#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 3.49 0.84 1.97 2.56 -1.26 -5.11 118.70 121.19 2k11 s GLU 2 Ca 0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 54.97 54.24 2k11 s GLU 2 Cb 0.00 -2.76 0.10 0.00 2.00 0.00 0.00 34.13 33.46 2k11 s GLU 2 CO 0.00 0.20 1.10 -1.12 -0.56 0.00 0.00 175.26 174.87 2k11 s SER 3 N 0.43 4.03 -0.04 -1.70 0.01 -1.26 -5.00 113.70 110.17 2k11 s SER 3 Ca -0.07 1.36 -0.20 0.00 1.31 0.00 0.00 55.95 58.35 2k11 s SER 3 Cb -0.15 -2.07 -0.14 0.00 0.21 0.00 0.00 66.02 63.88 2k11 s SER 3 CO 0.04 -2.27 0.84 -0.09 0.41 0.00 0.00 173.24 172.17 2k11 h ARG 4 N -1.29 -0.32 -0.97 12.44 2.43 -2.00 -3.24 114.38 121.43 2k11 h ARG 4 Ca -0.48 0.02 0.16 0.00 -0.81 0.00 0.00 59.98 58.87 2k11 h ARG 4 Cb 1.28 0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 30.80 2k11 h ARG 4 CO 0.58 0.03 0.58 0.00 -1.51 0.00 0.00 179.97 179.64 2k11 h ALA 5 N -0.54 1.54 -0.52 2.80 0.00 -1.91 -1.42 119.26 119.21 2k11 h ALA 5 Ca -0.03 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.05 2k11 h ALA 5 Cb 0.49 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.08 2k11 h ALA 5 CO 0.06 0.03 -0.07 0.87 0.00 0.00 0.00 179.25 180.13 2k11 h LYS 6 N 0.80 0.05 -0.94 0.00 1.79 -1.91 0.12 116.57 116.48 2k11 h LYS 6 Ca 0.53 -0.00 0.20 0.00 -2.18 0.00 0.00 60.65 59.19 2k11 h LYS 6 Cb 0.72 -0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 31.28 2k11 h LYS 6 CO -0.34 0.03 0.61 -0.22 -1.08 0.00 0.00 179.45 178.45 2k11 h LYS 7 N 0.05 0.54 -0.16 3.15 3.11 -1.28 0.18 116.57 122.17 2k11 h LYS 7 Ca 0.26 -0.03 -0.14 0.00 -2.81 0.00 0.00 60.65 57.93 2k11 h LYS 7 Cb 0.40 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.50 2k11 h LYS 7 CO -0.49 0.36 -0.51 0.35 -2.81 0.00 0.00 179.45 176.34 2k11 h PHE 8 N 0.55 0.53 0.35 1.91 3.57 -0.78 -2.59 116.94 120.48 2k11 h PHE 8 Ca 0.51 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 2k11 h PHE 8 Cb 1.05 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.69 2k11 h PHE 8 CO -0.00 0.85 -0.17 1.96 -2.23 0.00 0.00 178.31 178.72 2k11 h GLN 9 N 0.34 -0.45 0.00 1.11 7.50 0.13 -2.21 115.11 121.53 2k11 h GLN 9 Ca 0.01 0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.19 2k11 h GLN 9 Cb 1.01 0.10 0.00 0.00 0.05 0.00 0.00 27.48 28.64 2k11 h GLN 9 CO 0.09 -0.20 0.00 0.54 -1.50 0.00 0.00 178.83 177.76 2k11 n ARG 10 N -5.22 0.81 -0.09 1.46 1.74 -0.78 -1.55 116.66 113.03 2k11 n ARG 10 Ca -0.10 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.88 2k11 n ARG 10 Cb 0.25 -1.11 -0.03 0.00 -1.02 0.00 0.00 32.46 30.55 2k11 n ARG 10 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2k11 n GLN 11 N -0.61 0.52 -0.01 5.56 6.02 -0.90 -4.89 117.38 123.07 2k11 n GLN 11 Ca 0.04 0.28 -0.02 0.00 -0.01 0.00 0.00 57.00 57.30 2k11 n GLN 11 Cb 0.02 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 29.78 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 -4.47 0.00 -1.75 1.08 8.25 -0.88 -4.82 115.22 112.62 2k11 n HIS 12 Ca -0.16 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.92 2k11 n HIS 12 Cb 0.50 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.48 2k11 n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2k11 s MET 13 N -2.05 2.49 -0.12 -0.41 -1.94 -0.60 0.89 119.30 117.56 2k11 s MET 13 Ca -0.03 1.24 0.15 0.00 -1.71 0.00 0.00 55.69 55.34 2k11 s MET 13 Cb 0.01 -4.47 0.33 0.00 2.01 0.00 0.00 34.83 32.72 2k11 s MET 13 CO 0.06 -2.85 1.23 -3.47 -0.01 0.00 0.00 175.02 169.98 2k11 n ASP 14 N 13.97 2.84 -0.22 3.03 -0.08 0.23 -4.34 116.55 131.97 2k11 n ASP 14 Ca 0.30 -2.85 0.14 0.00 -1.51 0.00 0.00 54.79 50.86 2k11 n ASP 14 Cb 0.52 -0.40 0.27 0.00 2.34 0.00 0.00 41.12 43.85 2k11 n ASP 14 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2k11 n SER 15 N -0.89 0.05 -0.30 1.67 3.41 0.69 0.60 113.62 118.85 2k11 n SER 15 Ca 0.15 1.09 0.04 0.00 -0.26 0.00 0.00 58.87 59.90 2k11 n SER 15 Cb 0.66 -0.45 0.10 0.00 -0.26 0.00 0.00 64.21 64.25 