#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 1.10 -1.58 2.02 -1.26 -5.13 118.70 115.93 2k11 s GLU 2 Ca 0.00 -2.03 -0.16 0.00 0.02 0.00 0.00 54.97 52.80 2k11 s GLU 2 Cb 0.00 -1.76 0.21 0.00 0.10 0.00 0.00 34.13 32.68 2k11 s GLU 2 CO 0.00 -0.11 0.42 0.43 0.02 0.00 0.00 175.26 176.03 2k11 n SER 3 N -1.10 -3.16 0.03 -0.19 7.64 -1.26 -4.79 113.62 110.78 2k11 n SER 3 Ca -0.05 -0.46 -0.02 0.00 1.01 0.00 0.00 58.87 59.36 2k11 n SER 3 Cb 0.66 -0.83 -0.01 0.00 -1.01 0.00 0.00 64.21 63.02 2k11 n SER 3 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2k11 h ARG 4 N -2.84 -0.11 -0.73 1.43 2.43 -2.00 -3.11 114.38 109.45 2k11 h ARG 4 Ca -0.29 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 58.93 2k11 h ARG 4 Cb 0.91 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.44 2k11 h ARG 4 CO 0.19 -0.08 0.48 0.00 -1.51 0.00 0.00 179.97 179.06 2k11 h ALA 5 N -1.55 1.64 -0.61 2.80 0.00 -1.89 -2.09 119.26 117.57 2k11 h ALA 5 Ca -0.01 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.94 2k11 h ALA 5 Cb 0.09 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 2k11 h ALA 5 CO 0.02 0.26 0.30 0.87 0.00 0.00 0.00 179.25 180.70 2k11 h LYS 6 N 0.82 0.54 -0.60 0.00 1.79 -1.92 -1.05 116.57 116.14 2k11 h LYS 6 Ca 0.31 -0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.78 2k11 h LYS 6 Cb 0.17 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.67 2k11 h LYS 6 CO -0.10 0.36 0.40 -0.22 -1.08 0.00 0.00 179.45 178.81 2k11 h LYS 7 N 0.56 0.68 -0.64 3.15 1.63 -1.30 -1.92 116.57 118.72 2k11 h LYS 7 Ca 0.28 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.99 2k11 h LYS 7 Cb 0.23 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.68 2k11 h LYS 7 CO -0.21 0.45 0.20 0.35 -3.45 0.00 0.00 179.45 176.78 2k11 h PHE 8 N 0.70 1.03 0.34 1.91 3.57 -1.13 -1.62 116.94 121.74 2k11 h PHE 8 Ca 0.24 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2k11 h PHE 8 Cb 0.10 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 2k11 h PHE 8 CO -0.00 0.84 -0.31 1.96 -2.23 0.00 0.00 178.31 178.57 2k11 h GLN 9 N 0.92 -0.62 0.00 1.11 7.50 -0.95 -0.01 115.11 123.07 2k11 h GLN 9 Ca 0.21 0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.40 2k11 h GLN 9 Cb 0.30 0.14 0.00 0.00 0.05 0.00 0.00 27.48 27.97 2k11 h GLN 9 CO -0.01 -0.41 0.00 2.89 -1.50 0.00 0.00 178.83 179.80 2k11 n ARG 10 N -4.28 0.42 -0.08 1.46 1.85 -1.15 -0.11 116.66 114.77 2k11 n ARG 10 Ca -0.08 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.67 2k11 n ARG 10 Cb 0.29 -1.49 -0.05 0.00 -1.05 0.00 0.00 32.46 30.17 2k11 n ARG 10 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2k11 n GLN 11 N -0.99 0.49 -0.01 2.89 6.02 -0.39 -4.83 117.38 120.56 2k11 n GLN 11 Ca 0.10 0.53 -0.02 0.00 -0.01 0.00 0.00 57.00 57.60 2k11 n GLN 11 Cb 0.05 -1.70 -0.01 0.00 1.02 0.00 0.00 30.24 29.59 2k11 n GLN 11 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2k11 n HIS 12 N -4.55 0.00 -1.86 1.08 8.25 -0.16 -4.78 115.22 113.20 2k11 n HIS 12 Ca -0.16 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.92 2k11 n HIS 12 Cb 0.41 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.38 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 -2.06 2.59 -0.10 -0.41 -1.94 0.84 0.16 119.30 118.38 2k11 s MET 13 Ca -0.03 1.05 0.13 0.00 -1.71 0.00 0.00 55.69 55.13 2k11 s MET 13 Cb 0.01 -4.42 0.26 0.00 2.01 0.00 0.00 34.83 32.69 2k11 s MET 13 CO 0.07 -2.75 1.16 -3.47 -0.01 0.00 0.00 175.02 170.03 2k11 n ASP 14 N 13.34 2.55 -0.43 3.03 2.03 0.80 -4.22 116.55 133.65 2k11 n ASP 14 Ca 0.26 -2.73 0.34 0.00 0.52 0.00 0.00 54.79 53.18 2k11 n ASP 14 Cb 0.52 -0.33 0.54 0.00 -0.72 0.00 0.00 41.12 41.13 2k11 n ASP 14 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2k11 n SER 15 N -0.92 0.08 -0.04 1.67 3.41 0.22 -0.82 113.62 117.22 2k11 n SER 15 Ca 0.13 0.86 -0.02 0.00 -0.26 0.00 0.00 58.87 59.57 2k11 n SER 15 Cb 0.57 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 