#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k11 s GLU 2 N 0.00 4.40 0.29 1.97 2.12 -1.26 -5.02 118.70 121.20 2k11 s GLU 2 Ca 0.00 2.10 -0.03 0.00 0.36 0.00 0.00 54.97 57.40 2k11 s GLU 2 Cb 0.00 -3.14 -0.01 0.00 0.26 0.00 0.00 34.13 31.23 2k11 s GLU 2 CO 0.00 -0.18 0.38 -1.12 -0.54 0.00 0.00 175.26 173.80 2k11 s SER 3 N -0.10 0.66 -0.00 -1.70 0.01 -1.26 -5.09 113.70 106.22 2k11 s SER 3 Ca 0.53 -1.39 -0.04 0.00 1.31 0.00 0.00 55.95 56.36 2k11 s SER 3 Cb -0.37 0.58 -0.02 0.00 0.21 0.00 0.00 66.02 66.41 2k11 s SER 3 CO 0.44 -1.15 0.56 -0.09 0.41 0.00 0.00 173.24 173.41 2k11 h ARG 4 N 2.24 -0.14 -0.73 12.44 9.65 -2.02 -3.26 114.38 132.57 2k11 h ARG 4 Ca -0.29 0.01 0.30 0.00 -1.10 0.00 0.00 59.98 58.90 2k11 h ARG 4 Cb 1.24 0.03 -0.13 0.00 -1.39 0.00 0.00 29.97 29.72 2k11 h ARG 4 CO 0.40 -0.09 0.36 0.00 2.80 0.00 0.00 179.97 183.45 2k11 n ALA 5 N -2.15 0.72 -0.17 2.80 0.00 -1.26 0.15 120.51 120.59 2k11 n ALA 5 Ca -0.02 0.75 -0.02 0.00 0.00 0.00 0.00 53.44 54.15 2k11 n ALA 5 Cb 0.06 -0.73 0.05 0.00 0.00 0.00 0.00 19.45 18.83 2k11 n ALA 5 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2k11 h LYS 6 N 0.00 0.02 -0.96 0.00 3.11 -1.91 0.55 116.57 117.39 2k11 h LYS 6 Ca 0.60 -0.00 0.20 0.00 -2.81 0.00 0.00 60.65 58.65 2k11 h LYS 6 Cb 1.58 -0.01 -0.11 0.00 -1.00 0.00 0.00 32.23 32.69 2k11 h LYS 6 CO -0.57 0.02 0.54 -0.22 -2.81 0.00 0.00 179.45 176.40 2k11 h LYS 7 N 0.03 0.61 -0.56 1.90 3.64 0.12 0.19 116.57 122.49 2k11 h LYS 7 Ca 0.26 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.52 2k11 h LYS 7 Cb 0.40 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 2k11 h LYS 7 CO -0.52 0.40 0.02 0.35 -2.27 0.00 0.00 179.45 177.43 2k11 h PHE 8 N 0.63 1.02 0.52 1.91 3.57 -0.94 -1.89 116.94 121.75 2k11 h PHE 8 Ca 0.57 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.90 2k11 h PHE 8 Cb 0.97 -0.27 0.01 0.00 2.79 0.00 0.00 35.95 39.44 2k11 h PHE 8 CO -0.04 0.90 -0.25 1.96 -2.23 0.00 0.00 178.31 178.65 2k11 h GLN 9 N 0.88 -0.67 0.00 1.11 7.50 -0.06 -1.73 115.11 122.14 2k11 h GLN 9 Ca 0.17 0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.36 2k11 h GLN 9 Cb 0.48 0.15 0.00 0.00 0.05 0.00 0.00 27.48 28.17 2k11 h GLN 9 CO 0.02 -0.45 0.06 2.89 -1.50 0.00 0.00 178.83 179.85 2k11 n ARG 10 N -4.46 0.05 -0.01 1.46 1.85 -0.37 -0.48 116.66 114.70 2k11 n ARG 10 Ca -0.09 0.51 -0.00 0.00 -1.00 0.00 0.00 57.85 57.27 2k11 n ARG 10 Cb 0.27 -1.71 -0.00 0.00 -1.05 0.00 0.00 32.46 29.97 2k11 n ARG 10 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 2k11 h GLN 11 N 0.00 0.00 0.00 2.89 1.08 -1.09 -3.45 115.11 114.53 2k11 h GLN 11 Ca 0.00 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.91 2k11 h GLN 11 Cb 0.12 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.51 2k11 h GLN 11 CO 0.00 0.00 -1.85 0.72 -0.95 0.00 0.00 178.83 176.75 2k11 n HIS 12 N -2.52 0.20 -1.51 2.96 8.25 -0.67 -4.85 115.22 117.08 2k11 n HIS 12 Ca -0.00 0.09 -0.42 0.00 -0.26 0.00 0.00 57.72 57.12 2k11 n HIS 12 Cb 0.02 -0.87 -0.07 0.00 1.12 0.00 0.00 29.99 30.18 2k11 n HIS 12 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2k11 n MET 13 N -4.35 0.82 -0.11 -0.41 2.81 0.37 -1.26 117.12 114.98 2k11 n MET 13 Ca -0.38 0.11 0.07 0.00 -1.81 0.00 0.00 57.70 55.68 2k11 n MET 13 Cb 0.73 -2.63 0.12 0.00 -0.71 0.00 0.00 33.22 30.73 2k11 n MET 13 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2k11 n ASP 14 N 12.50 2.53 -0.23 7.83 5.68 0.16 -4.23 116.55 140.79 2k11 n ASP 14 Ca 0.46 -2.71 0.11 0.00 -0.50 0.00 0.00 54.79 52.14 2k11 n ASP 14 Cb 0.31 -0.32 0.21 0.00 -1.14 0.00 0.00 41.12 40.19 2k11 n ASP 14 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2k11 n SER 15 N -0.91 -0.05 -0.32 -1.12 3.41 -0.34 0.87 113.62 115.17 2k11 n SER 15 Ca 0.12 1.12 0.05 0.00 -0.26 0.00 0.00 58.87 59.91 2k11 n SER 15 Cb 0.56 -0.42 0.12 0.00 -0.26 0.00 0.00 64.21 64.21 2k11 n SER 15 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2k11 n ASP 16 N -4.84 -0.32 -4.75 4.04 8.00 -1.26 -4.41 116.55 113.01 2k11 n ASP 16 Ca 0.17 1.51 -0.29 0.00 0.71 0.00 0.00 54.79 56.88 2k11 n ASP 16 Cb 0.55 -0.45 0.13 0.00 -0.02 0.00 0.00 41.12 41.33 2k11 n ASP 16 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2k11 s SER 17 N -5.23 3.58 0.32 -2.24 0.01 0.25 -5.06 113.70 105.33 2k11 s SER 17 Ca -0.13 1.25 0.02 0.00 1.31 0.00 0.00 55.95 58.40 2k11 s SER 17 Cb 0.24 -1.91 -0.03 0.00 0.21 0.00 0.00 66.02 64.52 2k11 s SER 17 CO 0.68 -2.54 0.50 -0.44 0.41 0.00 0.00 173.24 171.85 2k11 s SER 18 N -3.71 6.25 0.67 2.44 0.01 -1.26 -4.97 113.70 113.13 2k11 s SER 18 Ca 0.63 0.29 0.00 0.00 1.31 0.00 0.00 55.95 58.18 2k11 s SER 18 Cb -0.16 -1.90 0.00 0.00 0.21 0.00 0.00 66.02 64.17 2k11 s SER 18 CO 0.55 -0.27 0.00 -0.81 0.41 0.00 0.00 173.24 173.13 2k11 n PRO 19 N -1.69 -0.36 -3.32 12.44 -0.04 -1.26 -4.59 135.00 136.18 2k11 n PRO 19 Ca -0.05 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.24 2k11 n PRO 19 Cb 0.57 0.00 0.08 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 -2.02 -2.81 -4.40 3.54 2.88 -1.26 -4.96 113.62 104.59 2k11 n SER 20 Ca 0.00 -0.54 -0.44 0.00 -1.33 0.00 0.00 58.87 56.56 2k11 n SER 20 Cb 0.00 -4.64 -0.05 0.00 -0.75 0.00 0.00 64.21 58.77 2k11 n SER 20 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2k11 s SER 21 N -4.03 6.20 -0.03 -3.46 0.01 -1.26 -4.79 113.70 106.34 2k11 s SER 21 Ca 0.10 -1.23 0.01 0.00 1.31 0.00 0.00 55.95 56.14 2k11 s SER 21 Cb -0.05 -2.30 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 2k11 s SER 21 CO 0.65 -1.05 -0.02 -1.54 0.41 0.00 0.00 173.24 171.70 2k11 n SER 22 N 6.32 3.93 -2.84 2.44 3.41 -1.26 -3.58 113.62 122.05 