#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 2.08 1.36 1.64 2.12 -1.26 -5.14 118.70 119.50 2k11 s GLU 2 Ca 0.00 -0.51 -0.21 0.00 0.36 0.00 0.00 54.97 54.61 2k11 s GLU 2 Cb 0.00 -1.82 0.34 0.00 0.26 0.00 0.00 34.13 32.91 2k11 s GLU 2 CO 0.00 -0.10 0.97 0.45 -0.54 0.00 0.00 175.26 176.04 2k11 s SER 3 N 1.09 -0.51 -0.15 -1.70 0.15 -1.26 -5.01 113.70 106.32 2k11 s SER 3 Ca -0.05 0.90 -0.12 0.00 0.70 0.00 0.00 55.95 57.38 2k11 s SER 3 Cb -0.14 -1.29 -0.09 0.00 -1.71 0.00 0.00 66.02 62.79 2k11 s SER 3 CO -0.03 -5.03 0.06 -0.09 1.20 0.00 0.00 173.24 169.35 2k11 h ARG 4 N -3.19 0.00 -0.62 5.44 9.65 -2.02 -3.38 114.38 120.26 2k11 h ARG 4 Ca -0.46 0.00 0.12 0.00 -1.10 0.00 0.00 59.98 58.54 2k11 h ARG 4 Cb 1.33 0.00 -0.12 0.00 -1.39 0.00 0.00 29.97 29.79 2k11 h ARG 4 CO 0.32 0.34 -0.16 0.00 2.80 0.00 0.00 179.97 183.28 2k11 h ALA 5 N -0.77 0.40 -1.16 2.80 0.00 -1.93 0.15 119.26 118.75 2k11 h ALA 5 Ca -0.08 0.24 0.42 0.00 0.00 0.00 0.00 54.91 55.49 2k11 h ALA 5 Cb 0.63 0.48 -0.15 0.00 0.00 0.00 0.00 17.79 18.75 2k11 h ALA 5 CO -0.05 -0.43 0.69 0.87 0.00 0.00 0.00 179.25 180.33 2k11 h LYS 6 N -0.01 0.08 -0.90 0.00 1.79 -1.90 1.10 116.57 116.73 2k11 h LYS 6 Ca 0.30 -0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.84 2k11 h LYS 6 Cb 0.46 -0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 31.02 2k11 h LYS 6 CO -0.64 0.05 0.56 -0.22 -1.08 0.00 0.00 179.45 178.12 2k11 h LYS 7 N 0.08 0.95 0.67 3.15 1.63 -0.88 -1.54 116.57 120.62 2k11 h LYS 7 Ca 0.83 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 60.54 2k11 h LYS 7 Cb 2.35 -0.21 0.01 0.00 -0.60 0.00 0.00 32.23 33.77 2k11 h LYS 7 CO -0.59 0.63 -0.32 0.35 -3.45 0.00 0.00 179.45 176.06 2k11 h PHE 8 N 0.98 -0.84 0.00 1.91 3.57 0.12 -2.88 116.94 119.80 2k11 h PHE 8 Ca 0.41 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.89 2k11 h PHE 8 Cb 0.27 0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2k11 h PHE 8 CO -0.03 -0.51 0.00 1.04 -2.23 0.00 0.00 178.31 176.58 2k11 n GLN 9 N -5.38 0.00 0.28 1.11 3.00 -1.07 0.02 117.38 115.35 2k11 n GLN 9 Ca -0.11 0.81 0.07 0.00 -0.01 0.00 0.00 57.00 57.76 2k11 n GLN 9 Cb 0.36 -1.49 0.28 0.00 0.00 0.00 0.00 30.24 29.38 2k11 n GLN 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2k11 h ARG 10 N 0.00 0.00 0.01 -1.09 3.08 -1.35 -0.78 114.38 114.25 2k11 h ARG 10 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2k11 h ARG 10 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2k11 h ARG 10 CO 0.00 0.00 -0.01 0.37 -1.07 0.00 0.00 179.97 179.26 2k11 h GLN 11 N 0.00 -0.01 0.00 0.04 -0.00 -0.17 -3.46 115.11 111.50 2k11 h GLN 11 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.70 2k11 h GLN 11 Cb 1.70 0.00 0.00 0.00 0.00 0.00 0.00 27.48 29.18 2k11 h GLN 11 CO -0.00 -0.01 0.00 0.72 0.00 0.00 0.00 178.83 179.54 2k11 n HIS 12 N -2.94 0.00 -1.68 3.99 -0.00 -0.37 -4.90 115.22 109.32 2k11 n HIS 12 Ca -0.00 0.00 -0.49 0.00 -0.00 0.00 0.00 57.72 57.23 2k11 n HIS 12 Cb 0.01 -0.04 -0.05 0.00 -0.00 0.00 0.00 29.99 29.91 2k11 n HIS 12 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2k11 n MET 13 N -2.21 2.03 -3.19 -0.41 0.00 -0.63 -3.56 117.12 109.15 2k11 n MET 13 Ca 0.00 0.74 0.01 0.00 0.00 0.00 0.00 57.70 58.45 2k11 n MET 13 Cb 0.00 -2.55 -0.02 0.00 0.00 0.00 0.00 33.22 30.65 2k11 n MET 13 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2k11 s ASP 14 N 3.44 -1.10 0.00 3.17 2.15 -1.05 -3.65 116.67 119.62 2k11 s ASP 14 Ca 0.91 0.18 0.24 0.00 0.43 0.00 0.00 52.55 54.32 2k11 s ASP 14 Cb -0.74 1.83 0.47 0.00 -0.30 0.00 0.00 42.92 44.18 2k11 s ASP 14 CO 0.51 -0.30 1.42 -0.24 -0.17 0.00 0.00 175.17 176.38 2k11 n SER 15 N 5.41 2.70 -0.29 -0.34 2.88 -0.79 -3.75 113.62 119.43 2k11 n SER 15 Ca 0.03 -1.88 -0.02 0.00 -1.33 0.00 0.00 58.87 55.67 2k11 n SER 15 Cb 0.52 -0.08 0.04 0.00 -0.75 0.00 0.00 64.21 63.95 2k11 n SER 15 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2k11 