.00 -0.02 1.21 0.98 0.00 0.00 0.00 175.30 177.47 2k11 n TYR 92 N 0.24 1.72 0.25 5.12 4.19 -1.26 0.29 117.16 127.71 2k11 n TYR 92 Ca -0.14 0.59 0.14 0.00 3.31 0.00 0.00 57.90 61.80 2k11 n TYR 92 Cb 0.60 -2.35 0.61 0.00 0.49 0.00 0.00 39.34 38.69 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 3.05 0.00 -6.09 2.98 0.13 -2.00 -3.49 132.00 126.58 2k11 h PRO 93 Ca -0.43 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.08 2k11 h PRO 93 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2k11 h PRO 93 CO 0.67 0.11 1.35 0.09 -0.23 0.00 0.00 178.00 180.00 2k11 n ASN 94 N -3.29 3.04 -0.23 1.44 4.13 0.82 -4.81 115.26 116.36 2k11 n ASN 94 Ca -0.00 0.52 0.08 0.00 1.68 0.00 0.00 54.58 56.86 2k11 n ASN 94 Cb 0.34 -1.42 0.14 0.00 -1.54 0.00 0.00 39.78 37.31 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 0.34 -2.58 0.00 0.00 -1.26 -4.71 120.51 111.25 2k11 n ALA 96 Ca 0.14 -0.24 -0.23 0.00 0.00 0.00 0.00 53.44 53.11 2k11 n ALA 96 Cb 0.62 -2.31 0.13 0.00 0.00 0.00 0.00 19.45 17.88 2k11 n ALA 96 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2k11 n TYR 97 N 10.35 -2.99 -3.76 0.00 4.01 -1.26 -2.44 117.16 121.07 2k11 n TYR 97 Ca 0.61 -1.75 -0.37 0.00 -0.16 0.00 0.00 57.90 56.23 2k11 n TYR 97 Cb 0.06 -0.75 -0.12 0.00 -0.31 0.00 0.00 39.34 38.22 2k11 n TYR 97 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2k11 s ARG 98 N -5.19 2.24 -0.61 -0.72 3.52 0.60 -4.53 118.95 114.26 2k11 s ARG 98 Ca 0.68 -1.62 -0.27 0.00 -0.13 0.00 0.00 55.73 54.38 2k11 s ARG 98 Cb -0.04 -3.56 0.01 0.00 -1.56 0.00 0.00 34.95 29.81 2k11 s ARG 98 CO 0.45 -0.96 1.43 0.99 -0.81 0.00 0.00 175.30 176.40 2k11 s THR 99 N 1.23 3.72 -0.43 4.11 2.01 -1.26 -3.16 115.64 121.87 2k11 s THR 99 Ca 0.04 0.55 -0.05 0.00 0.31 0.00 0.00 61.69 62.55 2k11 s THR 99 Cb -0.22 -4.50 0.11 0.00 0.01 0.00 0.00 72.50 67.90 2k11 s THR 99 CO -0.02 -1.32 0.25 -0.55 -0.69 0.00 0.00 174.62 172.29 2k11 s SER 100 N 4.69 5.38 -0.22 3.53 0.15 -0.21 -4.51 113.70 122.51 2k11 s SER 100 Ca 0.50 -2.02 -0.29 0.00 0.70 0.00 0.00 55.95 54.84 2k11 s SER 100 Cb -0.10 -1.88 -0.03 0.00 -1.71 0.00 0.00 66.02 62.30 2k11 s SER 100 CO 0.22 -0.58 1.61 -2.16 1.20 0.00 0.00 173.24 173.53 2k11 s PRO 101 N 1.18 3.81 0.28 5.44 0.04 -1.22 -1.70 135.00 142.83 2k11 s PRO 101 Ca 0.08 1.66 -0.12 0.00 0.04 0.00 0.00 61.00 62.66 2k11 s PRO 101 Cb -0.24 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.28 2k11 s PRO 101 CO -0.03 -1.28 0.53 0.15 0.04 0.00 0.00 177.00 176.40 2k11 s LYS 102 N 4.65 1.70 -0.12 4.56 1.02 -1.08 -5.01 119.74 125.45 2k11 s LYS 102 Ca 0.71 -1.34 -0.04 0.00 0.02 0.00 0.00 55.97 55.32 2k11 s LYS 102 Cb -0.25 0.49 0.06 0.00 -0.52 0.00 0.00 37.83 37.61 2k11 s LYS 102 CO 0.29 -0.72 0.15 -1.83 -0.92 0.00 0.00 175.35 172.31 2k11 s GLU 103 N -3.67 0.06 0.32 1.68 -1.05 -1.26 -1.62 118.70 113.16 2k11 s GLU 103 Ca 0.22 0.32 -0.19 0.00 -0.15 0.00 0.00 54.97 55.17 2k11 s GLU 103 Cb -0.01 -0.85 0.03 0.00 -0.44 0.00 0.00 34.13 32.86 2k11 