2k11 n SER 22 Ca -0.08 -0.01 -0.03 0.00 -0.26 0.00 0.00 58.87 58.49 2k11 n SER 22 Cb 0.44 0.08 0.03 0.00 -0.26 0.00 0.00 64.21 64.49 2k11 n SER 22 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2k11 n SER 23 N -2.48 -1.73 -0.08 4.04 7.64 -1.26 -4.55 113.62 115.20 2k11 n SER 23 Ca -0.04 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.55 2k11 n SER 23 Cb 0.55 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 2k11 n SER 23 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k11 n THR 24 N -3.03 0.00 -0.21 0.44 -2.24 -1.26 -4.12 114.28 103.87 2k11 n THR 24 Ca 0.01 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.74 2k11 n THR 24 Cb 0.05 -0.38 -0.05 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 -0.34 -0.22 0.35 4.78 4.19 -1.26 -0.18 117.16 124.48 2k11 n TYR 25 Ca 0.00 0.63 -0.18 0.00 3.31 0.00 0.00 57.90 61.66 2k11 n TYR 25 Cb 0.00 -0.51 -0.09 0.00 0.49 0.00 0.00 39.34 39.24 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 -0.23 -0.06 0.00 2.85 0.75 -1.17 115.26 111.94 2k11 n ASN 27 Ca -0.13 1.04 -0.05 0.00 -0.11 0.00 0.00 54.58 55.32 2k11 n ASN 27 Cb 0.35 -0.31 -0.03 0.00 1.24 0.00 0.00 39.78 41.03 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 -0.11 1.20 7.50 -1.17 -3.34 115.11 119.19 2k11 h GLN 28 Ca 0.28 0.00 0.01 0.00 0.50 0.00 0.00 58.65 59.44 2k11 h GLN 28 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.95 2k11 h GLN 28 CO -0.62 0.24 -0.07 -1.33 -1.50 0.00 0.00 178.83 175.55 2k11 n MET 29 N -4.68 -0.05 -0.33 1.46 2.81 0.94 0.24 117.12 117.51 2k11 n MET 29 Ca -0.06 0.66 0.25 0.00 -1.81 0.00 0.00 57.70 56.74 2k11 n MET 29 Cb 0.20 -0.98 0.49 0.00 -0.71 0.00 0.00 33.22 32.22 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 0.27 0.31 0.03 2.86 -1.38 -1.38 114.93 115.64 2k11 h MET 30 Ca 0.02 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2k11 h MET 30 Cb 0.05 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2k11 h MET 30 CO -0.11 0.18 -0.15 -0.09 1.06 0.00 0.00 176.91 177.80 2k11 h ARG 31 N 0.27 -0.40 -0.80 1.72 2.43 0.30 -3.18 114.38 114.73 2k11 h ARG 31 Ca 0.75 0.03 0.23 0.00 -0.81 0.00 0.00 59.98 60.18 2k11 h ARG 31 Cb 1.76 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 31.37 2k11 h ARG 31 CO -0.63 -0.27 1.12 0.00 -1.51 0.00 0.00 179.97 178.69 2k11 h ARG 32 N -0.92 0.00 -0.79 0.20 3.08 0.92 1.92 114.38 118.80 2k11 h ARG 32 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2k11 h ARG 32 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2k11 h ARG 32 CO 0.07 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.51 2k11 n ARG 33 N -3.14 1.24 -3.42 0.04 5.12 -0.61 -4.83 116.66 111.06 2k11 n ARG 33 Ca 0.18 -0.21 -0.25 0.00 -1.93 0.00 0.00 57.85 55.64 2k11 n ARG 33 Cb 1.37 -1.45 0.01 0.00 -1.16 0.00 0.00 32.46 31.22 