h ASP 16 N 3.94 -1.21 -2.96 -3.46 3.58 -1.93 -3.41 116.42 110.98 2k11 h ASP 16 Ca 0.00 0.27 -0.47 0.00 0.42 0.00 0.00 57.03 57.25 2k11 h ASP 16 Cb 0.85 0.64 0.03 0.00 1.72 0.00 0.00 39.33 42.57 2k11 h ASP 16 CO 0.00 -0.29 -0.04 -0.55 -2.88 0.00 0.00 179.24 175.47 2k11 s SER 17 N -5.26 5.88 0.66 2.28 0.15 -1.26 -5.10 113.70 111.04 2k11 s SER 17 Ca -0.14 0.42 -0.05 0.00 0.70 0.00 0.00 55.95 56.89 2k11 s SER 17 Cb 0.19 -1.67 0.05 0.00 -1.71 0.00 0.00 66.02 62.89 2k11 s SER 17 CO 0.71 -0.71 0.95 -0.44 1.20 0.00 0.00 173.24 174.96 2k11 s SER 18 N -4.20 4.94 0.89 5.45 0.01 -1.26 -4.82 113.70 114.71 2k11 s SER 18 Ca 0.48 0.33 0.00 0.00 1.31 0.00 0.00 55.95 58.08 2k11 s SER 18 Cb -0.10 -1.05 0.00 0.00 0.21 0.00 0.00 66.02 65.08 2k11 s SER 18 CO 0.39 -1.47 0.00 -0.81 0.41 0.00 0.00 173.24 171.76 2k11 n PRO 19 N -2.77 -0.79 -2.92 12.44 -0.04 -1.26 -4.63 135.00 135.03 2k11 n PRO 19 Ca 0.08 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.43 2k11 n PRO 19 Cb 0.60 0.00 0.05 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 -2.66 -2.57 -4.41 3.54 2.88 -1.26 -4.98 113.62 104.17 2k11 n SER 20 Ca 0.00 -0.36 -0.44 0.00 -1.33 0.00 0.00 58.87 56.74 2k11 n SER 20 Cb 0.00 -3.27 -0.05 0.00 -0.75 0.00 0.00 64.21 60.14 2k11 n SER 20 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2k11 s SER 21 N -3.69 6.20 -0.03 -3.46 0.01 -1.26 -4.79 113.70 106.69 2k11 s SER 21 Ca 0.07 -1.18 0.01 0.00 1.31 0.00 0.00 55.95 56.16 2k11 s SER 21 Cb -0.03 -2.31 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 2k11 s SER 21 CO 0.44 -1.08 -0.02 -1.54 0.41 0.00 0.00 173.24 171.45 2k11 n SER 22 N 6.46 3.93 -2.64 2.44 3.41 -1.26 -3.45 113.62 122.51 2k11 n SER 22 Ca -0.08 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2k11 n SER 22 Cb 0.44 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 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 -1.22 -0.08 4.04 3.41 -1.26 -4.63 113.62 111.40 2k11 n SER 23 Ca -0.05 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 2k11 n SER 23 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 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 -2.58 0.00 -0.03 6.66 -2.24 -1.26 -4.18 114.28 110.64 2k11 n THR 24 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 2k11 n THR 24 Cb 0.00 -0.37 -0.01 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 -0.36 -0.04 0.13 4.78 4.19 -1.26 -0.48 117.16 124.12 2k11 n TYR 25 Ca 0.00 0.10 -0.14 0.00 3.31 0.00 0.00 57.90 61.17 2k11 n TYR 25 Cb 0.01 -0.34 -0.07 0.00 0.49 0.00 0.00 39.34 39.43 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 -5.46 0.28 -0.04 0.00 2.85 0.36 -1.15 115.26 112.11 2k11 n ASN 27 Ca -0.07 1.35 -0.02 0.00 -0.11 0.00 0.00 54.58 55.72 2k11 n ASN 27 Cb 0.37 -0.66 -0.01 0.00 1.24 0.00 0.00 39.78 40.73 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 0.00 -0.48 1.20 4.20 -0.11 -3.35 115.11 116.58 2k11 h GLN 28 Ca 0.70 0.00 0.04 0.00 0.06 0.00 0.00 58.65 59.45 2k11 h GLN 28 Cb 1.85 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.57 2k11 h GLN 28 CO -0.62 0.00 -0.28 -1.33 -0.67 0.00 0.00 178.83 175.92 2k11 n MET 29 N -3.72 -0.21 -0.32 1.46 2.81 0.12 0.25 117.12 117.52 2k11 n MET 29 Ca -0.04 0.84 0.18 0.00 -1.81 0.00 0.00 57.70 56.87 2k11 n MET 29 Cb 0.14 -1.25 0.37 0.00 -0.71 0.00 0.00 33.22 31.78 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 0.32 -0.39 0.03 2.86 -1.36 0.54 114.93 116.92 2k11 h MET 30 Ca 0.08 -0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.58 2k11 h MET 30 Cb 0.19 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 2k11 h MET 30 CO -0.45 0.21 -0.23 -0.09 1.06 0.00 0.00 176.91 177.41 2k11 h ARG 31 N 0.33 0.79 0.00 1.72 2.43 0.32 -2.54 114.38 117.43 2k11 h ARG 31 Ca 0.63 -0.32 -0.07 0.00 -0.81 0.00 0.00 59.98 59.41 2k11 h ARG 31 Cb 1.32 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 2k11 h ARG 31 CO -0.60 0.94 -0.32 0.00 -1.51 0.00 0.00 179.97 178.48 2k11 h ARG 32 N 0.69 0.00 -0.56 0.20 -0.00 0.20 -2.08 114.38 112.83 2k11 h ARG 32 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.57 2k11 h ARG 32 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.72 2k11 h ARG 32 CO 0.06 0.32 0.00 0.54 0.00 0.00 0.00 179.97 180.89 2k11 n ARG 33 N -4.08 1.18 -3.59 0.04 5.12 -0.15 -4.85 116.66 110.34 2k11 n ARG 33 Ca -0.02 -0.18 -0.20 0.00 -1.93 0.00 0.00 57.85 55.51 2k11 n ARG 33 Cb 0.37 -1.32 0.06 0.00 -1.16 0.00 0.00 32.46 30.42 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 -0.14 -2.48 -0.00 0.55 4.13 -0.78 -4.90 115.26 111.64 2k11 n ASN 34 Ca 0.02 -0.69 0.05 0.00 1.68 0.00 0.00 54.58 55.64 2k11 n ASN 34 Cb 0.19 -4.64 -0.07 0.00 -1.54 0.00 0.00 39.78 33.72 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 -4.33 2.52 -0.02 3.52 2.81 -0.98 -4.42 117.12 116.21 2k11 n MET 35 Ca -0.23 -0.03 0.11 0.00 -1.81 0.00 0.00 57.70 55.74 2k11 n MET 35 Cb 0.65 -1.09 0.10 0.00 -0.71 0.00 0.00 33.22 32.17 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 -1.43 0.07 -2.23 2.03 -2.24 -1.26 -3.96 114.28 105.25 2k11 n THR 36 Ca 0.01 -0.53 -0.43 0.00 -2.27 0.00 0.00 64.05 60.83 2k11 n THR 36 Cb 0.21 1.38 -0.02 0.00 -2.10 0.00 0.00 70.33 69.80 2k11 n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2k11 s GLN 37 N -1.74 3.74 0.00 -0.78 -0.21 -1.26 -2.89 119.66 116.52 2k11 s GLN 37 Ca 0.27 1.39 0.00 0.00 0.02 0.00 0.00 55.36 57.03 2k11 s GLN 37 Cb 0.18 -4.00 0.00 0.00 1.00 0.00 0.00 33.01 30.19 2k11 s GLN 37 CO 0.27 -1.35 0.00 0.41 -2.12 0.00 0.00 175.29 172.50 2k11 n GLY 38 N 4.71 3.04 3.68 3.09 0.00 -1.26 -4.98 105.19 113.47 2k11 n GLY 38 Ca 0.18 -0.30 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 2k11 n GLY 38 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k11 s ARG 39 N 0.00 1.19 -0.36 1.61 1.70 -1.14 -5.13 118.95 116.82 2k11 s ARG 39 Ca 0.00 -0.60 -0.21 0.00 -0.47 0.00 0.00 55.73 54.44 2k11 s ARG 39 Cb 0.00 0.44 0.01 0.00 -0.57 0.00 0.00 34.95 34.83 2k11 s ARG 39 CO 0.00 -0.54 0.69 0.00 -1.08 0.00 0.00 175.30 174.37 2k11 n LYS 41 N 6.17 1.67 0.02 0.00 3.00 -1.25 -4.91 118.16 122.86 2k11 n LYS 41 Ca 0.00 0.60 -0.13 0.00 -0.00 0.00 0.00 58.31 58.79 2k11 n LYS 41 Cb 0.48 -2.30 -0.09 0.00 0.00 0.00 0.00 35.03 33.12 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 5.11 -0.08 -3.47 1.64 0.13 -1.95 -3.42 132.00 129.96 2k11 h PRO 42 Ca -0.46 0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.62 2k11 h PRO 42 Cb 1.29 0.02 -0.12 0.00 0.13 0.00 0.00 31.00 32.32 2k11 h PRO 42 CO 0.82 0.38 -0.11 0.08 -0.23 0.00 0.00 178.00 178.94 2k11 s VAL 43 N -4.21 0.07 0.01 1.56 1.01 -1.26 -1.90 120.40 115.67 2k11 s VAL 43 Ca -0.15 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 2k11 s VAL 43 Cb 0.02 -1.34 0.10 0.00 0.00 0.00 0.00 36.38 35.16 2k11 s VAL 43 CO 0.63 -0.31 0.97 0.20 0.00 0.00 0.00 175.10 176.59 2k11 s ASN 44 N -2.84 -0.28 -0.09 3.32 -0.87 0.35 -4.98 114.94 109.56 2k11 s ASN 44 Ca 0.06 -0.10 -0.03 0.00 -1.57 0.00 0.00 52.86 51.22 2k11 s ASN 44 Cb 0.02 0.36 0.05 0.00 -0.02 0.00 0.00 41.25 41.66 2k11 s ASN 44 CO -0.09 -0.62 0.16 -0.89 -2.57 0.00 0.00 177.10 173.10 2k11 s THR 45 N -3.03 -0.26 0.70 1.60 2.01 -1.26 -0.53 115.64 114.87 2k11 s THR 45 Ca 0.08 0.33 0.02 0.00 0.31 0.00 0.00 61.69 62.43 2k11 s THR 45 Cb -0.01 -0.31 0.13 0.00 0.01 0.00 0.00 72.50 72.32 2k11 s THR 45 CO -0.06 0.13 0.96 -0.36 -0.69 0.00 0.00 174.62 174.61 2k11 s PHE 46 N 2.29 1.34 -0.13 4.92 0.08 -0.85 -4.40 117.98 121.24 2k11 s PHE 46 Ca 0.03 -0.45 -0.04 0.00 0.12 0.00 0.00 56.93 56.59 2k11 s PHE 46 Cb -0.12 -2.79 0.07 0.00 -0.57 0.00 0.00 43.02 39.61 2k11 s PHE 46 CO -0.06 -1.66 0.22 0.08 -0.10 0.00 0.00 175.22 173.69 2k11 s VAL 47 N -3.05 -0.34 -1.15 -0.44 1.01 -1.23 -2.84 120.40 112.36 2k11 s VAL 47 Ca 0.66 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.86 2k11 s VAL 47 Cb -0.05 -0.45 0.07 0.00 0.00 0.00 0.00 36.38 35.95 2k11 s VAL 47 CO 0.44 0.04 0.70 1.41 0.00 0.00 0.00 175.10 177.69 2k11 n HIS 48 N 5.33 0.16 -4.28 5.22 8.25 0.11 -1.88 115.22 128.13 2k11 n HIS 48 Ca -0.05 -0.06 -0.27 0.00 -0.26 0.00 0.00 57.72 57.08 2k11 n HIS 48 Cb 0.50 -0.11 -0.09 0.00 1.12 0.00 0.00 29.99 31.41 2k11 n HIS 48 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2k11 s GLU 49 N -1.31 2.09 0.57 -0.41 -6.30 -1.19 -4.79 118.70 107.37 2k11 s GLU 49 Ca 0.05 -1.24 -0.18 0.00 -2.50 0.00 0.00 54.97 51.09 2k11 s GLU 49 Cb 0.03 -2.18 -0.04 0.00 0.00 0.00 0.00 34.13 31.93 2k11 s GLU 49 CO 0.02 0.44 1.12 -1.25 0.02 0.00 0.00 175.26 175.61 2k11 s PRO 50 N -2.79 3.22 0.03 4.30 0.04 -1.26 -4.17 135.00 134.38 2k11 s PRO 50 Ca 0.25 1.56 -0.26 0.00 0.04 0.00 0.00 61.00 62.58 2k11 s PRO 50 Cb -0.09 -1.99 -0.17 0.00 0.04 0.00 0.00 34.50 32.29 2k11 s PRO 50 CO 0.15 -0.94 1.42 1.25 0.04 0.00 0.00 177.00 178.92 2k11 h LEU 51 N 0.92 -0.32 -0.62 -3.56 5.85 -1.98 -3.08 115.31 112.51 2k11 h LEU 51 Ca -0.49 -0.13 0.18 0.00 0.84 0.00 0.00 57.88 58.28 2k11 h LEU 51 Cb 1.26 0.08 -0.12 0.00 0.37 0.00 0.00 40.66 42.26 2k11 h LEU 51 CO 0.56 -0.05 0.05 0.55 -0.34 0.00 0.00 178.44 179.22 2k11 n VAL 52 N -5.16 -0.26 -0.05 1.05 3.14 -1.26 0.24 118.33 116.03 2k11 n VAL 52 Ca -0.10 1.35 -0.11 0.00 -2.96 0.00 0.00 64.34 62.52 2k11 n VAL 52 Cb 0.23 -2.00 -0.05 0.00 -1.06 0.00 0.00 33.84 30.96 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 0.25 0.10 6.55 1.82 -1.94 -2.34 116.42 120.86 2k11 h ASP 53 Ca 0.40 -0.20 -0.04 0.00 -0.39 0.00 0.00 57.03 56.80 2k11 h ASP 53 Cb 0.86 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.79 2k11 h ASP 53 CO -0.57 0.38 -0.14 0.58 -1.61 0.00 0.00 179.24 177.88 2k11 h VAL 54 N 0.10 1.13 -0.42 2.25 2.07 0.31 -2.60 116.25 119.10 2k11 h VAL 54 Ca 0.06 -0.60 -0.09 0.00 0.82 0.00 0.00 66.70 66.88 2k11 h VAL 54 Cb 0.22 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2k11 h VAL 54 CO -0.00 0.18 -0.09 1.56 0.02 0.00 0.00 177.57 179.24 2k11 h GLN 55 N 0.08 0.79 0.00 1.57 4.20 -0.38 -2.57 115.11 118.81 2k11 h GLN 55 Ca 0.02 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.43 2k11 h GLN 55 Cb 0.30 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2k11 h GLN 55 CO 0.02 0.91 0.00 -0.91 -0.67 0.00 0.00 178.83 178.18 2k11 h ASN 56 N 0.61 0.00 -0.62 1.46 2.35 -1.03 -2.47 115.58 115.89 2k11 h ASN 56 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2k11 h ASN 56 Cb 0.62 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.96 2k11 h ASN 56 CO 0.04 0.00 0.40 0.58 -1.65 0.00 0.00 177.43 176.80 2k11 h VAL 57 N 0.00 1.16 0.00 2.81 2.07 -1.38 0.11 116.25 121.03 2k11 h VAL 57 Ca 0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2k11 h VAL 57 Cb 0.11 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2k11 h VAL 57 CO 0.00 0.16 0.05 0.00 0.02 0.00 0.00 177.57 177.80 2k11 n PHE 59 N -2.96 0.00 -0.04 0.00 3.72 -0.43 -4.63 117.46 113.12 2k11 n PHE 59 Ca -0.03 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2k11 n PHE 59 Cb 0.11 -0.16 -0.00 0.00 -0.94 0.00 0.00 39.48 38.49 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 0.00 0.00 -4.86 -1.08 1.08 0.15 -3.49 115.11 106.91 2k11 h GLN 60 Ca 0.00 0.00 -0.39 0.00 -1.45 0.00 0.00 58.65 56.81 2k11 h GLN 60 Cb 0.55 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 27.84 2k11 h GLN 60 CO 0.00 0.00 -0.57 -2.00 -0.95 0.00 0.00 178.83 175.31 2k11 s GLU 61 N -1.53 1.52 0.06 1.46 2.12 -0.77 -5.06 118.70 116.50 2k11 s GLU 61 Ca -0.01 -1.85 0.00 0.00 0.36 0.00 0.00 54.97 53.46 2k11 s GLU 61 Cb 0.00 -0.10 -0.04 0.00 0.26 0.00 0.00 34.13 34.26 2k11 s GLU 61 CO 0.02 -0.41 -0.05 0.15 -0.54 0.00 0.00 175.26 174.43 2k11 s LYS 62 N -3.89 0.61 0.07 4.30 1.02 -1.26 -4.48 119.74 116.10 2k11 s LYS 62 Ca 0.36 -1.09 -0.02 0.00 0.02 0.00 0.00 55.97 55.24 2k11 s LYS 62 Cb 0.06 0.02 -0.03 0.00 -0.52 0.00 0.00 