s GLU 103 CO 0.11 -0.47 0.75 1.03 0.95 0.00 0.00 175.26 177.63 2k11 s ARG 104 N 2.25 1.95 1.13 -4.83 0.52 -0.46 -4.68 118.95 114.83 2k11 s ARG 104 Ca 0.04 -1.15 -0.16 0.00 -0.52 0.00 0.00 55.73 53.93 2k11 s ARG 104 Cb -0.14 0.61 0.23 0.00 0.52 0.00 0.00 34.95 36.17 2k11 s ARG 104 CO -0.08 -0.90 0.47 0.72 0.02 0.00 0.00 175.30 175.54 2k11 n HIS 105 N -0.49 -2.66 -3.48 -0.53 8.25 -1.26 -1.31 115.22 113.75 2k11 n HIS 105 Ca -0.06 -0.21 -0.14 0.00 -0.26 0.00 0.00 57.72 57.05 2k11 n HIS 105 Cb 0.59 -1.39 -0.04 0.00 1.12 0.00 0.00 29.99 30.28 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 -0.11 1.59 -4.36 -1.26 -2.46 121.20 112.50 2k11 s ILE 106 Ca 0.45 -0.04 0.02 0.00 -0.26 0.00 0.00 60.65 60.82 2k11 s ILE 106 Cb -0.08 -1.00 0.01 0.00 1.25 0.00 0.00 42.46 42.64 2k11 s ILE 106 CO 0.41 -0.02 -0.17 -0.63 0.24 0.00 0.00 174.94 174.77 2k11 s ILE 107 N -2.69 1.60 0.15 8.37 1.09 -0.27 -1.72 121.20 127.73 2k11 s ILE 107 Ca -0.04 -0.71 0.01 0.00 -1.10 0.00 0.00 60.65 58.82 2k11 s ILE 107 Cb -0.01 -1.45 -0.04 0.00 -1.06 0.00 0.00 42.46 39.90 2k11 s ILE 107 CO -0.03 0.46 -0.01 0.68 -0.10 0.00 0.00 174.94 175.93 2k11 s VAL 108 N 0.92 0.61 -0.42 2.92 -7.23 -0.96 -1.67 120.40 114.57 2k11 s VAL 108 Ca -0.07 -1.96 -0.06 0.00 -1.81 0.00 0.00 61.98 58.07 2k11 s VAL 108 Cb -0.15 -1.98 0.10 0.00 0.56 0.00 0.00 36.38 34.90 2k11 s VAL 108 CO -0.01 -0.59 0.25 0.00 -0.31 0.00 0.00 175.10 174.44 2k11 s ALA 109 N -3.69 3.24 0.14 1.32 0.00 0.47 -1.90 121.76 121.34 2k11 s ALA 109 Ca 0.20 -2.38 -0.05 0.00 0.00 0.00 0.00 51.96 49.73 2k11 s ALA 109 Cb 0.06 -2.57 -0.06 0.00 0.00 0.00 0.00 23.12 20.55 2k11 s ALA 109 CO 0.01 -1.76 0.38 0.00 0.00 0.00 0.00 175.76 174.39 2k11 s GLU 111 N -2.61 1.35 2.74 0.00 2.12 -0.28 -4.85 118.70 117.18 2k11 s GLU 111 Ca 0.40 -0.86 0.00 0.00 0.36 0.00 0.00 54.97 54.88 2k11 s GLU 111 Cb -0.12 0.38 0.00 0.00 0.26 0.00 0.00 34.13 34.65 2k11 s GLU 111 CO 0.24 -0.63 0.00 0.41 -0.54 0.00 0.00 175.26 174.74 2k11 n GLY 112 N -0.67 0.13 3.55 -1.50 0.00 -1.26 -3.71 105.19 101.73 2k11 n GLY 112 Ca -0.04 -1.18 -0.04 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.89 1.21 1.61 0.15 -1.26 -4.26 113.70 106.26 2k11 s SER 113 Ca 0.00 1.41 -0.18 0.00 0.70 0.00 0.00 55.95 57.88 2k11 s SER 113 Cb 0.00 1.82 0.26 0.00 -1.71 0.00 0.00 66.02 66.39 2k11 s SER 113 CO 0.00 -0.22 0.93 -0.81 1.20 0.00 0.00 173.24 174.34 2k11 n PRO 114 N 5.11 -2.84 -2.27 5.44 -0.04 -1.26 -5.03 135.00 134.10 2k11 n PRO 114 Ca -0.14 -1.49 -0.40 0.00 -0.04 0.00 0.00 63.50 61.42 2k11 n PRO 114 Cb 0.52 -1.40 -0.03 0.00 -0.04 0.00 0.00 33.50 32.55 2k11 n PRO 114 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2k11 s TYR 115 N -2.69 2.01 0.08 0.54 5.04 -1.26 -4.80 117.35 116.27 2k11 s TYR 115 Ca 0.61 0.47 0.02 0.00 -2.44 0.00 0.00 57.07 55.73 2k11 s TYR 115 Cb -0.06 -4.32 -0.03 0.00 0.35 0.00 0.00 41.96 37.90 2k11 s TYR 115 CO 0.47 -2.18 -0.08 0.14 -1.34 0.00 0.00 175.55 172.56 2k11 s VAL 116 N 7.21 