2k11 n SER 15 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2k11 n ASP 16 N -4.70 -0.35 -4.85 4.04 5.68 -1.26 -4.39 116.55 110.72 2k11 n ASP 16 Ca 0.19 1.42 -0.29 0.00 -0.50 0.00 0.00 54.79 55.61 2k11 n ASP 16 Cb 0.64 -0.41 0.09 0.00 -1.14 0.00 0.00 41.12 40.30 2k11 n ASP 16 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2k11 s SER 17 N -5.23 4.49 0.38 -1.12 0.01 0.20 -5.08 113.70 107.35 2k11 s SER 17 Ca -0.12 1.02 0.08 0.00 1.31 0.00 0.00 55.95 58.24 2k11 s SER 17 Cb 0.21 -1.66 -0.01 0.00 0.21 0.00 0.00 66.02 64.77 2k11 s SER 17 CO 0.63 -1.94 0.42 -0.44 0.41 0.00 0.00 173.24 172.32 2k11 s SER 18 N -4.25 5.42 0.36 2.44 0.01 -1.26 -4.91 113.70 111.51 2k11 s SER 18 Ca 0.61 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.36 2k11 s SER 18 Cb -0.13 -0.80 0.00 0.00 0.21 0.00 0.00 66.02 65.30 2k11 s SER 18 CO 0.52 -0.57 0.00 -0.81 0.41 0.00 0.00 173.24 172.79 2k11 n PRO 19 N -1.59 0.27 -2.93 12.44 -0.04 -1.26 -4.68 135.00 137.21 2k11 n PRO 19 Ca 0.03 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.38 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 -1.09 -2.57 -4.19 3.54 2.88 -1.26 -5.00 113.62 105.93 2k11 n SER 20 Ca 0.00 -0.36 -0.39 0.00 -1.33 0.00 0.00 58.87 56.79 2k11 n SER 20 Cb 0.00 -3.29 -0.10 0.00 -0.75 0.00 0.00 64.21 60.07 2k11 n SER 20 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2k11 s SER 21 N -3.69 5.47 -0.02 -3.46 1.04 -1.26 -4.85 113.70 106.92 2k11 s SER 21 Ca 0.07 -1.80 0.01 0.00 0.48 0.00 0.00 55.95 54.71 2k11 s SER 21 Cb -0.03 -1.92 -0.02 0.00 0.10 0.00 0.00 66.02 64.15 2k11 s SER 21 CO 0.44 -0.57 -0.02 -0.24 0.98 0.00 0.00 173.24 173.83 2k11 n SER 22 N 4.78 3.94 -2.89 7.02 2.88 -1.26 -3.14 113.62 124.96 2k11 n SER 22 Ca -0.07 -0.01 -0.06 0.00 -1.33 0.00 0.00 58.87 57.40 2k11 n SER 22 Cb 0.42 0.08 0.05 0.00 -0.75 0.00 0.00 64.21 64.01 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 -2.47 -1.86 -0.00 -3.46 3.41 -1.26 -4.41 113.62 103.56 2k11 n SER 23 Ca -0.04 -0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.17 2k11 n SER 23 Cb 0.55 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 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 -3.28 0.00 -0.30 6.66 -2.24 -1.26 -4.02 114.28 109.83 2k11 n THR 24 Ca 0.03 0.00 0.25 0.00 -2.27 0.00 0.00 64.05 62.06 2k11 n THR 24 Cb 0.12 -0.40 0.42 0.00 -2.10 0.00 0.00 70.33 68.38 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 -0.50 0.38 0.11 4.78 4.19 -1.26 0.14 117.16 125.01 2k11 n TYR 25 Ca 0.00 0.38 -0.09 0.00 3.31 0.00 0.00 57.90 61.50 2k11 n TYR 25 Cb 0.00 -0.76 -0.06 0.00 0.49 0.00 0.00 39.34 39.01 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 -5.02 -0.59 0.08 0.00 2.85 0.38 -0.52 115.26 112.43 2k11 n ASN 27 Ca -0.07 1.12 -0.09 0.00 -0.11 0.00 0.00 54.58 55.43 2k11 n ASN 27 Cb 0.23 -0.18 -0.06 0.00 1.24 0.00 0.00 39.78 41.01 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 -0.27 -0.61 1.20 4.20 -1.64 -3.15 115.11 114.84 2k11 h GLN 28 Ca 0.14 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.92 2k11 h GLN 28 Cb 0.30 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.07 2k11 h GLN 28 CO -0.61 0.05 -0.36 -1.33 -0.67 0.00 0.00 178.83 175.92 2k11 n MET 29 N -4.96 -0.27 -0.26 1.46 2.81 -0.31 0.24 117.12 115.84 2k11 n MET 29 Ca -0.07 1.02 0.12 0.00 -1.81 0.00 0.00 57.70 56.97 2k11 n MET 29 Cb 0.23 -1.51 0.38 0.00 -0.71 0.00 0.00 33.22 31.61 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 0.66 -0.16 0.03 2.86 -0.94 0.26 114.93 117.64 2k11 h MET 30 Ca 0.10 -0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.57 2k11 h MET 30 Cb 0.25 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2k11 h MET 30 CO -0.57 0.44 -0.46 -0.09 1.06 0.00 0.00 176.91 177.29 2k11 h ARG 31 N 0.68 0.40 0.00 1.72 2.43 0.32 -2.74 114.38 117.19 2k11 h ARG 31 Ca 0.44 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 2k11 h ARG 31 Cb 0.70 