37.83 37.35 2k11 s LYS 62 CO 0.16 -0.06 0.02 0.14 -0.92 0.00 0.00 175.35 174.70 2k11 s VAL 63 N -3.11 0.19 0.51 3.17 -7.23 -0.43 -4.73 120.40 108.77 2k11 s VAL 63 Ca 0.02 -1.71 -0.08 0.00 -1.81 0.00 0.00 61.98 58.41 2k11 s VAL 63 Cb 0.02 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.36 2k11 s VAL 63 CO -0.06 -0.86 0.86 -0.89 -0.31 0.00 0.00 175.10 173.84 2k11 s THR 64 N -3.93 4.82 0.24 5.32 2.01 -1.26 -3.77 115.64 119.08 2k11 s THR 64 Ca 0.09 0.49 0.01 0.00 0.31 0.00 0.00 61.69 62.59 2k11 s THR 64 Cb 0.07 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 2k11 s THR 64 CO -0.09 -0.87 0.09 0.00 -0.69 0.00 0.00 174.62 173.06 2k11 n LYS 66 N -0.42 -0.23 -0.35 0.00 5.02 -1.26 0.22 118.16 121.13 2k11 n LYS 66 Ca -0.01 0.98 0.14 0.00 -2.02 0.00 0.00 58.31 57.41 2k11 n LYS 66 Cb 0.66 -1.45 0.34 0.00 -0.02 0.00 0.00 35.03 34.56 2k11 n LYS 66 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 2k11 h ASN 67 N 0.00 0.76 0.00 4.39 7.08 -2.04 -3.45 115.58 122.32 2k11 h ASN 67 Ca 0.08 0.10 0.00 0.00 -3.08 0.00 0.00 56.30 53.41 2k11 h ASN 67 Cb 0.22 -0.03 0.00 0.00 -2.08 0.00 0.00 38.32 36.43 2k11 h ASN 67 CO -0.50 0.24 0.00 0.61 -2.08 0.00 0.00 177.43 175.70 2k11 n GLY 68 N -1.33 1.99 3.56 9.14 0.00 0.58 -5.13 105.19 114.00 2k11 n GLY 68 Ca 0.24 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.47 1.98 -0.09 1.61 -0.21 -1.25 -4.77 119.66 116.45 2k11 s GLN 69 Ca 0.00 -2.22 -0.02 0.00 0.02 0.00 0.00 55.36 53.14 2k11 s GLN 69 Cb 0.00 -0.79 -0.01 0.00 1.00 0.00 0.00 33.01 33.20 2k11 s GLN 69 CO 0.00 -0.45 2.40 0.41 -2.12 0.00 0.00 175.29 175.53 2k11 n GLY 70 N -0.98 3.04 0.05 3.09 0.00 -1.26 -1.91 105.19 107.23 2k11 n GLY 70 Ca -0.08 -0.60 0.10 0.00 0.00 0.00 0.00 46.02 45.44 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 1.45 0.29 -4.43 1.61 5.15 -1.26 -4.77 115.26 113.31 2k11 n ASN 71 Ca 0.18 0.56 -0.21 0.00 -0.60 0.00 0.00 54.58 54.52 2k11 n ASN 71 Cb 0.61 -0.63 -0.10 0.00 -0.53 0.00 0.00 39.78 39.12 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 -3.16 -0.59 -0.08 0.00 1.51 -0.44 -1.32 117.35 113.28 2k11 s TYR 73 Ca 0.32 1.06 0.00 0.00 -1.01 0.00 0.00 57.07 57.43 2k11 s TYR 73 Cb 0.06 0.34 -0.03 0.00 -0.11 0.00 0.00 41.96 42.22 2k11 s TYR 73 CO 0.13 -0.54 -0.07 0.15 -1.11 0.00 0.00 175.55 174.10 2k11 s LYS 74 N -1.03 2.91 0.06 -0.62 1.02 -1.26 -2.04 119.74 118.76 2k11 s LYS 74 Ca -0.10 -0.56 -0.31 0.00 0.02 0.00 0.00 55.97 55.02 2k11 s LYS 74 Cb -0.01 -2.63 -0.06 0.00 -0.52 0.00 0.00 37.83 34.60 2k11 s LYS 74 CO 0.08 0.58 1.34 -1.54 -0.92 0.00 0.00 175.35 174.88 2k11 s SER 75 N -0.57 6.91 0.00 2.83 1.04 -0.35 -4.44 113.70 119.12 2k11 s SER 75 Ca 0.09 2.15 0.14 0.00 0.48 0.00 0.00 55.95 58.82 2k11 s SER 75 Cb -0.12 -2.57 0.86 0.00 0.10 0.00 0.00 66.02 64.29 2k11 s SER 75 CO 0.02 -0.63 1.51 0.59 0.98 0.00 0.00 173.24 175.71 2k11 n ASN 76 N 4.47 0.00 -3.73 7.02 3.02 -1.26 -4.56 115.26 120.22 2k11 n ASN 76 Ca 0.11 -1.43 -0.16 0.00 -0.03 0.00 0.00 54.58 53.07 2k11 n ASN 76 Cb 0.44 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.45 2k11 n ASN 76 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2k11 s SER 77 N -1.51 0.35 0.64 6.41 1.04 -1.26 -5.01 113.70 114.35 2k11 s SER 77 Ca 0.22 0.18 -0.17 0.00 0.48 0.00 0.00 55.95 56.65 2k11 s SER 77 Cb 0.10 0.06 -0.05 0.00 0.10 0.00 0.00 66.02 66.22 2k11 s SER 77 CO 0.17 -0.18 0.68 -1.20 0.98 0.00 0.00 173.24 173.69 2k11 n SER 78 N 4.62 -0.46 -3.88 7.02 7.64 -1.26 -4.49 113.62 122.80 2k11 n SER 78 Ca -0.19 0.70 -0.11 0.00 1.01 0.00 0.00 58.87 60.28 2k11 n SER 78 Cb 0.50 -1.27 -0.13 0.00 -1.01 0.00 0.00 64.21 62.31 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 -2.58 0.12 0.25 1.43 -1.94 -0.82 -4.75 119.30 111.00 2k11 s MET 79 Ca 0.70 -0.10 -0.30 0.00 -1.71 0.00 0.00 55.69 54.29 2k11 s MET 79 Cb -0.40 0.05 -0.10 0.00 2.01 0.00 0.00 34.83 36.39 2k11 s MET 79 CO 0.53 -0.02 1.42 -1.01 -0.01 