64.08 2k11 n SER 15 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2k11 h ASP 16 N 0.00 -0.34 -3.26 4.04 5.19 -1.86 -3.42 116.42 116.77 2k11 h ASP 16 Ca 0.66 0.05 -0.40 0.00 -0.62 0.00 0.00 57.03 56.72 2k11 h ASP 16 Cb 2.39 0.14 0.21 0.00 0.18 0.00 0.00 39.33 42.25 2k11 h ASP 16 CO -0.17 -0.06 0.00 -0.44 -3.12 0.00 0.00 179.24 175.45 2k11 s SER 17 N -3.22 -0.13 0.06 6.45 0.01 -0.00 -5.05 113.70 111.81 2k11 s SER 17 Ca -0.02 0.75 0.07 0.00 1.31 0.00 0.00 55.95 58.06 2k11 s SER 17 Cb 0.02 -1.05 -0.03 0.00 0.21 0.00 0.00 66.02 65.16 2k11 s SER 17 CO 0.11 -4.78 -0.17 -0.44 0.41 0.00 0.00 173.24 168.36 2k11 s SER 18 N -3.50 3.88 0.74 2.44 0.01 -1.26 -4.94 113.70 111.07 2k11 s SER 18 Ca 0.70 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.53 2k11 s SER 18 Cb -0.11 -0.63 0.00 0.00 0.21 0.00 0.00 66.02 65.48 2k11 s SER 18 CO 0.57 0.24 0.00 -0.81 0.41 0.00 0.00 173.24 173.65 2k11 n PRO 19 N 1.38 -0.50 -3.45 12.44 -0.04 -1.26 -4.56 135.00 139.00 2k11 n PRO 19 Ca -0.16 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.12 2k11 n PRO 19 Cb 0.52 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.07 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 -2.23 -2.90 0.00 3.54 2.88 -1.26 -4.97 113.62 108.67 2k11 n SER 20 Ca 0.00 -0.60 0.00 0.00 -1.33 0.00 0.00 58.87 56.94 2k11 n SER 20 Cb 0.00 -5.08 0.00 0.00 -0.75 0.00 0.00 64.21 58.38 2k11 n SER 20 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k11 n SER 21 N -3.09 0.00 -1.63 -3.46 7.64 -1.26 -4.98 113.62 106.85 2k11 n SER 21 Ca -0.23 0.41 -0.13 0.00 1.01 0.00 0.00 58.87 59.93 2k11 n SER 21 Cb 0.65 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 2k11 n SER 21 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2k11 n SER 22 N -1.98 -4.11 -2.76 6.43 2.88 -1.26 -5.00 113.62 107.83 2k11 n SER 22 Ca 0.00 -0.07 -0.14 0.00 -1.33 0.00 0.00 58.87 57.33 2k11 n SER 22 Cb 0.00 -3.19 -0.04 0.00 -0.75 0.00 0.00 64.21 60.23 2k11 n SER 22 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2k11 n SER 23 N -0.57 -0.99 0.00 -3.46 3.41 -1.26 -4.99 113.62 105.75 2k11 n SER 23 Ca -0.12 -2.69 0.00 0.00 -0.26 0.00 0.00 58.87 55.81 2k11 n SER 23 Cb 0.60 1.94 0.02 0.00 -0.26 0.00 0.00 64.21 66.52 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 -0.51 0.00 -0.20 6.66 -2.24 -1.26 -3.83 114.28 112.90 2k11 n THR 24 Ca 0.02 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.94 2k11 n THR 24 Cb 0.50 -0.76 0.26 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.78 0.53 0.11 4.78 4.19 -1.26 0.16 117.16 124.89 2k11 n TYR 25 Ca 0.01 0.73 -0.13 0.00 3.31 0.00 0.00 57.90 61.81 2k11 n TYR 25 Cb 0.00 -1.04 -0.08 0.00 0.49 0.00 0.00 39.34 38.71 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 -5.07 -0.53 0.03 0.00 2.85 0.41 -0.86 115.26 112.09 2k11 n ASN 27 Ca -0.09 1.09 -0.06 0.00 -0.11 0.00 0.00 54.58 55.41 2k11 n ASN 27 Cb 0.25 -0.19 -0.04 0.00 1.24 0.00 0.00 39.78 41.04 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 -0.23 1.20 4.20 -1.57 -3.26 115.11 115.27 2k11 h GLN 28 Ca 0.16 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.90 2k11 h GLN 28 Cb 0.31 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 2k11 h GLN 28 CO -0.60 0.07 -0.14 -1.33 -0.67 0.00 0.00 178.83 176.16 2k11 n MET 29 N -4.88 -0.10 -0.34 1.46 2.81 -0.23 0.25 117.12 116.08 2k11 n MET 29 Ca -0.04 0.72 0.18 0.00 -1.81 0.00 0.00 57.70 56.75 2k11 n MET 29 Cb 0.16 -1.07 0.40 0.00 -0.71 0.00 0.00 33.22 32.00 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 0.54 0.27 0.03 2.86 -1.16 -1.77 114.93 115.70 2k11 h MET 30 Ca 0.04 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2k11 h MET 30 Cb 0.10 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.64 2k11 h MET 30 CO -0.22 0.36 -0.13 -0.09 1.06 0.00 0.00 176.91 177.89 2k11 h ARG 31 N 0.56 -0.36 -0.79 1.72 2.43 0.32 -3.14 114.38 115.13 2k11 h ARG 31 Ca 0.65 0.02 0.23 0.00 -0.81 0.00 0.00 59.98 60.08 2k11 