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2k11 h ARG 31 CO -0.19 0.78 -0.10 -0.09 -1.51 0.00 0.00 179.97 178.86 2k11 h ARG 32 N 0.32 0.00 -0.76 0.20 9.65 0.21 -2.12 114.38 121.89 2k11 h ARG 32 Ca 0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2k11 h ARG 32 Cb 0.94 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.52 2k11 h ARG 32 CO 0.08 0.10 0.00 0.54 2.80 0.00 0.00 179.97 183.49 2k11 n ARG 33 N -3.41 1.41 -3.17 0.20 5.12 -0.97 -4.83 116.66 111.01 2k11 n ARG 33 Ca -0.01 -0.36 -0.23 0.00 -1.93 0.00 0.00 57.85 55.32 2k11 n ARG 33 Cb 0.27 -1.48 0.03 0.00 -1.16 0.00 0.00 32.46 30.12 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 0.00 -5.42 -0.00 0.55 3.02 -0.80 -4.85 115.26 107.76 2k11 n ASN 34 Ca 0.03 -0.34 0.09 0.00 -0.03 0.00 0.00 54.58 54.33 2k11 n ASN 34 Cb 0.30 -4.40 -0.11 0.00 -0.61 0.00 0.00 39.78 34.96 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 -4.01 1.02 -0.25 3.52 2.81 -1.22 -4.33 117.12 114.67 2k11 n MET 35 Ca -0.08 -0.05 0.08 0.00 -1.81 0.00 0.00 57.70 55.85 2k11 n MET 35 Cb 0.59 -1.36 0.19 0.00 -0.71 0.00 0.00 33.22 31.93 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 -1.61 1.90 -0.05 2.03 -2.24 -1.25 -4.26 114.28 108.80 2k11 n THR 36 Ca 0.01 -1.83 -0.08 0.00 -2.27 0.00 0.00 64.05 59.89 2k11 n THR 36 Cb 0.33 -0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.44 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 1.09 -0.04 0.00 -0.78 1.08 -1.85 -3.39 115.11 111.21 2k11 h GLN 37 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k11 h GLN 37 Cb 1.14 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 2k11 h GLN 37 CO 0.11 -0.03 -0.53 0.41 -0.95 0.00 0.00 178.83 177.84 2k11 n GLY 38 N -1.24 0.00 3.47 3.46 0.00 -1.26 -5.07 105.19 104.55 2k11 n GLY 38 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.53 2.39 -0.29 1.61 1.70 -1.26 -4.96 118.95 116.60 2k11 s ARG 39 Ca 0.00 -0.78 -0.19 0.00 -0.47 0.00 0.00 55.73 54.29 2k11 s ARG 39 Cb 0.00 -2.33 -0.02 0.00 -0.57 0.00 0.00 34.95 32.04 2k11 s ARG 39 CO 0.00 0.60 0.58 0.00 -1.08 0.00 0.00 175.30 175.39 2k11 s LYS 41 N 2.47 4.14 0.00 0.00 2.47 -1.26 -4.88 119.74 122.68 2k11 s LYS 41 Ca 0.23 2.54 -0.24 0.00 -1.56 0.00 0.00 55.97 56.95 2k11 s LYS 41 Cb -0.15 -3.06 -0.18 0.00 -1.46 0.00 0.00 37.83 32.97 2k11 s LYS 41 CO 0.11 -0.66 1.30 -1.00 0.16 0.00 0.00 175.35 175.26 2k11 h PRO 42 N 5.76 0.13 -2.78 4.03 0.13 -1.96 -3.42 132.00 133.89 2k11 h PRO 42 Ca -0.45 -0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 64.56 2k11 h PRO 42 Cb 1.21 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.19 2k11 h PRO 42 CO 0.86 0.58 0.10 0.08 -0.23 0.00 0.00 178.00 179.39 2k11 s VAL 43 N -4.28 0.02 0.12 1.56 1.01 -1.26 -2.66 120.40 114.91 2k11 s VAL 43 Ca -0.15 -0.17 -0.26 0.00 0.00 0.00 0.00 61.98 61.40 2k11 s VAL 43 Cb 0.03 -1.00 0.07 0.00 0.00 0.00 0.00 36.38 35.48 2k11 s VAL 43 CO 0.70 -0.09 1.01 0.21 0.00 0.00 0.00 175.10 176.93 2k11 s ASN 44 N -2.15 -0.16 -0.05 3.32 3.84 0.16 -5.00 114.94 114.90 2k11 s ASN 44 Ca -0.04 -0.35 -0.03 0.00 0.21 0.00 0.00 52.86 52.66 2k11 s ASN 44 Cb -0.00 0.43 0.03 0.00 -0.55 0.00 0.00 41.25 41.16 2k11 s ASN 44 CO -0.04 -0.80 0.12 -0.89 -2.79 0.00 0.00 177.10 172.71 2k11 s THR 45 N -3.14 -0.03 0.68 -5.21 2.01 -1.26 -0.70 115.64 107.98 2k11 s THR 45 Ca 0.12 0.11 0.04 0.00 0.31 0.00 0.00 61.69 62.28 2k11 s THR 45 Cb -0.00 -0.20 0.13 0.00 0.01 0.00 0.00 72.50 72.44 2k11 s THR 45 CO 0.01 0.05 0.93 0.49 -0.69 0.00 0.00 174.62 175.41 2k11 n PHE 46 N 3.75 -2.64 -3.68 4.92 3.72 0.18 -4.32 117.46 119.38 2k11 n PHE 46 Ca -0.21 -1.96 -0.09 0.00 -0.05 0.00 0.00 57.45 55.14 2k11 n PHE 46 Cb 0.54 -0.66 -0.10 0.00 -0.94 0.00 0.00 39.48 38.32 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 -2.94 -0.17 -0.73 -4.37 1.01 0.26 -2.76 120.40 110.70 2k11 s VAL 47 Ca 0.65 0.09 0.12 0.00 0.00 0.00 0.00 61.98 62.84 2k11 s VAL 47 Cb -0.04 -0.70 0.62 0.00 0.00 0.00 0.00 