0.00 0.00 175.02 175.93 2k11 s HIS 80 N -0.34 3.04 0.12 -0.03 3.76 -1.26 -0.61 115.29 119.98 2k11 s HIS 80 Ca -0.04 1.07 -0.15 0.00 -0.15 0.00 0.00 55.06 55.80 2k11 s HIS 80 Cb -0.03 -3.79 0.03 0.00 1.11 0.00 0.00 32.58 29.90 2k11 s HIS 80 CO -0.00 -2.53 0.37 0.96 -0.85 0.00 0.00 174.74 172.68 2k11 s ILE 81 N -0.07 0.08 -0.21 0.60 -0.00 0.10 0.04 121.20 121.74 2k11 s ILE 81 Ca 0.58 -0.72 -0.00 0.00 -0.00 0.00 0.00 60.65 60.51 2k11 s ILE 81 Cb -0.41 -1.25 0.05 0.00 -0.00 0.00 0.00 42.46 40.86 2k11 s ILE 81 CO 0.43 -0.36 -0.04 -0.89 -0.00 0.00 0.00 174.94 174.08 2k11 s THR 82 N -3.82 1.26 0.19 8.37 2.01 -1.13 -2.10 115.64 120.42 2k11 s THR 82 Ca 0.04 -0.96 -0.30 0.00 0.31 0.00 0.00 61.69 60.78 2k11 s THR 82 Cb 0.02 -1.54 -0.09 0.00 0.01 0.00 0.00 72.50 70.90 2k11 s THR 82 CO -0.11 -0.06 1.39 -0.62 -0.69 0.00 0.00 174.62 174.53 2k11 s ASP 83 N 1.53 6.78 -0.29 3.53 2.15 -0.37 -2.00 116.67 128.00 2k11 s ASP 83 Ca -0.03 2.48 -0.01 0.00 0.43 0.00 0.00 52.55 55.43 2k11 s ASP 83 Cb -0.18 -2.61 0.09 0.00 -0.30 0.00 0.00 42.92 39.93 2k11 s ASP 83 CO -0.07 -0.63 0.08 0.00 -0.17 0.00 0.00 175.17 174.38 2k11 s ARG 85 N 1.58 1.06 0.53 0.00 3.52 -1.17 0.13 118.95 124.59 2k11 s ARG 85 Ca 0.07 -0.38 -0.20 0.00 -0.13 0.00 0.00 55.73 55.10 2k11 s ARG 85 Cb -0.17 -0.98 -0.08 0.00 -1.56 0.00 0.00 34.95 32.15 2k11 s ARG 85 CO -0.21 0.17 0.81 1.28 -0.81 0.00 0.00 175.30 176.54 2k11 n LEU 86 N 3.12 2.25 -4.80 -0.88 4.77 -0.80 0.23 117.00 120.89 2k11 n LEU 86 Ca -0.17 0.85 -0.33 0.00 -0.03 0.00 0.00 56.01 56.33 2k11 n LEU 86 Cb 0.55 -1.29 -0.07 0.00 -2.33 0.00 0.00 43.42 40.28 2k11 n LEU 86 CO 0.25 -2.21 -0.24 0.42 -1.33 0.00 0.00 177.39 174.28 2k11 s THR 87 N -1.51 4.85 -0.62 -5.08 -4.23 -0.94 -4.66 115.64 103.45 2k11 s THR 87 Ca 0.69 -0.32 -0.29 0.00 -1.18 0.00 0.00 61.69 60.60 2k11 s THR 87 Cb -0.47 -3.20 -0.13 0.00 1.34 0.00 0.00 72.50 70.04 2k11 s THR 87 CO 0.53 0.39 2.47 -3.20 -0.54 0.00 0.00 174.62 174.26 2k11 n ASN 88 N 1.29 1.65 0.00 3.99 2.85 -1.26 0.04 115.26 123.82 2k11 n ASN 88 Ca -0.14 -0.11 0.00 0.00 -0.11 0.00 0.00 54.58 54.22 2k11 n ASN 88 Cb 0.53 -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 1.08 3.40 8.20 0.00 -1.26 -5.09 105.19 117.78 2k11 n GLY 89 Ca 0.47 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.47 5.88 0.09 1.61 0.01 0.11 -5.04 113.70 115.88 2k11 s SER 90 Ca 0.00 -0.98 0.01 0.00 1.31 0.00 0.00 55.95 56.29 2k11 s SER 90 Cb 0.00 -2.08 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 2k11 s SER 90 CO 0.00 -0.42 -0.06 -0.60 0.41 0.00 0.00 173.24 172.57 2k11 s ARG 91 N 1.60 0.81 0.25 12.44 3.00 0.07 -4.68 118.95 132.43 2k11 s ARG 91 Ca 0.03 -1.31 -0.30 0.00 -1.00 0.00 0.00 55.73 53.15 2k11 s ARG 91 Cb -0.19 -0.17 -0.14 0.00 0.00 0.00 0.00 34.95 34.45 2k11 s ARG 91 CO 0.08 -0.02 1.23 0.98 0.00 0.00 0.00 175.30 177.56 2k11 n TYR 92 N 0.01 1.73 0.25 5.12 4.19 -1.26 0.30 117.16 127.49 2k11 n TYR 92 Ca -0.13 0.58 0.13 0.00 3.31 0.00 0.00 57.90 61.79 2k11 n TYR 92 Cb 0.61 -2.35 0.59 0.00 0.49 0.00 0.00 39.34 38.67 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 3.20 0.00 -6.15 2.98 0.13 -2.00 -3.50 132.00 126.67 2k11 h PRO 93 Ca -0.43 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.06 2k11 h PRO 93 Cb 1.31 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.45 2k11 h PRO 93 CO 0.69 0.14 1.22 0.09 -0.23 0.00 0.00 178.00 179.91 2k11 n ASN 94 N -3.34 3.02 -0.23 1.44 4.13 0.88 -4.82 115.26 116.34 2k11 n ASN 94 Ca -0.00 0.73 0.08 0.00 1.68 0.00 0.00 54.58 57.07 2k11 n ASN 94 Cb 0.35 -1.35 0.14 0.00 -1.54 0.00 0.00 39.78 37.38 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 -1.05 0.38 -2.68 0.00 0.00 -1.26 -4.68 120.51 111.22 2k11 n ALA 96 Ca 0.14 -0.28 -0.24 0.00 0.00 0.00 0.00 53.44 53.06 2k11 n ALA 96 Cb 0.61 -2.37 0.11 0.00 0.00 0.00 0.00 19.45 17.80 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 10.70 -2.83 -3.73 