h ARG 31 Cb 1.27 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.87 2k11 h ARG 31 CO -0.49 -0.24 1.15 0.00 -1.51 0.00 0.00 179.97 178.88 2k11 h ARG 32 N -0.67 0.00 -0.78 0.20 2.47 0.56 1.90 114.38 118.05 2k11 h ARG 32 Ca -0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2k11 h ARG 32 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 2k11 h ARG 32 CO 0.06 0.00 0.00 0.54 0.56 0.00 0.00 179.97 181.13 2k11 n ARG 33 N -3.10 1.13 -3.96 0.04 5.12 -0.70 -4.83 116.66 110.35 2k11 n ARG 33 Ca 0.18 -0.11 -0.31 0.00 -1.93 0.00 0.00 57.85 55.67 2k11 n ARG 33 Cb 1.39 -1.42 0.02 0.00 -1.16 0.00 0.00 32.46 31.28 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 -0.07 -4.57 -0.00 0.55 3.02 0.64 -4.84 115.26 109.99 2k11 n ASN 34 Ca 0.01 -0.81 0.05 0.00 -0.03 0.00 0.00 54.58 53.79 2k11 n ASN 34 Cb 0.23 -3.66 -0.07 0.00 -0.61 0.00 0.00 39.78 35.67 2k11 n ASN 34 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2k11 n MET 35 N -4.62 0.97 -0.56 3.52 2.81 -1.15 -4.48 117.12 113.61 2k11 n MET 35 Ca 0.05 -0.07 0.10 0.00 -1.81 0.00 0.00 57.70 55.97 2k11 n MET 35 Cb 0.52 -1.17 0.34 0.00 -0.71 0.00 0.00 33.22 32.20 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 -1.72 1.70 -2.37 2.03 -2.24 -1.26 -4.70 114.28 105.73 2k11 n THR 36 Ca -0.01 -1.19 -0.43 0.00 -2.27 0.00 0.00 64.05 60.16 2k11 n THR 36 Cb 0.23 0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.62 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 -1.72 4.26 0.00 -0.78 -1.52 -1.26 -3.58 119.66 115.06 2k11 s GLN 37 Ca 0.50 1.75 0.00 0.00 -1.95 0.00 0.00 55.36 55.66 2k11 s GLN 37 Cb 0.31 -3.72 0.00 0.00 -0.22 0.00 0.00 33.01 29.38 2k11 s GLN 37 CO 0.25 -0.65 0.00 0.41 -0.25 0.00 0.00 175.29 175.05 2k11 n GLY 38 N 3.62 1.24 3.20 3.09 0.00 -1.26 -4.87 105.19 110.21 2k11 n GLY 38 Ca 0.14 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 1.12 0.66 1.61 1.70 -1.23 -5.09 118.95 117.71 2k11 s ARG 39 Ca 0.00 -1.57 0.04 0.00 -0.47 0.00 0.00 55.73 53.74 2k11 s ARG 39 Cb 0.00 0.13 0.11 0.00 -0.57 0.00 0.00 34.95 34.63 2k11 s ARG 39 CO 0.00 -0.30 0.91 0.00 -1.08 0.00 0.00 175.30 174.82 2k11 s LYS 41 N -4.93 2.40 -0.02 0.00 2.47 -1.26 -4.93 119.74 113.47 2k11 s LYS 41 Ca 0.65 -0.89 -0.25 0.00 -1.56 0.00 0.00 55.97 53.92 2k11 s LYS 41 Cb -0.05 -2.09 -0.19 0.00 -1.46 0.00 0.00 37.83 34.04 2k11 s LYS 41 CO 0.42 0.41 1.23 -1.00 0.16 0.00 0.00 175.35 176.56 2k11 h PRO 42 N 5.96 -0.06 -3.16 4.03 0.13 -1.96 -3.42 132.00 133.53 2k11 h PRO 42 Ca -0.34 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 2k11 h PRO 42 Cb 1.16 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.21 2k11 h PRO 42 CO 0.47 0.40 0.12 0.08 -0.23 0.00 0.00 178.00 178.84 2k11 s VAL 43 N -4.22 0.02 -0.13 1.56 1.01 -1.26 -3.12 120.40 114.26 2k11 s VAL 43 Ca -0.15 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 2k11 s VAL 43 Cb 0.02 -1.44 0.12 0.00 0.00 0.00 0.00 36.38 35.08 2k11 s VAL 43 CO 0.64 -0.07 0.96 0.21 0.00 0.00 0.00 175.10 176.84 2k11 s ASN 44 N -2.84 -0.38 -0.10 3.32 3.84 0.32 -4.98 114.94 114.13 2k11 s ASN 44 Ca 0.06 0.34 -0.00 0.00 0.21 0.00 0.00 52.86 53.47 2k11 s ASN 44 Cb -0.02 0.33 0.02 0.00 -0.55 0.00 0.00 41.25 41.04 2k11 s ASN 44 CO -0.05 -0.41 -0.07 -0.89 -2.79 0.00 0.00 177.10 172.90 2k11 s THR 45 N -1.50 0.92 0.69 -5.21 2.01 -1.26 0.35 115.64 111.64 2k11 s THR 45 Ca -0.01 -0.24 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 2k11 s THR 45 Cb -0.01 -0.95 0.14 0.00 0.01 0.00 0.00 72.50 71.69 2k11 s THR 45 CO 0.00 0.35 0.95 0.49 -0.69 0.00 0.00 174.62 175.71 2k11 n PHE 46 N 4.85 -3.01 -3.70 4.92 3.72 0.15 -4.41 117.46 119.99 2k11 n PHE 46 Ca -0.13 -1.63 -0.14 0.00 -0.05 0.00 0.00 57.45 55.51 2k11 n PHE 46 Cb 0.50 -0.69 -0.14 0.00 -0.94 0.00 0.00 39.48 38.21 2k11 n PHE 46 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2k11 s VAL 47 N -2.91 -0.22 -1.50 -4.37 1.01 0.41 -2.23 120.40 110.60 2k11 s VAL 47 Ca 0.62 0.24 0.13 0.00 