36.38 36.26 2k11 s VAL 47 CO 0.42 0.04 1.47 1.41 0.00 0.00 0.00 175.10 178.44 2k11 n HIS 48 N 4.52 1.48 -4.51 5.22 8.25 -0.92 0.74 115.22 129.99 2k11 n HIS 48 Ca -0.20 -0.53 -0.34 0.00 -0.26 0.00 0.00 57.72 56.39 2k11 n HIS 48 Cb 0.55 -0.34 -0.10 0.00 1.12 0.00 0.00 29.99 31.21 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 -2.16 2.78 0.12 -0.41 2.56 -1.26 -4.59 118.70 115.74 2k11 s GLU 49 Ca 0.42 -0.55 -0.31 0.00 0.00 0.00 0.00 54.97 54.54 2k11 s GLU 49 Cb 0.30 -2.63 -0.08 0.00 2.00 0.00 0.00 34.13 33.73 2k11 s GLU 49 CO 0.15 0.66 1.36 -1.25 -0.56 0.00 0.00 175.26 175.62 2k11 s PRO 50 N -0.98 4.34 0.08 4.30 0.04 -1.26 -4.39 135.00 137.13 2k11 s PRO 50 Ca 0.14 2.03 -0.15 0.00 0.04 0.00 0.00 61.00 63.07 2k11 s PRO 50 Cb -0.11 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 2k11 s PRO 50 CO 0.03 -0.39 0.99 -0.11 0.04 0.00 0.00 177.00 177.56 2k11 n LEU 51 N 3.79 -0.50 -0.20 -3.56 7.94 -1.26 0.11 117.00 123.32 2k11 n LEU 51 Ca 0.10 1.11 0.15 0.00 -1.11 0.00 0.00 56.01 56.26 2k11 n LEU 51 Cb 0.43 -0.24 0.28 0.00 0.53 0.00 0.00 43.42 44.42 2k11 n LEU 51 CO 0.58 -0.82 0.57 0.55 -1.11 0.00 0.00 177.39 177.16 2k11 n VAL 52 N -4.14 -0.25 0.41 1.96 3.14 -1.26 0.13 118.33 118.31 2k11 n VAL 52 Ca 0.01 1.26 -0.19 0.00 -2.96 0.00 0.00 64.34 62.46 2k11 n VAL 52 Cb 0.12 -1.96 -0.09 0.00 -1.06 0.00 0.00 33.84 30.85 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 -0.86 -0.54 6.55 1.82 0.45 -2.65 116.42 121.18 2k11 h ASP 53 Ca 0.45 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 57.11 2k11 h ASP 53 Cb 1.11 0.22 -0.03 0.00 0.68 0.00 0.00 39.33 41.31 2k11 h ASP 53 CO -0.50 -0.61 0.30 0.58 -1.61 0.00 0.00 179.24 177.39 2k11 h VAL 54 N -1.01 1.18 -0.45 2.25 2.07 0.11 -2.74 116.25 117.65 2k11 h VAL 54 Ca -0.10 -0.46 0.09 0.00 0.82 0.00 0.00 66.70 67.05 2k11 h VAL 54 Cb 0.78 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 2k11 h VAL 54 CO 0.17 0.20 -0.03 1.56 0.02 0.00 0.00 177.57 179.49 2k11 h GLN 55 N 0.79 0.08 -1.06 1.57 4.20 -0.54 0.70 115.11 120.84 2k11 h GLN 55 Ca 0.20 -0.00 0.30 0.00 0.06 0.00 0.00 58.65 59.20 2k11 h GLN 55 Cb 0.04 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.74 2k11 h GLN 55 CO -0.03 0.05 0.74 -0.91 -0.67 0.00 0.00 178.83 178.01 2k11 h ASN 56 N 0.08 0.14 -0.82 1.46 2.35 -1.15 0.19 115.58 117.83 2k11 h ASN 56 Ca 0.22 0.02 0.07 0.00 -0.55 0.00 0.00 56.30 56.06 2k11 h ASN 56 Cb 0.33 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.64 2k11 h ASN 56 CO -0.40 0.03 0.50 0.58 -1.65 0.00 0.00 177.43 176.49 2k11 h VAL 57 N 0.12 1.01 0.00 2.81 2.07 -0.94 0.11 116.25 121.43 2k11 h VAL 57 Ca 0.53 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.74 2k11 h VAL 57 Cb 1.88 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2k11 h VAL 57 CO -0.09 0.16 0.02 0.00 0.02 0.00 0.00 177.57 177.69 2k11 n PHE 59 N -1.72 0.05 -0.01 0.00 3.72 0.30 -4.80 117.46 115.00 2k11 n PHE 59 Ca -0.00 -0.21 -0.01 0.00 -0.05 0.00 0.00 57.45 57.17 2k11 n PHE 59 Cb 0.04 -0.02 -0.00 0.00 -0.94 0.00 0.00 39.48 38.55 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 -0.02 0.06 -4.46 -1.08 1.13 0.92 -5.08 117.38 108.85 2k11 n GLN 60 Ca 0.02 0.08 -0.23 0.00 -1.94 0.00 0.00 57.00 54.93 2k11 n GLN 60 Cb 0.16 -0.67 -0.09 0.00 0.11 0.00 0.00 30.24 29.75 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 -1.22 1.76 0.05 -1.09 2.12 -1.09 -5.10 118.70 114.12 2k11 s GLU 61 Ca -0.03 -2.03 0.01 0.00 0.36 0.00 0.00 54.97 53.28 2k11 s GLU 61 Cb 0.00 -0.62 -0.03 0.00 0.26 0.00 0.00 34.13 33.75 2k11 s GLU 61 CO 0.05 -0.36 -0.06 0.21 -0.54 0.00 0.00 175.26 174.55 2k11 s LYS 62 N -3.81 0.53 0.19 4.30 2.36 -1.26 -4.43 119.74 117.62 2k11 s LYS 62 Ca 0.30 -0.84 -0.01 0.00 -2.55 0.00 0.00 55.97 52.88 2k11 s LYS 62 Cb 0.05 -0.16 -0.04 0.00 -1.05 0.00 0.00 37.83 36.63 2k11 s LYS 62 CO 0.15 0.01 0.10 0.14 1.55 0.00 0.00 175.35 177.30 2k11 s VAL 63 N -1.87 0.14 0.49 4.02 -7.23 -0.15 -4.78 120.40 111.02 2k11 s VAL 63 Ca -0.07 -1.98 0.05 0.00 -1.81 0.00 0.00 61.98 58.17 2k11 s VAL 63 Cb -0.07 -2.40 0.02 0.00 0.56 0.00 0.00 36.38 34.49 2k11 s VAL 63 CO -0.01 -0.12 0.68 -0.89 -0.31 0.00 0.00 175.10 174.44 2k11 s THR 64 N -4.05 2.81 0.23 5.32 2.01 -1.26 -4.11 115.64 116.59 2k11 s THR 64 Ca 0.35 -0.83 -0.06 0.00 0.31 0.00 0.00 61.69 61.46 2k11 s THR 64 Cb 0.07 -2.97 -0.02 0.00 0.01 0.00 0.00 72.50 69.58 2k11 s THR 64 CO 0.10 0.00 0.30 0.00 -0.69 0.00 0.00 174.62 174.32 2k11 h LYS 66 N 2.42 -0.17 0.00 0.00 1.57 -2.00 1.32 116.57 119.71 2k11 h LYS 66 Ca -0.31 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2k11 h LYS 66 Cb 1.25 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.60 2k11 h LYS 66 CO 0.44 -0.11 -0.00 -2.95 -0.57 0.00 0.00 179.45 176.26 2k11 h ASN 67 N -0.17 0.00 0.00 0.86 7.08 -2.05 -3.45 115.58 117.85 2k11 h ASN 67 Ca 0.16 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.38 2k11 h ASN 67 Cb 0.52 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.76 2k11 h ASN 67 CO -0.78 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.18 2k11 n GLY 68 N -1.04 0.46 3.99 9.14 0.00 0.45 -5.06 105.19 113.14 2k11 n GLY 68 Ca -0.03 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.29 1.92 -0.38 1.61 -0.21 -1.26 -4.80 119.66 113.25 2k11 s GLN 69 Ca 0.00 -1.09 0.06 0.00 0.02 0.00 0.00 55.36 54.35 2k11 s GLN 69 Cb 0.00 -2.39 0.51 0.00 1.00 0.00 0.00 33.01 32.13 2k11 s GLN 69 CO 0.00 -1.24 1.57 0.41 -2.12 0.00 0.00 175.29 173.91 2k11 n GLY 70 N -2.67 5.33 1.03 3.09 0.00 -1.26 -3.92 105.19 106.78 2k11 n GLY 70 Ca 0.14 -1.68 0.12 0.00 0.00 0.00 0.00 46.02 44.59 2k11 n GLY 70 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k11 n ASN 71 N -1.01 3.08 -4.64 1.61 6.94 -1.26 -4.92 115.26 115.05 2k11 n ASN 71 Ca 0.44 -1.94 -0.30 0.00 -0.02 0.00 0.00 54.58 52.76 2k11 n ASN 71 Cb 1.04 -0.22 -0.09 0.00 -2.36 0.00 0.00 39.78 38.15 2k11 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k11 s TYR 73 N -1.25 -0.23 -0.08 0.00 1.51 -0.97 -0.98 117.35 115.35 2k11 s TYR 73 Ca 0.24 -0.08 0.02 0.00 -1.01 0.00 0.00 57.07 56.24 2k11 s TYR 73 Cb -0.11 0.36 -0.02 0.00 -0.11 0.00 0.00 41.96 42.07 2k11 s TYR 73 CO 0.16 -0.81 -0.14 0.15 -1.11 0.00 0.00 175.55 173.80 2k11 s LYS 74 N -3.82 2.84 1.10 -0.62 1.02 -1.26 -2.53 119.74 116.47 2k11 s LYS 74 Ca 0.05 -0.70 -0.18 0.00 0.02 0.00 0.00 55.97 55.16 2k11 s LYS 74 Cb 0.00 -2.47 0.10 0.00 -0.52 0.00 0.00 37.83 34.94 2k11 s LYS 74 CO -0.09 0.46 0.04 -1.13 -0.92 0.00 0.00 175.35 173.71 2k11 n SER 75 N 2.79 -2.35 -0.04 2.83 3.41 -0.21 -4.53 113.62 115.51 2k11 n SER 75 Ca -0.18 -0.07 -0.20 0.00 -0.26 0.00 0.00 58.87 58.17 2k11 n SER 75 Cb 0.52 -0.98 -0.13 0.00 -0.26 0.00 0.00 64.21 63.36 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 -2.00 0.18 -3.56 4.04 4.21 -1.93 -3.46 115.58 113.04 2k11 h ASN 76 Ca -0.52 -0.80 -0.54 0.00 1.21 0.00 0.00 56.30 55.65 2k11 h ASN 76 Cb 1.35 -0.06 -0.13 0.00 -1.12 0.00 0.00 38.32 38.36 2k11 h ASN 76 CO 0.38 1.41 -0.51 -0.94 -1.29 0.00 0.00 177.43 176.47 2k11 s SER 77 N -6.77 2.59 0.21 5.81 1.04 -1.26 -4.86 113.70 110.46 2k11 s SER 77 Ca -0.22 -1.68 -0.32 0.00 0.48 0.00 0.00 55.95 54.21 2k11 s SER 77 Cb 0.03 0.51 -0.13 0.00 0.10 0.00 0.00 66.02 66.53 2k11 s SER 77 CO 0.70 -0.95 1.64 -1.54 0.98 0.00 0.00 173.24 174.07 2k11 n SER 78 N -1.32 3.64 -4.25 7.02 3.41 -1.26 -4.25 113.62 116.62 2k11 n SER 78 Ca -0.04 1.09 -0.33 0.00 -0.26 0.00 0.00 58.87 59.33 2k11 n SER 78 Cb 0.65 -1.53 -0.16 0.00 -0.26 0.00 0.00 64.21 62.91 2k11 n SER 78 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2k11 s MET 79 N 0.69 3.16 0.33 4.33 -1.94 0.17 -4.71 119.30 121.34 2k11 s MET 79 Ca 0.74 -0.78 -0.29 0.00 -1.71 0.00 0.00 55.69 53.64 2k11 s MET 79 Cb -0.56 -2.55 -0.11 0.00 2.01 0.00 0.00 34.83 33.62 2k11 s MET 79 CO 0.38 0.04 1.52 0.72 -0.01 0.00 0.00 175.02 177.67 2k11 n HIS 80 N 3.96 2.86 -3.88 -0.03 8.25 -1.26 -1.62 115.22 123.50 2k11 n HIS 80 Ca -0.19 0.37 -0.08 0.00 -0.26 0.00 0.00 57.72 57.55 2k11 n HIS 80 Cb 0.52 -2.55 -0.04 0.00 1.12 0.00 0.00 29.99 29.04 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 -0.58 0.00 -0.23 1.59 -0.00 0.47 -2.16 121.20 120.29 2k11 s ILE 81 Ca 0.59 -1.10 -0.02 0.00 -0.00 0.00 0.00 60.65 60.12 2k11 s ILE 81 Cb -0.50 -1.99 0.07 0.00 -0.00 0.00 0.00 42.46 40.04 2k11 s ILE 81 CO 0.56 -0.02 0.04 -0.89 -0.00 0.00 0.00 174.94 174.63 2k11 s THR 82 N -3.95 0.73 0.35 8.37 2.01 -1.11 -2.32 115.64 119.73 2k11 s THR 82 Ca 0.15 -0.84 -0.28 0.00 0.31 0.00 0.00 61.69 61.03 2k11 s THR 82 Cb -0.03 -1.28 -0.10 0.00 0.01 0.00 0.00 72.50 71.10 2k11 s THR 82 CO 0.06 -0.30 1.36 -0.62 -0.69 0.00 0.00 174.62 174.43 2k11 s ASP 83 N 1.74 6.60 -0.27 3.53 -1.08 -0.65 -0.65 116.67 125.90 2k11 s ASP 83 Ca 0.01 2.80 -0.04 0.00 -0.52 0.00 0.00 52.55 54.79 2k11 s ASP 83 Cb -0.17 -2.65 0.09 0.00 -1.46 0.00 0.00 42.92 38.72 2k11 s ASP 83 CO -0.12 -0.67 0.12 0.00 0.52 0.00 0.00 175.17 175.03 2k11 s ARG 85 N 2.11 0.89 0.28 0.00 3.52 -1.13 0.38 118.95 125.00 2k11 s ARG 85 Ca 0.08 -0.49 -0.29 0.00 -0.13 0.00 0.00 55.73 54.89 2k11 s ARG 85 Cb -0.16 -0.86 -0.14 0.00 -1.56 0.00 0.00 34.95 32.23 2k11 s ARG 85 CO -0.31 0.23 1.16 1.28 -0.81 0.00 0.00 175.30 176.85 2k11 n LEU 86 N 2.55 2.43 -4.29 -0.88 4.77 -1.09 0.28 117.00 120.77 2k11 n LEU 86 Ca -0.15 1.18 -0.32 0.00 -0.03 0.00 0.00 56.01 56.68 2k11 n LEU 86 Cb 0.56 -1.35 -0.16 0.00 -2.33 0.00 0.00 43.42 40.14 2k11 n LEU 86 CO 0.24 -1.01 -0.52 0.42 -1.33 0.00 0.00 177.39 175.19 2k11 s THR 87 N -0.81 2.43 -0.77 -5.08 -4.23 0.72 -4.69 115.64 103.20 2k11 s THR 87 Ca 0.61 -0.90 -0.01 0.00 -1.18 0.00 0.00 61.69 60.21 2k11 s THR 87 Cb -0.68 -1.95 0.00 0.00 1.34 0.00 0.00 72.50 71.21 2k11 s THR 87 CO 0.58 0.55 0.65 -3.20 -0.54 0.00 0.00 174.62 172.66 2k11 n ASN 88 N 3.34 -2.62 -2.29 3.99 2.85 -1.26 -2.82 115.26 116.45 2k11 n ASN 88 Ca -0.18 -0.37 -0.02 0.00 -0.11 0.00 0.00 54.58 53.89 2k11 n ASN 88 Cb 0.53 -3.36 -0.00 0.00 1.24 0.00 0.00 39.78 38.18 2k11 n ASN 88 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k11 n GLY 89 N -1.16 -0.40 3.63 8.20 0.00 -1.26 -4.78 105.19 109.42 2k11 n GLY 89 Ca -0.14 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.22 2.33 -4.32 1.61 7.64 -1.13 -4.98 113.62 113.54 2k11 n SER 90 Ca -0.02 1.12 -0.20 0.00 1.01 0.00 0.00 58.87 60.77 2k11 n SER 90 Cb 0.46 -1.33 -0.11 0.00 -1.01 0.00 0.00 64.21 62.22 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 0.28 1.25 0.31 1.43 6.06 -0.39 -4.76 118.95 123.14 2k11 s ARG 91 Ca 0.77 -1.44 -0.28 0.00 -2.50 0.00 0.00 55.73 52.28 2k11 s ARG 91 Cb -0.78 -1.19 -0.13 0.00 0.06 0.00 0.00 34.95 32.92 2k11 s ARG 91 CO 0.45 0.22 1.11 0.98 -2.50 0.00 0.00 175.30 175.56 2k11 n TYR 92 N 0.11 1.61 0.36 5.12 4.19 -1.26 0.26 117.16 127.55 2k11 n TYR 92 Ca -0.12 0.65 0.13 0.00 3.31 0.00 0.00 57.90 61.87 2k11 n TYR 92 Cb 0.58 -2.31 0.55 0.00 0.49 0.00 0.00 39.34 38.66 2k11 n TYR 92 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 2k11 h PRO 93 N 2.16 0.00 -5.86 2.98 0.13 -1.95 -3.49 132.00 125.96 2k11 h PRO 93 Ca -0.42 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.15 2k11 h PRO 93 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 2k11 h PRO 93 CO 0.61 0.00 1.53 0.09 -0.23 0.00 0.00 178.00 180.00 2k11 n ASN 94 N -2.47 2.81 -0.23 1.44 3.02 0.72 -4.78 115.26 115.77 2k11 n ASN 94 Ca 0.02 0.02 0.08 0.00 -0.03 0.00 0.00 54.58 54.67 2k11 n ASN 94 Cb 0.24 -1.52 0.14 0.00 -0.61 0.00 0.00 39.78 38.04 2k11 n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k11 n ALA 96 N -1.04 0.49 -2.83 0.00 0.00 -1.26 -4.58 120.51 111.30 2k11 n ALA 96 Ca 0.14 -0.37 -0.23 0.00 0.00 0.00 0.00 53.44 52.98 2k11 n ALA 96 Cb 0.61 -2.51 0.09 0.00 0.00 0.00 0.00 19.45 17.65 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 11.44 -2.62 -3.89 0.00 4.01 -1.26 -0.20 