0.00 4.01 -1.26 -2.21 117.16 121.83 2k11 n TYR 97 Ca 0.60 -1.84 -0.37 0.00 -0.16 0.00 0.00 57.90 56.12 2k11 n TYR 97 Cb 0.09 -0.71 -0.11 0.00 -0.31 0.00 0.00 39.34 38.30 2k11 n TYR 97 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2k11 s ARG 98 N -5.08 2.22 -0.46 -0.72 0.52 0.64 -4.61 118.95 111.46 2k11 s ARG 98 Ca 0.66 -1.68 -0.29 0.00 -0.52 0.00 0.00 55.73 53.90 2k11 s ARG 98 Cb -0.04 -3.62 0.02 0.00 0.52 0.00 0.00 34.95 31.83 2k11 s ARG 98 CO 0.44 -1.02 1.27 0.99 0.02 0.00 0.00 175.30 177.00 2k11 s THR 99 N 1.23 4.04 -0.39 0.02 2.01 -1.24 -3.07 115.64 118.25 2k11 s THR 99 Ca 0.05 1.05 -0.01 0.00 0.31 0.00 0.00 61.69 63.09 2k11 s THR 99 Cb -0.23 -4.44 0.11 0.00 0.01 0.00 0.00 72.50 67.95 2k11 s THR 99 CO -0.02 -0.94 0.17 -0.55 -0.69 0.00 0.00 174.62 172.59 2k11 s SER 100 N 3.21 5.15 -0.02 3.53 0.15 0.11 -4.60 113.70 121.23 2k11 s SER 100 Ca 0.54 -2.05 -0.30 0.00 0.70 0.00 0.00 55.95 54.84 2k11 s SER 100 Cb -0.10 -1.78 -0.05 0.00 -1.71 0.00 0.00 66.02 62.37 2k11 s SER 100 CO 0.32 -0.50 1.46 -2.16 1.20 0.00 0.00 173.24 173.56 2k11 s PRO 101 N 1.09 4.25 -0.04 5.44 0.04 -1.22 -1.24 135.00 143.31 2k11 s PRO 101 Ca 0.09 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 62.86 2k11 s PRO 101 Cb -0.22 -3.67 0.10 0.00 0.04 0.00 0.00 34.50 30.75 2k11 s PRO 101 CO -0.05 -0.66 0.83 0.15 0.04 0.00 0.00 177.00 177.32 2k11 s LYS 102 N 2.85 0.87 -0.13 4.56 1.02 -0.89 -5.00 119.74 123.01 2k11 s LYS 102 Ca 0.66 -0.04 -0.00 0.00 0.02 0.00 0.00 55.97 56.60 2k11 s LYS 102 Cb -0.32 0.40 0.03 0.00 -0.52 0.00 0.00 37.83 37.42 2k11 s LYS 102 CO 0.27 -0.32 -0.09 -1.83 -0.92 0.00 0.00 175.35 172.45 2k11 s GLU 103 N -2.09 1.76 0.12 1.68 -1.05 -1.26 -0.72 118.70 117.14 2k11 s GLU 103 Ca -0.02 -0.37 -0.25 0.00 -0.15 0.00 0.00 54.97 54.19 2k11 s GLU 103 Cb -0.01 -1.77 0.07 0.00 -0.44 0.00 0.00 34.13 31.98 2k11 s GLU 103 CO -0.02 -0.27 0.83 0.50 0.95 0.00 0.00 175.26 177.26 2k11 s ARG 104 N 1.64 1.18 1.11 -4.83 3.52 0.23 -4.71 118.95 117.07 2k11 s ARG 104 Ca 0.05 -0.56 -0.16 0.00 -0.13 0.00 0.00 55.73 54.93 2k11 s ARG 104 Cb -0.13 0.46 0.21 0.00 -1.56 0.00 0.00 34.95 33.94 2k11 s ARG 104 CO -0.09 -0.53 0.44 0.72 -0.81 0.00 0.00 175.30 175.04 2k11 n HIS 105 N -0.38 -2.60 -3.67 5.12 8.25 -1.26 -1.95 115.22 118.73 2k11 n HIS 105 Ca -0.09 -0.17 -0.10 0.00 -0.26 0.00 0.00 57.72 57.10 2k11 n HIS 105 Cb 0.62 -1.39 -0.04 0.00 1.12 0.00 0.00 29.99 30.30 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 -2.09 0.04 -0.14 1.59 -4.36 -1.26 -2.40 121.20 112.58 2k11 s ILE 106 Ca 0.43 -0.65 -0.00 0.00 -0.26 0.00 0.00 60.65 60.17 2k11 s ILE 106 Cb -0.08 -1.36 0.03 0.00 1.25 0.00 0.00 42.46 42.30 2k11 s ILE 106 CO 0.39 -0.20 -0.10 -0.63 0.24 0.00 0.00 174.94 174.64 2k11 s ILE 107 N -3.84 1.31 0.22 8.37 1.01 0.14 -1.21 121.20 127.20 2k11 s ILE 107 Ca 0.06 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.24 2k11 s ILE 107 Cb 0.00 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 41.12 2k11 s ILE 107 CO -0.08 0.36 -0.05 0.68 0.00 0.00 0.00 174.94 175.86 2k11 s VAL 108 N 1.59 1.26 -0.41 2.92 -7.23 -0.87 -0.72 120.40 116.94 2k11 s VAL 108 Ca 0.04 -2.08 -0.05 0.00 -1.81 0.00 0.00 61.98 58.08 2k11 s VAL 108 Cb -0.13 -2.24 0.10 0.00 0.56 0.00 0.00 36.38 34.67 2k11 s VAL 108 CO -0.09 -0.43 0.22 0.00 -0.31 0.00 0.00 175.10 174.49 2k11 s ALA 109 N -3.27 3.19 0.27 1.32 0.00 0.66 -1.33 121.76 122.62 2k11 s ALA 109 Ca 0.26 -2.38 -0.07 0.00 0.00 0.00 0.00 51.96 49.77 2k11 s ALA 109 Cb 0.04 -2.49 -0.06 0.00 0.00 0.00 0.00 23.12 20.61 2k11 s ALA 109 CO 0.08 -1.74 0.56 0.00 0.00 0.00 0.00 175.76 174.66 2k11 s GLU 111 N -3.32 1.32 2.84 0.00 -6.30 -0.46 -4.85 118.70 107.93 2k11 s GLU 111 Ca 0.45 -0.84 0.00 0.00 -2.50 0.00 0.00 54.97 52.08 2k11 s GLU 111 Cb -0.11 0.38 0.00 0.00 0.00 0.00 0.00 34.13 34.40 2k11 s GLU 111 CO 0.27 -0.62 0.00 0.41 0.02 0.00 0.00 175.26 175.34 2k11 n GLY 112 N -0.67 -0.57 