0.00 0.00 0.00 61.98 62.98 2k11 s VAL 47 Cb -0.03 -0.36 0.48 0.00 0.00 0.00 0.00 36.38 36.46 2k11 s VAL 47 CO 0.41 0.10 1.36 1.41 0.00 0.00 0.00 175.10 178.39 2k11 n HIS 48 N 4.84 0.92 -4.10 5.22 8.25 -0.76 0.73 115.22 130.32 2k11 n HIS 48 Ca -0.15 -0.39 -0.27 0.00 -0.26 0.00 0.00 57.72 56.66 2k11 n HIS 48 Cb 0.51 -0.13 -0.06 0.00 1.12 0.00 0.00 29.99 31.43 2k11 n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2k11 s GLU 49 N -1.62 2.82 0.31 -0.41 0.41 -1.23 -4.63 118.70 114.35 2k11 s GLU 49 Ca 0.35 -0.90 -0.29 0.00 -0.41 0.00 0.00 54.97 53.72 2k11 s GLU 49 Cb 0.21 -2.60 -0.10 0.00 -1.78 0.00 0.00 34.13 29.86 2k11 s GLU 49 CO 0.19 0.48 1.23 -1.25 -0.49 0.00 0.00 175.26 175.42 2k11 s PRO 50 N -3.03 4.46 0.09 0.39 0.04 -1.26 -4.30 135.00 131.38 2k11 s PRO 50 Ca 0.30 2.06 -0.35 0.00 0.04 0.00 0.00 61.00 63.05 2k11 s PRO 50 Cb -0.10 -3.12 -0.17 0.00 0.04 0.00 0.00 34.50 31.15 2k11 s PRO 50 CO 0.22 -0.04 1.57 1.25 0.04 0.00 0.00 177.00 180.05 2k11 h LEU 51 N 3.62 -1.29 -0.68 -3.56 5.85 -1.98 -2.22 115.31 115.05 2k11 h LEU 51 Ca -0.48 0.10 0.27 0.00 0.84 0.00 0.00 57.88 58.61 2k11 h LEU 51 Cb 1.22 0.42 -0.10 0.00 0.37 0.00 0.00 40.66 42.57 2k11 h LEU 51 CO 0.66 -0.65 0.39 0.55 -0.34 0.00 0.00 178.44 179.05 2k11 n VAL 52 N -5.56 -0.23 0.17 1.05 3.14 -1.26 0.16 118.33 115.81 2k11 n VAL 52 Ca -0.12 1.20 -0.13 0.00 -2.96 0.00 0.00 64.34 62.33 2k11 n VAL 52 Cb 0.45 -1.96 -0.08 0.00 -1.06 0.00 0.00 33.84 31.20 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 -0.39 -0.81 6.55 1.82 -1.79 -2.68 116.42 119.11 2k11 h ASP 53 Ca 0.52 -0.15 0.13 0.00 -0.39 0.00 0.00 57.03 57.14 2k11 h ASP 53 Cb 1.47 0.10 -0.06 0.00 0.68 0.00 0.00 39.33 41.53 2k11 h ASP 53 CO -0.42 -0.02 0.53 0.58 -1.61 0.00 0.00 179.24 178.30 2k11 h VAL 54 N -0.82 0.87 -0.24 2.25 2.07 0.16 -1.67 116.25 118.87 2k11 h VAL 54 Ca -0.05 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2k11 h VAL 54 Cb 0.52 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2k11 h VAL 54 CO 0.08 0.11 0.13 1.56 0.02 0.00 0.00 177.57 179.47 2k11 h GLN 55 N 0.63 0.34 -0.40 1.57 4.20 -1.07 -2.08 115.11 118.31 2k11 h GLN 55 Ca 0.39 -0.04 0.12 0.00 0.06 0.00 0.00 58.65 59.18 2k11 h GLN 55 Cb 0.64 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 2k11 h GLN 55 CO -0.16 0.32 0.41 -0.91 -0.67 0.00 0.00 178.83 177.82 2k11 h ASN 56 N 0.27 0.00 -0.53 1.46 2.35 -0.95 -0.73 115.58 117.45 2k11 h ASN 56 Ca 0.08 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.87 2k11 h ASN 56 Cb 0.08 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 2k11 h ASN 56 CO -0.01 0.00 0.30 0.58 -1.65 0.00 0.00 177.43 176.65 2k11 h VAL 57 N 0.00 1.02 0.00 2.81 2.07 -1.28 0.13 116.25 121.00 2k11 h VAL 57 Ca 0.19 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2k11 h VAL 57 Cb 1.01 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2k11 h VAL 57 CO -0.00 0.11 0.04 0.00 0.02 0.00 0.00 177.57 177.74 2k11 n PHE 59 N -2.79 0.00 -0.09 0.00 3.72 -0.15 -4.67 117.46 113.49 2k11 n PHE 59 Ca -0.02 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.30 2k11 n PHE 59 Cb 0.10 0.00 -0.03 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 -0.87 0.51 -4.54 -1.08 1.13 0.45 -5.06 117.38 107.92 2k11 n GLN 60 Ca 0.04 0.28 -0.25 0.00 -1.94 0.00 0.00 57.00 55.13 2k11 n GLN 60 Cb 0.26 -1.48 -0.11 0.00 0.11 0.00 0.00 30.24 29.02 2k11 n GLN 60 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2k11 s GLU 61 N -2.76 1.82 0.02 -1.09 2.12 0.10 -5.08 118.70 113.83 2k11 s GLU 61 Ca -0.26 -2.03 -0.16 0.00 0.36 0.00 0.00 54.97 52.87 2k11 s GLU 61 Cb 0.04 -1.22 0.03 0.00 0.26 0.00 0.00 34.13 33.23 2k11 s GLU 61 CO 0.38 -0.15 0.36 0.21 -0.54 0.00 0.00 175.26 175.52 2k11 s LYS 62 N -3.81 0.80 0.09 4.30 2.36 -1.26 -4.37 119.74 117.85 2k11 s LYS 62 Ca 0.34 -0.30 -0.01 0.00 -2.55 0.00 0.00 55.97 53.45 2k11 s LYS 62 Cb 0.09 0.36 -0.04 0.00 -1.05 0.00 0.00 37.83 37.18 2k11 s LYS 62 CO 0.16 -0.25 -0.00 0.14 1.55 0.00 0.00 175.35 176.95 2k11 s VAL 63 N -1.99 0.25 0.51 4.02 -7.23 -0.36 -4.76 120.40 110.84 2k11 s VAL 63 Ca -0.09 -1.86 -0.06 0.00 -1.81 0.00 0.00 61.98 58.16 2k11 s VAL 63 Cb -0.02 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 2k11 s VAL 63 CO 0.01 -0.78 0.83 -0.89 -0.31 0.00 0.00 175.10 173.96 2k11 s THR 64 N -3.92 4.87 0.33 5.32 2.01 -1.26 -3.66 115.64 119.33 2k11 s THR 64 Ca 0.14 0.34 0.05 0.00 0.31 0.00 0.00 61.69 62.53 2k11 s THR 64 Cb 0.07 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 2k11 s THR 64 CO -0.05 -0.91 0.21 0.00 -0.69 0.00 0.00 174.62 173.18 2k11 n LYS 66 N -0.65 -0.31 -0.11 0.00 4.81 -1.26 0.20 118.16 120.84 2k11 n LYS 66 Ca 0.03 1.33 0.26 0.00 -0.87 0.00 0.00 58.31 59.06 2k11 n LYS 66 Cb 0.64 -1.96 0.72 0.00 0.02 0.00 0.00 35.03 34.45 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 0.00 -0.01 3.14 -1.07 -2.04 -3.44 115.58 112.16 2k11 h ASN 67 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.48 2k11 h ASN 67 Cb 0.29 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.54 2k11 h ASN 67 CO -0.66 0.00 0.00 0.61 0.07 0.00 0.00 177.43 177.45 2k11 n GLY 68 N -1.65 1.68 3.51 9.14 0.00 0.52 -5.11 105.19 113.28 2k11 n GLY 68 Ca 0.16 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2k11 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k11 s GLN 69 N -1.51 1.91 0.00 1.61 -1.52 -1.25 -4.77 119.66 114.13 2k11 s GLN 69 Ca 0.00 -2.16 -0.01 0.00 -1.95 0.00 0.00 55.36 51.24 2k11 s GLN 69 Cb 0.00 -0.63 -0.05 0.00 -0.22 0.00 0.00 33.01 32.11 2k11 s GLN 69 CO 0.00 -0.46 2.20 0.41 -0.25 0.00 0.00 175.29 177.19 2k11 n GLY 70 N -0.90 2.51 0.09 3.09 0.00 -1.26 -1.87 105.19 106.86 2k11 n GLY 70 Ca -0.06 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 1.69 0.46 -4.42 1.61 5.15 -1.26 -4.75 115.26 113.75 2k11 n ASN 71 Ca 0.07 0.62 -0.21 0.00 -0.60 0.00 0.00 54.58 54.46 2k11 n ASN 71 Cb 0.55 -0.71 -0.10 0.00 -0.53 0.00 0.00 39.78 38.98 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 -3.07 -0.41 -0.09 0.00 1.51 0.01 -1.22 117.35 114.08 2k11 s TYR 73 Ca 0.30 0.43 0.01 0.00 -1.01 0.00 0.00 57.07 56.80 2k11 s TYR 73 Cb 0.04 0.34 -0.02 0.00 -0.11 0.00 0.00 41.96 42.21 2k11 s TYR 73 CO 0.12 -0.65 -0.12 0.15 -1.11 0.00 0.00 175.55 173.94 2k11 s LYS 74 N -2.55 2.99 0.75 -0.62 1.02 -1.26 -1.67 119.74 118.40 2k11 s LYS 74 Ca -0.05 -0.67 -0.15 0.00 0.02 0.00 0.00 55.97 55.12 2k11 s LYS 74 Cb -0.01 -2.54 0.01 0.00 -0.52 0.00 0.00 37.83 34.77 2k11 s LYS 74 CO -0.03 0.42 0.84 -1.13 -0.92 0.00 0.00 175.35 174.54 2k11 n SER 75 N 2.92 -0.09 -0.03 2.83 3.41 -0.65 -4.47 113.62 117.53 2k11 n SER 75 Ca -0.18 0.61 -0.11 0.00 -0.26 0.00 0.00 58.87 58.93 2k11 n SER 75 Cb 0.52 -1.35 -0.06 0.00 -0.26 0.00 0.00 64.21 63.06 2k11 n SER 75 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2k11 h ASN 76 N -0.49 0.18 -4.37 4.04 -0.26 -1.93 -3.46 115.58 109.30 2k11 h ASN 76 Ca -0.46 -0.21 -0.51 0.00 -0.56 0.00 0.00 56.30 54.56 2k11 h ASN 76 Cb 1.33 -0.05 -0.13 0.00 -1.06 0.00 0.00 38.32 38.41 2k11 h ASN 76 CO 0.45 0.35 -0.51 -0.44 -1.06 0.00 0.00 177.43 176.21 2k11 s SER 77 N -5.58 2.20 0.52 5.81 0.01 -1.26 -5.08 113.70 110.31 2k11 s SER 77 Ca -0.14 -1.69 -0.21 0.00 1.31 0.00 0.00 55.95 55.22 2k11 s SER 77 Cb 0.06 0.52 -0.08 0.00 0.21 0.00 0.00 66.02 66.73 2k11 s SER 77 CO 0.70 -0.98 0.84 -1.54 0.41 0.00 0.00 173.24 172.66 2k11 n SER 78 N -1.34 0.35 -3.76 2.44 3.41 -1.26 -4.40 113.62 109.06 2k11 n SER 78 Ca -0.00 0.88 -0.21 0.00 -0.26 0.00 0.00 58.87 59.28 2k11 n SER 78 Cb 0.64 -1.30 -0.17 0.00 -0.26 0.00 0.00 64.21 63.12 2k11 n SER 78 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2k11 s MET 79 N -2.24 0.37 0.27 4.33 1.75 -0.52 -4.75 119.30 118.52 2k11 s MET 79 Ca 0.69 0.16 -0.30 0.00 -1.25 0.00 0.00 55.69 54.98 2k11 s MET 79 Cb -0.49 -0.73 -0.13 0.00 2.84 0.00 0.00 34.83 36.33 2k11 s MET 79 CO 0.53 -0.26 1.47 0.72 -0.65 0.00 0.00 175.02 176.83 