117.16 124.64 2k11 n TYR 97 Ca 0.55 -1.90 -0.35 0.00 -0.16 0.00 0.00 57.90 56.05 2k11 n TYR 97 Cb 0.17 -0.62 -0.14 0.00 -0.31 0.00 0.00 39.34 38.44 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 -4.79 2.83 -0.61 -0.72 3.52 0.80 -4.41 118.95 115.58 2k11 s ARG 98 Ca 0.62 -1.00 -0.22 0.00 -0.13 0.00 0.00 55.73 55.00 2k11 s ARG 98 Cb -0.04 -3.13 0.07 0.00 -1.56 0.00 0.00 34.95 30.28 2k11 s ARG 98 CO 0.40 -0.45 0.89 0.99 -0.81 0.00 0.00 175.30 176.32 2k11 s THR 99 N 1.36 4.45 -0.45 4.11 2.01 -1.24 -2.84 115.64 123.04 2k11 s THR 99 Ca -0.00 -0.29 -0.07 0.00 0.31 0.00 0.00 61.69 61.64 2k11 s THR 99 Cb -0.17 -4.59 0.12 0.00 0.01 0.00 0.00 72.50 67.87 2k11 s THR 99 CO -0.02 -1.27 0.29 -0.55 -0.69 0.00 0.00 174.62 172.38 2k11 s SER 100 N 3.36 5.54 0.09 3.53 0.15 -0.53 -4.43 113.70 121.42 2k11 s SER 100 Ca 0.22 -1.95 -0.31 0.00 0.70 0.00 0.00 55.95 54.61 2k11 s SER 100 Cb -0.17 -1.94 -0.07 0.00 -1.71 0.00 0.00 66.02 62.12 2k11 s SER 100 CO 0.12 -0.64 1.37 -2.16 1.20 0.00 0.00 173.24 173.14 2k11 s PRO 101 N 1.28 4.33 0.14 5.44 0.04 -1.19 -1.63 135.00 143.41 2k11 s PRO 101 Ca 0.07 2.03 -0.25 0.00 0.04 0.00 0.00 61.00 62.89 2k11 s PRO 101 Cb -0.25 -3.31 0.07 0.00 0.04 0.00 0.00 34.50 31.05 2k11 s PRO 101 CO -0.02 -0.44 1.01 0.15 0.04 0.00 0.00 177.00 177.74 2k11 s LYS 102 N 1.30 1.14 -0.26 4.56 3.01 -0.98 -5.00 119.74 123.50 2k11 s LYS 102 Ca 0.64 -0.65 -0.01 0.00 -1.01 0.00 0.00 55.97 54.94 2k11 s LYS 102 Cb -0.35 0.37 0.14 0.00 -1.01 0.00 0.00 37.83 36.98 2k11 s LYS 102 CO 0.30 -0.52 0.34 -1.83 0.51 0.00 0.00 175.35 174.14 2k11 s GLU 103 N -3.00 0.34 0.28 1.68 -1.05 -1.26 -0.40 118.70 115.29 2k11 s GLU 103 Ca 0.14 0.18 -0.08 0.00 -0.15 0.00 0.00 54.97 55.06 2k11 s GLU 103 Cb -0.01 -0.59 -0.00 0.00 -0.44 0.00 0.00 34.13 33.09 2k11 s GLU 103 CO 0.02 -0.86 0.45 0.50 0.95 0.00 0.00 175.26 176.33 2k11 s ARG 104 N 2.46 1.67 1.02 -4.83 6.06 -0.64 -4.52 118.95 120.17 2k11 s ARG 104 Ca 0.10 -1.48 -0.15 0.00 -2.50 0.00 0.00 55.73 51.70 2k11 s ARG 104 Cb -0.14 0.45 0.06 0.00 0.06 0.00 0.00 34.95 35.37 2k11 s ARG 104 CO -0.24 -0.69 0.22 0.72 -2.50 0.00 0.00 175.30 172.81 2k11 n HIS 105 N -0.44 -1.52 -3.72 5.12 8.25 -1.19 -0.65 115.22 121.07 2k11 n HIS 105 Ca -0.01 0.19 -0.11 0.00 -0.26 0.00 0.00 57.72 57.53 2k11 n HIS 105 Cb 0.62 -1.69 -0.07 0.00 1.12 0.00 0.00 29.99 29.97 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 -2.33 0.08 -0.19 1.59 -4.36 -1.26 -0.85 121.20 113.88 2k11 s ILE 106 Ca 0.56 -0.64 0.01 0.00 -0.26 0.00 0.00 60.65 60.32 2k11 s ILE 106 Cb -0.17 -1.01 0.03 0.00 1.25 0.00 0.00 42.46 42.56 2k11 s ILE 106 CO 0.67 -0.35 -0.16 -0.63 0.24 0.00 0.00 174.94 174.71 2k11 s ILE 107 N -2.83 1.89 0.22 8.37 1.01 -0.08 -1.05 121.20 128.73 2k11 s ILE 107 Ca -0.03 -0.97 0.09 0.00 0.00 0.00 0.00 60.65 59.75 2k11 s ILE 107 Cb 0.00 -1.80 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 2k11 s ILE 107 CO -0.05 0.39 -0.17 0.68 0.00 0.00 0.00 174.94 175.79 2k11 s VAL 108 N 1.33 1.97 -0.43 2.92 -7.23 -1.05 -0.77 120.40 117.15 2k11 s VAL 108 Ca 0.02 -2.21 -0.07 0.00 -1.81 0.00 0.00 61.98 57.91 2k11 s VAL 108 Cb -0.14 -2.08 0.10 0.00 0.56 0.00 0.00 36.38 34.81 2k11 s VAL 108 CO -0.11 -0.48 0.26 0.00 -0.31 0.00 0.00 175.10 174.46 2k11 s ALA 109 N -2.65 3.26 0.19 1.32 0.00 -0.46 -2.29 121.76 121.13 2k11 s ALA 109 Ca 0.23 -2.38 -0.03 0.00 0.00 0.00 0.00 51.96 49.79 2k11 s ALA 109 Cb -0.03 -2.60 -0.05 0.00 0.00 0.00 0.00 23.12 20.44 2k11 s ALA 109 CO 0.09 -1.76 0.40 0.00 0.00 0.00 0.00 175.76 174.49 2k11 s GLU 111 N -3.10 1.33 2.63 0.00 2.12 -0.20 -4.74 118.70 116.74 2k11 s GLU 111 Ca 0.40 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.88 2k11 s GLU 111 Cb -0.11 0.38 0.00 0.00 0.26 0.00 0.00 34.13 34.66 2k11 s GLU 111 CO 0.28 -0.62 0.00 0.41 -0.54 0.00 0.00 175.26 174.78 2k11 n GLY 112 N -0.67 -0.19 3.40 -1.50 0.00 -1.26 -3.58 105.19 101.39 2k11 n GLY 112 Ca -0.03 -1.21 -0.07 