3.21 -1.50 0.00 -1.26 -3.59 105.19 100.80 2k11 n GLY 112 Ca -0.03 -1.14 -0.10 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 -0.22 1.21 1.61 0.15 -1.26 -4.07 113.70 107.13 2k11 s SER 113 Ca 0.00 0.86 -0.18 0.00 0.70 0.00 0.00 55.95 57.33 2k11 s SER 113 Cb 0.00 0.99 0.26 0.00 -1.71 0.00 0.00 66.02 65.56 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 4.97 -2.84 -2.37 5.44 -0.04 -1.26 -5.03 135.00 133.86 2k11 n PRO 114 Ca -0.14 -1.49 -0.41 0.00 -0.04 0.00 0.00 63.50 61.43 2k11 n PRO 114 Cb 0.51 -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 2.13 0.09 0.54 5.04 -1.26 -4.79 117.35 116.42 2k11 s TYR 115 Ca 0.60 0.35 0.03 0.00 -2.44 0.00 0.00 57.07 55.62 2k11 s TYR 115 Cb -0.06 -4.41 -0.04 0.00 0.35 0.00 0.00 41.96 37.81 2k11 s TYR 115 CO 0.46 -2.10 -0.09 0.14 -1.34 0.00 0.00 175.55 172.62 2k11 s VAL 116 N 6.65 0.88 -0.20 3.14 -7.23 -1.24 -4.89 120.40 117.52 2k11 s VAL 116 Ca 0.49 -1.65 -0.29 0.00 -1.81 0.00 0.00 61.98 58.72 2k11 s VAL 116 Cb -0.10 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.45 2k11 s VAL 116 CO 0.20 -0.60 1.60 -2.16 -0.31 0.00 0.00 175.10 173.83 2k11 s PRO 117 N -2.88 3.87 0.00 4.82 0.04 -1.26 -1.36 135.00 138.23 2k11 s PRO 117 Ca 0.06 1.72 0.08 0.00 0.04 0.00 0.00 61.00 62.89 2k11 s PRO 117 Cb -0.02 -4.01 0.13 0.00 0.04 0.00 0.00 34.50 30.64 2k11 s PRO 117 CO -0.01 -1.20 0.94 1.33 0.04 0.00 0.00 177.00 178.10 2k11 n VAL 118 N 6.23 0.45 -3.65 -0.36 0.24 -0.89 -4.52 118.33 115.83 2k11 n VAL 118 Ca 0.18 -0.73 -0.12 0.00 -2.04 0.00 0.00 64.34 61.64 2k11 n VAL 118 Cb 0.45 0.86 -0.08 0.00 -1.47 0.00 0.00 33.84 33.60 2k11 n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2k11 s HIS 119 N -0.81 -0.79 -0.16 6.34 5.65 -1.12 -4.56 115.29 119.84 2k11 s HIS 119 Ca 0.12 1.80 -0.11 0.00 0.25 0.00 0.00 55.06 57.13 2k11 s HIS 119 Cb 0.07 0.34 -0.05 0.00 -1.18 0.00 0.00 32.58 31.77 2k11 s HIS 119 CO 0.10 -0.39 0.19 0.12 -0.65 0.00 0.00 174.74 174.12 2k11 s PHE 120 N 0.75 3.49 0.00 3.88 2.19 -1.26 -0.24 117.98 126.79 2k11 s PHE 120 Ca -0.03 0.49 0.00 0.00 0.33 0.00 0.00 56.93 57.72 2k11 s PHE 120 Cb -0.05 -2.16 0.00 0.00 -1.31 0.00 0.00 43.02 39.50 2k11 s PHE 120 CO -0.05 0.42 0.00 -3.47 1.83 0.00 0.00 175.22 173.94 2k11 n ASP 121 N 3.02 0.00 -3.60 6.13 -0.08 0.10 -4.92 116.55 117.20 2k11 n ASP 121 Ca -0.16 0.03 -0.01 0.00 -1.51 0.00 0.00 54.79 53.14 2k11 n ASP 121 Cb 0.53 -0.31 0.01 0.00 2.34 0.00 0.00 41.12 43.68 2k11 n ASP 121 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k11 s ALA 122 N -3.71 -1.95 -0.11 -1.67 0.00 -0.95 -5.01 121.76 108.36 2k11 s ALA 122 Ca 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 51.96 51.94 2k11 s ALA 122 Cb 0.00 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 2k11 s ALA 122 CO 0.00 -1.08 0.18 -1.54 0.00 0.00 0.00 175.76 173.32 2k11 s SER 123 N -3.31 6.44 0.87 0.00 1.04 -1.26 0.24 113.70 117.71 2k11 s SER 123 Ca 0.20 0.52 -0.09 0.00 0.48 0.00 0.00 55.95 57.06 2k11 s SER 123 Cb -0.00 -2.10 0.18 0.00 0.10 0.00 0.00 66.02 64.19 2k11 s SER 123 CO 0.01 0.37 1.19 -0.69 0.98 0.00 0.00 173.24 175.10 2k11 s VAL 124 N -0.89 2.03 -0.14 5.02 1.01 -1.01 -4.92 120.40 121.50 2k11 s VAL 124 Ca 0.16 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.91 2k11 s VAL 124 Cb -0.13 -2.76 -0.12 0.00 0.00 0.00 0.00 36.38 33.38 2k11 s VAL 124 CO 0.05 0.00 -0.07 1.21 0.00 0.00 0.00 175.10 176.29 2k11 n GLU 125 N -3.38 1.02 -3.85 2.72 2.13 -1.26 -4.43 120.64 113.59 2k11 n GLU 125 Ca 0.16 0.05 -0.03 0.00 0.66 0.00 0.00 57.16 58.00 2k11 n GLU 125 Cb 0.60 -1.30 0.01 0.00 0.27 0.00 0.00 31.44 31.02 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 -5.08 -0.03 0.00 4.31 -1.08 -1.26 -4.85 116.67 108.67 2k11 s ASP 126 Ca -0.15 -0.61 0.30 0.00 -0.52 0.00 0.00 52.55 51.58 2k11 s ASP 126 Cb 0.05 0.49 1.81 0.00 -1.46 0.00 0.00 42.92 43.81 2k11 s ASP 126 CO 0.40 -0.96 2.14 -0.24 0.52 0.00 0.00 175.17 177.03