0.67 -0.07 3.14 -7.23 -1.24 -4.89 120.40 117.98 2k11 s VAL 116 Ca 0.55 -1.55 -0.30 0.00 -1.81 0.00 0.00 61.98 58.88 2k11 s VAL 116 Cb -0.11 -1.21 -0.05 0.00 0.56 0.00 0.00 36.38 35.58 2k11 s VAL 116 CO 0.21 -0.63 1.51 -2.16 -0.31 0.00 0.00 175.10 173.72 2k11 s PRO 117 N -2.78 4.21 0.00 4.82 0.04 -1.26 -1.12 135.00 138.91 2k11 s PRO 117 Ca 0.02 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.10 2k11 s PRO 117 Cb -0.02 -3.84 0.05 0.00 0.04 0.00 0.00 34.50 30.73 2k11 s PRO 117 CO -0.02 -0.76 0.91 1.33 0.04 0.00 0.00 177.00 178.50 2k11 n VAL 118 N 5.28 0.68 -3.65 -0.36 0.24 -0.54 -4.66 118.33 115.32 2k11 n VAL 118 Ca 0.16 -0.84 -0.11 0.00 -2.04 0.00 0.00 64.34 61.50 2k11 n VAL 118 Cb 0.43 0.68 -0.08 0.00 -1.47 0.00 0.00 33.84 33.40 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 -0.75 -0.82 -0.17 6.34 5.65 -1.09 -4.56 115.29 119.90 2k11 s HIS 119 Ca 0.05 1.82 -0.07 0.00 0.25 0.00 0.00 55.06 57.10 2k11 s HIS 119 Cb 0.03 0.38 -0.04 0.00 -1.18 0.00 0.00 32.58 31.76 2k11 s HIS 119 CO 0.03 -0.40 0.08 0.12 -0.65 0.00 0.00 174.74 173.92 2k11 s PHE 120 N 0.88 3.31 0.00 3.88 2.19 -1.26 -0.39 117.98 126.58 2k11 s PHE 120 Ca -0.04 0.18 0.00 0.00 0.33 0.00 0.00 56.93 57.40 2k11 s PHE 120 Cb -0.05 -2.05 0.00 0.00 -1.31 0.00 0.00 43.02 39.60 2k11 s PHE 120 CO -0.07 0.27 0.00 -0.25 1.83 0.00 0.00 175.22 177.00 2k11 n ASP 121 N 3.25 0.00 -3.65 6.13 8.00 -0.67 -4.96 116.55 124.65 2k11 n ASP 121 Ca -0.17 0.02 -0.01 0.00 0.71 0.00 0.00 54.79 55.34 2k11 n ASP 121 Cb 0.53 -0.21 -0.01 0.00 -0.02 0.00 0.00 41.12 41.41 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 -4.12 -2.01 0.13 2.24 0.00 -1.17 -5.03 121.76 111.80 2k11 s ALA 122 Ca 0.00 0.65 -0.15 0.00 0.00 0.00 0.00 51.96 52.46 2k11 s ALA 122 Cb 0.00 0.40 -0.07 0.00 0.00 0.00 0.00 23.12 23.45 2k11 s ALA 122 CO 0.00 -0.97 0.54 -1.54 0.00 0.00 0.00 175.76 173.78 2k11 s SER 123 N -2.84 6.84 0.87 0.00 1.04 -1.26 -1.11 113.70 117.23 2k11 s SER 123 Ca 0.12 1.08 -0.09 0.00 0.48 0.00 0.00 55.95 57.53 2k11 s SER 123 Cb 0.02 -2.29 0.18 0.00 0.10 0.00 0.00 66.02 64.03 2k11 s SER 123 CO -0.02 0.14 1.20 -0.69 0.98 0.00 0.00 173.24 174.84 2k11 s VAL 124 N -1.40 2.03 -0.02 5.02 1.01 -1.03 -4.93 120.40 121.08 2k11 s VAL 124 Ca 0.36 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.09 2k11 s VAL 124 Cb -0.15 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 2k11 s VAL 124 CO 0.19 0.00 0.02 1.21 0.00 0.00 0.00 175.10 176.51 2k11 n GLU 125 N -3.40 2.89 -3.82 2.72 2.13 -1.26 -4.47 120.64 115.43 2k11 n GLU 125 Ca 0.16 -0.01 -0.05 0.00 0.66 0.00 0.00 57.16 57.93 2k11 n GLU 125 Cb 0.60 -1.05 0.00 0.00 0.27 0.00 0.00 31.44 31.26 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 -3.05 -0.09 0.00 4.31 2.15 -1.26 -4.95 116.67 113.78 2k11 s ASP 126 Ca -0.01 -0.64 0.28 0.00 0.43 0.00 0.00 52.55 52.61 2k11 s ASP 126 Cb 0.01 0.58 1.03 0.00 -0.30 0.00 0.00 42.92 44.24 2k11 s ASP 126 CO 0.09 -1.11 1.73 -0.24 -0.17 0.00 0.00 175.17 175.48