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.60 1.14 1.61 0.15 -1.26 -4.07 113.70 106.68 2k11 s SER 113 Ca 0.00 1.18 -0.17 0.00 0.70 0.00 0.00 55.95 57.66 2k11 s SER 113 Cb 0.00 1.51 0.26 0.00 -1.71 0.00 0.00 66.02 66.08 2k11 s SER 113 CO 0.00 -0.22 1.10 -2.16 1.20 0.00 0.00 173.24 173.16 2k11 s PRO 114 N 2.40 -0.75 -0.58 5.44 0.04 -1.26 -5.03 135.00 135.27 2k11 s PRO 114 Ca -0.05 0.10 -0.27 0.00 0.04 0.00 0.00 61.00 60.82 2k11 s PRO 114 Cb -0.11 -1.64 -0.01 0.00 0.04 0.00 0.00 34.50 32.78 2k11 s PRO 114 CO -0.15 -3.43 1.75 -0.47 0.04 0.00 0.00 177.00 174.74 2k11 s TYR 115 N -3.00 1.81 0.09 0.56 5.04 -1.26 -4.81 117.35 115.79 2k11 s TYR 115 Ca 0.69 0.67 0.03 0.00 -2.44 0.00 0.00 57.07 56.02 2k11 s TYR 115 Cb -0.12 -4.17 -0.03 0.00 0.35 0.00 0.00 41.96 37.98 2k11 s TYR 115 CO 0.57 -2.33 -0.10 0.14 -1.34 0.00 0.00 175.55 172.49 2k11 s VAL 116 N 8.14 0.86 -0.20 3.14 -7.23 -1.24 -4.88 120.40 119.00 2k11 s VAL 116 Ca 0.65 -1.58 -0.29 0.00 -1.81 0.00 0.00 61.98 58.94 2k11 s VAL 116 Cb -0.13 -1.28 -0.03 0.00 0.56 0.00 0.00 36.38 35.50 2k11 s VAL 116 CO 0.23 -0.56 1.59 -2.16 -0.31 0.00 0.00 175.10 173.89 2k11 s PRO 117 N -2.70 3.87 -0.06 4.82 0.04 -1.26 -1.03 135.00 138.67 2k11 s PRO 117 Ca 0.04 1.72 0.12 0.00 0.04 0.00 0.00 61.00 62.91 2k11 s PRO 117 Cb -0.03 -4.01 0.33 0.00 0.04 0.00 0.00 34.50 30.83 2k11 s PRO 117 CO -0.00 -1.20 1.26 1.33 0.04 0.00 0.00 177.00 178.42 2k11 n VAL 118 N 6.23 1.45 -3.56 -0.36 0.24 -0.79 -4.76 118.33 116.77 2k11 n VAL 118 Ca 0.18 -1.36 -0.10 0.00 -2.04 0.00 0.00 64.34 61.02 2k11 n VAL 118 Cb 0.45 0.22 -0.05 0.00 -1.47 0.00 0.00 33.84 32.99 2k11 n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2k11 s HIS 119 N -1.69 -0.37 -0.08 6.34 5.65 -1.15 -4.63 115.29 119.36 2k11 s HIS 119 Ca 0.26 0.56 0.02 0.00 0.25 0.00 0.00 55.06 56.15 2k11 s HIS 119 Cb 0.18 0.47 -0.02 0.00 -1.18 0.00 0.00 32.58 32.02 2k11 s HIS 119 CO 0.10 -0.38 -0.13 0.12 -0.65 0.00 0.00 174.74 173.80 2k11 s PHE 120 N -1.50 2.78 0.00 3.88 2.19 -1.26 -1.35 117.98 122.72 2k11 s PHE 120 Ca -0.01 -0.32 0.00 0.00 0.33 0.00 0.00 56.93 56.94 2k11 s PHE 120 Cb -0.01 -1.73 0.00 0.00 -1.31 0.00 0.00 43.02 39.98 2k11 s PHE 120 CO -0.00 0.05 0.00 -3.47 1.83 0.00 0.00 175.22 173.63 2k11 n ASP 121 N 2.78 0.00 -3.56 6.13 2.03 0.05 -4.92 116.55 119.05 2k11 n ASP 121 Ca -0.18 0.03 -0.07 0.00 0.52 0.00 0.00 54.79 55.10 2k11 n ASP 121 Cb 0.52 -0.32 -0.03 0.00 -0.72 0.00 0.00 41.12 40.58 2k11 n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k11 s ALA 122 N -3.68 -1.97 -0.03 -1.67 0.00 -1.12 -5.02 121.76 108.28 2k11 s ALA 122 Ca 0.00 1.42 -0.25 0.00 0.00 0.00 0.00 51.96 53.13 2k11 s ALA 122 Cb 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 2k11 s ALA 122 CO 0.00 -0.55 0.78 -1.54 0.00 0.00 0.00 175.76 174.45 2k11 s SER 123 N -2.01 7.13 0.57 0.00 1.04 -1.26 -0.90 113.70 118.27 2k11 s SER 123 Ca 0.06 1.36 0.09 0.00 0.48 0.00 0.00 55.95 57.94 2k11 s SER 123 Cb -0.01 -2.46 0.09 0.00 0.10 0.00 0.00 66.02 63.74 2k11 s SER 123 CO -0.05 -0.12 0.79 0.68 0.98 0.00 0.00 173.24 175.52 2k11 s VAL 124 N 0.65 2.18 -0.18 5.02 -7.23 -0.03 -4.92 120.40 115.89 2k11 s VAL 124 Ca 0.41 -0.98 0.12 0.00 -1.81 0.00 0.00 61.98 59.71 2k11 s VAL 124 Cb -0.19 -2.20 -0.19 0.00 0.56 0.00 0.00 36.38 34.36 2k11 s VAL 124 CO 0.21 0.00 -0.01 -0.62 -0.31 0.00 0.00 175.10 174.38 2k11 n GLU 125 N -2.25 1.02 -3.60 4.82 1.02 -1.26 -3.19 120.64 117.19 2k11 n GLU 125 Ca 0.15 0.03 -0.08 0.00 -0.02 0.00 0.00 57.16 57.24 2k11 n GLU 125 Cb 0.61 -1.44 -0.02 0.00 -0.02 0.00 0.00 31.44 30.57 2k11 n GLU 125 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2k11 s ASP 126 N -5.39 -0.36 0.00 1.62 2.15 -1.26 -4.55 116.67 108.88 2k11 s ASP 126 Ca -0.14 -0.19 0.12 0.00 0.43 0.00 0.00 52.55 52.77 2k11 s ASP 126 Cb 0.06 0.52 0.73 0.00 -0.30 0.00 0.00 42.92 43.93 2k11 s ASP 126 CO 0.65 -0.89 1.16 -0.24 -0.17 0.00 0.00 175.17 175.68