2k11 n HIS 80 N 4.88 2.45 -4.02 4.11 8.25 -1.26 -1.62 115.22 128.01 2k11 n HIS 80 Ca -0.12 0.38 -0.11 0.00 -0.26 0.00 0.00 57.72 57.61 2k11 n HIS 80 Cb 0.50 -2.51 -0.05 0.00 1.12 0.00 0.00 29.99 29.05 2k11 n HIS 80 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2k11 s ILE 81 N -0.15 0.00 -0.06 1.59 -0.00 -0.04 -1.83 121.20 120.71 2k11 s ILE 81 Ca 0.65 -1.47 0.02 0.00 -0.00 0.00 0.00 60.65 59.85 2k11 s ILE 81 Cb -0.58 -2.38 0.01 0.00 -0.00 0.00 0.00 42.46 39.51 2k11 s ILE 81 CO 0.51 0.00 -0.12 -0.89 -0.00 0.00 0.00 174.94 174.43 2k11 s THR 82 N -3.67 1.13 -0.22 8.37 2.01 -0.95 -2.63 115.64 119.68 2k11 s THR 82 Ca 0.25 -0.48 -0.20 0.00 0.31 0.00 0.00 61.69 61.57 2k11 s THR 82 Cb -0.00 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 2k11 s THR 82 CO 0.12 0.35 0.58 -0.62 -0.69 0.00 0.00 174.62 174.37 2k11 s ASP 83 N 0.60 6.60 -0.31 3.53 -1.08 -0.74 0.34 116.67 125.60 2k11 s ASP 83 Ca -0.13 0.73 0.03 0.00 -0.52 0.00 0.00 52.55 52.65 2k11 s ASP 83 Cb -0.15 -2.32 0.09 0.00 -1.46 0.00 0.00 42.92 39.08 2k11 s ASP 83 CO 0.03 -0.27 0.01 0.00 0.52 0.00 0.00 175.17 175.47 2k11 s ARG 85 N 1.02 0.61 0.17 0.00 3.52 -1.22 0.12 118.95 123.17 2k11 s ARG 85 Ca 0.06 -0.43 -0.34 0.00 -0.13 0.00 0.00 55.73 54.90 2k11 s ARG 85 Cb -0.19 -0.55 -0.15 0.00 -1.56 0.00 0.00 34.95 32.50 2k11 s ARG 85 CO -0.09 0.14 1.38 1.28 -0.81 0.00 0.00 175.30 177.21 2k11 n LEU 86 N 2.47 2.42 -4.59 -0.88 4.77 -1.18 0.25 117.00 120.25 2k11 n LEU 86 Ca -0.16 1.12 -0.37 0.00 -0.03 0.00 0.00 56.01 56.57 2k11 n LEU 86 Cb 0.57 -1.33 -0.11 0.00 -2.33 0.00 0.00 43.42 40.22 2k11 n LEU 86 CO 0.24 -0.74 -0.20 0.28 -1.33 0.00 0.00 177.39 175.63 2k11 s THR 87 N 0.29 5.07 -0.74 -5.08 -1.32 0.66 -4.43 115.64 110.09 2k11 s THR 87 Ca 0.76 0.08 -0.01 0.00 -1.21 0.00 0.00 61.69 61.31 2k11 s THR 87 Cb -0.77 -3.38 0.00 0.00 -1.51 0.00 0.00 72.50 66.84 2k11 s THR 87 CO 0.46 0.32 0.62 -3.20 -2.21 0.00 0.00 174.62 170.62 2k11 n ASN 88 N 4.64 -2.55 -2.30 8.08 4.05 -1.26 -2.82 115.26 123.10 2k11 n ASN 88 Ca -0.15 -0.36 -0.07 0.00 0.45 0.00 0.00 54.58 54.45 2k11 n ASN 88 Cb 0.52 -3.27 -0.01 0.00 1.23 0.00 0.00 39.78 38.25 2k11 n ASN 88 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2k11 n GLY 89 N -1.14 -0.35 3.63 8.20 0.00 -1.26 -4.81 105.19 109.46 2k11 n GLY 89 Ca -0.14 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.42 2.26 -4.27 1.61 7.64 -1.13 -4.99 113.62 113.33 2k11 n SER 90 Ca -0.08 1.13 -0.15 0.00 1.01 0.00 0.00 58.87 60.78 2k11 n SER 90 Cb 0.52 -1.33 -0.10 0.00 -1.01 0.00 0.00 64.21 62.29 2k11 n SER 90 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2k11 s ARG 91 N 0.04 1.12 0.25 1.43 3.00 0.76 -4.74 118.95 120.81 2k11 s ARG 91 Ca 0.75 -1.50 -0.30 0.00 -1.00 0.00 0.00 55.73 53.68 2k11 s ARG 91 Cb -0.76 -0.63 -0.14 0.00 0.00 0.00 0.00 34.95 33.42 2k11 s ARG 91 CO 0.47 0.04 1.22 0.98 0.00 0.00 0.00 175.30 178.01 2k11 n TYR 92 N -0.24 1.72 0.25 5.12 4.19 -1.26 0.28 117.16 127.21 2k11 n TYR 92 Ca -0.09 0.59 0.13 0.00 3.31 0.00 0.00 57.90 61.83 2k11 n TYR 92 Cb 0.61 -2.35 0.58 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 3.11 0.00 -5.74 2.98 0.13 -1.99 -3.49 132.00 127.00 2k11 h PRO 93 Ca -0.43 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.14 2k11 h PRO 93 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2k11 h PRO 93 CO 0.68 0.15 1.56 0.09 -0.23 0.00 0.00 178.00 180.24 2k11 n ASN 94 N -3.35 2.25 -0.23 1.44 5.03 0.81 -4.76 115.26 116.46 2k11 n ASN 94 Ca -0.00 0.00 0.08 0.00 0.87 0.00 0.00 54.58 55.53 2k11 n ASN 94 Cb 0.36 -1.41 0.14 0.00 -1.02 0.00 0.00 39.78 37.85 2k11 n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k11 n ALA 96 N -1.05 0.58 -3.47 0.00 0.00 -1.26 -4.50 120.51 110.80 2k11 n ALA 96 Ca 0.14 0.24 -0.25 0.00 0.00 0.00 0.00 53.44 53.57 2k11 n ALA 96 Cb 0.61 -2.43 0.03 0.00 0.00 0.00 0.00 19.45 17.67 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 6.97 -1.43 -3.99 0.00 4.01 -1.26 -0.25 117.16 121.21 2k11 n TYR 97 Ca 0.28 -2.13 -0.32 0.00 -0.16 0.00 0.00 57.90 55.56 2k11 n TYR 97 Cb 0.23 -0.48 -0.15 0.00 -0.31 0.00 0.00 39.34 38.64 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 -4.33 1.70 -0.55 -0.72 0.52 0.68 -4.45 118.95 111.80 2k11 s ARG 98 Ca 0.43 -1.76 -0.28 0.00 -0.52 0.00 0.00 55.73 53.60 2k11 s ARG 98 Cb -0.03 -3.20 0.01 0.00 0.52 0.00 0.00 34.95 32.25 2k11 s ARG 98 CO 0.28 -0.88 1.41 0.99 0.02 0.00 0.00 175.30 177.12 2k11 s THR 99 N 0.97 3.80 -0.44 0.02 2.01 -1.23 -3.44 115.64 117.34 2k11 s THR 99 Ca 0.07 0.70 -0.07 0.00 0.31 0.00 0.00 61.69 62.70 2k11 s THR 99 Cb -0.20 -4.41 0.11 0.00 0.01 0.00 0.00 72.50 68.01 2k11 s THR 99 CO -0.07 -1.12 0.29 -0.55 -0.69 0.00 0.00 174.62 172.47 2k11 s SER 100 N 4.37 5.55 -0.11 3.53 0.15 -0.21 -4.07 113.70 122.91 2k11 s SER 100 Ca 0.53 -1.88 -0.29 0.00 0.70 0.00 0.00 55.95 55.01 2k11 s SER 100 Cb -0.11 -1.95 -0.04 0.00 -1.71 0.00 0.00 66.02 62.21 2k11 s SER 100 CO 0.26 -0.62 1.54 -2.16 1.20 0.00 0.00 173.24 173.45 2k11 s PRO 101 N 1.30 4.14 0.31 5.44 0.04 -1.26 -1.80 135.00 143.18 2k11 s PRO 101 Ca 0.06 1.96 -0.14 0.00 0.04 0.00 0.00 61.00 62.92 2k11 s PRO 101 Cb -0.25 -3.93 0.02 0.00 0.04 0.00 0.00 34.50 30.38 2k11 s PRO 101 CO -0.01 -0.87 0.63 0.15 0.04 0.00 0.00 177.00 176.94 2k11 s LYS 102 N 3.97 1.87 -0.16 4.56 1.02 -1.08 -4.96 119.74 124.97 2k11 s LYS 102 Ca 0.68 -1.33 -0.06 0.00 0.02 0.00 0.00 55.97 55.28 2k11 s LYS 102 Cb -0.29 0.55 0.07 0.00 -0.52 0.00 0.00 37.83 37.64 2k11 s LYS 102 CO 0.25 -0.83 0.33 -1.83 -0.92 0.00 0.00 175.35 172.35 2k11 s GLU 103 N -3.34 0.24 0.09 1.68 -1.05 -1.26 -0.86 118.70 114.19 2k11 s GLU 103 Ca 0.19 0.84 -0.27 0.00 -0.15 0.00 0.00 54.97 55.59 2k11 s GLU 103 Cb -0.03 0.10 0.08 0.00 -0.44 0.00 0.00 34.13 33.84 2k11 s GLU 103 CO 0.11 -0.25 0.99 0.50 0.95 0.00 0.00 175.26 177.56 2k11 s ARG 104 N 2.33 1.00 1.07 -4.83 6.06 -0.64 -4.71 118.95 119.23 2k11 s ARG 104 Ca -0.01 -0.52 -0.17 0.00 -2.50 0.00 0.00 55.73 52.53 2k11 s ARG 104 Cb -0.12 0.36 0.08 0.00 0.06 0.00 0.00 34.95 35.33 2k11 s ARG 104 CO -0.10 -0.45 0.10 0.72 -2.50 0.00 0.00 175.30 173.06 2k11 n HIS 105 N -0.42 -1.47 -3.67 5.12 8.25 -1.26 -1.44 115.22 120.33 2k11 n HIS 105 Ca -0.07 0.17 -0.11 0.00 -0.26 0.00 0.00 57.72 57.45 2k11 n HIS 105 Cb 0.61 -1.63 -0.06 0.00 1.12 0.00 0.00 29.99 30.04 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 -2.28 0.07 -0.14 1.59 -4.36 -1.26 -1.47 121.20 113.34 2k11 s ILE 106 Ca 0.56 -0.58 0.02 0.00 -0.26 0.00 0.00 60.65 60.38 2k11 s ILE 106 Cb -0.14 -1.08 0.01 0.00 1.25 0.00 0.00 42.46 42.50 2k11 s ILE 106 CO 0.67 -0.32 -0.20 -0.63 0.24 0.00 0.00 174.94 174.70 2k11 s ILE 107 N -3.22 1.91 0.19 8.37 1.01 -0.95 -1.63 121.20 126.88 2k11 s ILE 107 Ca -0.01 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 59.82 2k11 s ILE 107 Cb 0.01 -1.71 -0.05 0.00 0.01 0.00 0.00 42.46 40.72 2k11 s ILE 107 CO -0.08 0.52 -0.09 0.68 0.00 0.00 0.00 174.94 175.97 2k11 s VAL 108 N 0.99 1.35 -0.40 2.92 -7.23 -0.67 -1.60 120.40 115.75 2k11 s VAL 108 Ca -0.04 -2.10 -0.04 0.00 -1.81 0.00 0.00 61.98 57.99 2k11 s VAL 108 Cb -0.15 -2.06 0.10 0.00 0.56 0.00 0.00 36.38 34.83 2k11 s VAL 108 CO -0.05 -0.58 0.19 0.00 -0.31 0.00 0.00 175.10 174.36 2k11 s ALA 109 N -3.22 3.14 0.22 1.32 0.00 -0.92 -0.81 121.76 121.50 2k11 s ALA 109 Ca 0.22 -2.38 -0.13 0.00 0.00 0.00 0.00 51.96 49.67 2k11 s ALA 109 Cb 0.02 -2.41 -0.08 0.00 0.00 0.00 0.00 23.12 20.66 2k11 s ALA 109 CO 0.05 -1.71 0.61 0.00 0.00 0.00 0.00 175.76 174.70 2k11 s GLU 111 N -2.50 1.96 2.42 0.00 -6.30 -0.59 -4.85 118.70 108.85 2k11 s GLU 111 Ca 0.45 -1.24 0.00 0.00 -2.50 0.00 0.00 54.97 51.68 2k11 s GLU 111 Cb -0.13 0.56 0.00 0.00 0.00 0.00 0.00 34.13 34.57 2k11 s GLU 111 CO 0.20 -0.92 0.00 0.41 0.02 0.00 0.00 175.26 174.97 2k11 n GLY 112 N -0.56 -0.69 2.89 -1.50 0.00 -1.26 -3.57 105.19 100.50 2k11 n GLY 112 Ca -0.07 -1.15 -0.15 0.00 0.00 0.00 0.00 46.02 44.66 2k11 n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k11 s SER 113 N -4.00 0.27 1.22 1.61 0.01 -1.26 -3.86 113.70 107.69 2k11 s SER 113 Ca 0.00 0.32 -0.18 0.00 1.31 0.00 0.00 55.95 57.40 2k11 s SER 113 Cb 0.00 0.23 0.27 0.00 0.21 0.00 0.00 66.02 66.73 2k11 s SER 113 CO 0.00 -0.19 0.96 -0.81 0.41 0.00 0.00 173.24 173.61 2k11 n PRO 114 N 4.71 -2.91 -2.41 12.44 -0.04 -1.26 -5.03 135.00 140.48 2k11 n PRO 114 Ca -0.17 -1.54 -0.41 0.00 -0.04 0.00 0.00 63.50 61.34 2k11 n PRO 114 Cb 0.51 -1.45 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 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 -2.74 2.19 0.07 0.54 5.04 -1.25 -4.79 117.35 116.41 2k11 s TYR 115 Ca 0.63 0.29 0.03 0.00 -2.44 0.00 0.00 57.07 55.58 2k11 s TYR 115 Cb -0.06 -4.45 -0.03 0.00 0.35 0.00 0.00 41.96 37.76 2k11 s TYR 115 CO 0.48 -2.05 -0.08 0.14 -1.34 0.00 0.00 175.55 172.69 2k11 s VAL 116 N 6.37 0.72 -0.24 3.14 -7.23 -1.23 -4.89 120.40 117.04 2k11 s VAL 116 Ca 0.47 -1.49 -0.29 0.00 -1.81 0.00 0.00 61.98 58.86 2k11 s VAL 116 Cb -0.10 -1.15 -0.02 0.00 0.56 0.00 0.00 36.38 35.67 2k11 s VAL 116 CO 0.20 -0.57 1.62 -2.16 -0.31 0.00 0.00 175.10 173.89 2k11 s PRO 117 N -2.57 3.74 -0.11 4.82 0.04 -1.26 -1.54 135.00 138.13 2k11 s PRO 117 Ca 0.01 1.61 0.14 0.00 0.04 0.00 0.00 61.00 62.80 2k11 s PRO 117 Cb -0.04 -4.05 0.39 0.00 0.04 0.00 0.00 34.50 30.85 2k11 s PRO 117 CO -0.01 -1.36 1.31 1.33 0.04 0.00 0.00 177.00 178.31 2k11 n VAL 118 N 6.53 1.77 -3.56 -0.36 0.24 -0.99 -4.74 118.33 117.21 2k11 n VAL 118 Ca 0.19 -1.61 -0.11 0.00 -2.04 0.00 0.00 64.34 60.78 2k11 n VAL 118 Cb 0.45 0.02 -0.05 0.00 -1.47 0.00 0.00 33.84 32.80 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 -2.16 -0.38 -0.07 6.34 5.65 -1.23 -4.68 115.29 118.76 2k11 s HIS 119 Ca 0.32 0.58 0.04 0.00 0.25 0.00 0.00 55.06 56.26 2k11 s HIS 119 Cb 0.24 0.46 -0.02 0.00 -1.18 0.00 0.00 32.58 32.09 2k11 s HIS 119 CO 0.09 -0.39 -0.20 0.12 -0.65 0.00 0.00 174.74 173.71 2k11 s PHE 120 N -1.49 2.56 0.00 3.88 2.19 -1.26 -2.17 117.98 121.69 2k11 s PHE 120 Ca -0.01 -0.56 0.00 0.00 0.33 0.00 0.00 56.93 56.69 2k11 s PHE 120 Cb -0.01 -1.64 0.00 0.00 -1.31 0.00 0.00 43.02 40.06 2k11 s PHE 120 CO 0.00 -0.11 0.00 -3.47 1.83 0.00 0.00 175.22 173.47 2k11 n ASP 121 N 2.87 0.00 -3.59 6.13 -0.08 -0.63 -4.97 116.55 116.28 2k11 n ASP 121 Ca -0.17 0.02 -0.08 0.00 -1.51 0.00 0.00 54.79 53.05 2k11 n ASP 121 Cb 0.52 -0.21 -0.04 0.00 2.34 0.00 0.00 41.12 43.72 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 -4.08 -1.98 0.49 -1.67 0.00 -1.22 -5.04 121.76 108.26 2k11 s ALA 122 Ca 0.00 1.62 -0.19 0.00 0.00 0.00 0.00 51.96 53.38 2k11 s ALA 122 Cb 0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 23.12 22.29 2k11 s ALA 122 CO 0.00 -0.36 1.02 -1.54 0.00 0.00 0.00 175.76 174.88 2k11 s SER 123 N -1.32 6.42 0.55 0.00 1.04 -1.26 -2.24 113.70 116.88 2k11 s SER 123 Ca 0.03 1.83 0.08 0.00 0.48 0.00 0.00 55.95 58.37 2k11 s SER 123 Cb -0.01 -2.55 0.07 0.00 0.10 0.00 0.00 66.02 63.64 2k11 s SER 123 CO -0.02 -0.73 0.76 -0.69 0.98 0.00 0.00 173.24 173.54 2k11 s VAL 124 N -2.14 2.36 -0.05 5.02 1.01 -0.54 -4.92 120.40 121.13 2k11 s VAL 124 Ca 0.65 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 2k11 s VAL 124 Cb -0.14 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 2k11 s VAL 124 CO 0.22 0.00 -0.09 1.21 0.00 0.00 0.00 175.10 176.43 2k11 n GLU 125 N -2.21 0.15 -3.65 2.72 2.13 -1.26 -4.34 120.64 114.18 2k11 n GLU 125 Ca 0.14 0.12 -0.12 0.00 0.66 0.00 0.00 57.16 57.95 2k11 n GLU 125 Cb 0.61 -0.83 -0.06 0.00 0.27 0.00 0.00 31.44 31.43 2k11 n GLU 125 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2k11 s ASP 126 N -4.48 -0.28 0.00 4.31 2.15 -1.26 -4.69 116.67 112.42 2k11 s ASP 126 Ca -0.08 -0.07 0.30 0.00 0.43 0.00 0.00 52.55 53.13 2k11 s ASP 126 Cb 0.01 0.44 1.45 0.00 -0.30 0.00 0.00 42.92 44.52 2k11 s ASP 126 CO 0.11 -0.71 1.97 -1.54 -0.17 0.00 0.00 175.17 174.84