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 -0.03 -4.37 -0.06 0.55 3.02 0.65 -4.82 115.26 110.20 2k11 n ASN 34 Ca 0.02 -0.46 0.06 0.00 -0.03 0.00 0.00 54.58 54.17 2k11 n ASN 34 Cb 0.26 -3.56 -0.06 0.00 -0.61 0.00 0.00 39.78 35.81 2k11 n ASN 34 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 2k11 n MET 35 N -3.98 2.71 -0.44 3.52 1.56 -1.16 -4.41 117.12 114.93 2k11 n MET 35 Ca -0.02 -0.14 0.08 0.00 -0.27 0.00 0.00 57.70 57.35 2k11 n MET 35 Cb 0.55 -1.10 0.26 0.00 2.15 0.00 0.00 33.22 35.08 2k11 n MET 35 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 2k11 n THR 36 N -1.08 2.07 -2.54 1.12 -2.24 -1.26 -4.62 114.28 105.74 2k11 n THR 36 Ca 0.03 -1.65 -0.41 0.00 -2.27 0.00 0.00 64.05 59.75 2k11 n THR 36 Cb 0.21 -0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.31 2k11 n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2k11 s GLN 37 N -2.44 3.32 0.00 -0.78 -0.21 -1.26 -3.69 119.66 114.60 2k11 s GLN 37 Ca 0.40 0.04 0.00 0.00 0.02 0.00 0.00 55.36 55.82 2k11 s GLN 37 Cb 0.31 -4.11 0.00 0.00 1.00 0.00 0.00 33.01 30.20 2k11 s GLN 37 CO 0.11 -1.95 0.00 0.41 -2.12 0.00 0.00 175.29 171.74 2k11 n GLY 38 N 5.25 3.12 3.16 3.09 0.00 -1.26 -5.03 105.19 113.52 2k11 n GLY 38 Ca 0.06 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 45.03 2k11 n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k11 s ARG 39 N 0.00 0.91 -0.32 1.61 3.00 -1.24 -5.07 118.95 117.84 2k11 s ARG 39 Ca 0.00 -1.42 -0.13 0.00 0.00 0.00 0.00 55.73 54.18 2k11 s ARG 39 Cb 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 34.95 35.04 2k11 s ARG 39 CO 0.00 -0.21 0.25 0.00 0.00 0.00 0.00 175.30 175.34 2k11 n LYS 41 N 5.14 1.67 -0.02 0.00 3.00 -1.26 -4.90 118.16 121.80 2k11 n LYS 41 Ca -0.12 0.60 -0.13 0.00 -0.00 0.00 0.00 58.31 58.66 2k11 n LYS 41 Cb 0.50 -2.26 -0.10 0.00 0.00 0.00 0.00 35.03 33.17 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 4.74 0.02 -3.20 1.64 0.13 -1.96 -3.42 132.00 129.94 2k11 h PRO 42 Ca -0.45 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2k11 h PRO 42 Cb 1.30 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.32 2k11 h PRO 42 CO 0.80 0.51 0.09 0.08 -0.23 0.00 0.00 178.00 179.24 2k11 s VAL 43 N -4.25 0.02 0.13 1.56 1.01 -1.26 -2.14 120.40 115.47 2k11 s VAL 43 Ca -0.16 -0.59 -0.26 0.00 0.00 0.00 0.00 61.98 60.97 2k11 s VAL 43 Cb 0.02 -1.44 0.07 0.00 0.00 0.00 0.00 36.38 35.03 2k11 s VAL 43 CO 0.68 -0.09 1.03 0.21 0.00 0.00 0.00 175.10 176.92 2k11 s ASN 44 N -2.84 -0.13 -0.27 3.32 3.84 0.39 -4.98 114.94 114.27 2k11 s ASN 44 Ca 0.07 -0.39 -0.02 0.00 0.21 0.00 0.00 52.86 52.73 2k11 s ASN 44 Cb -0.01 0.43 0.12 0.00 -0.55 0.00 0.00 41.25 41.24 2k11 s ASN 44 CO -0.05 -0.81 0.26 -0.89 -2.79 0.00 0.00 177.10 172.82 2k11 s THR 45 N -3.00 -0.34 1.06 -5.21 2.01 -1.26 -0.86 115.64 108.05 2k11 s THR 45 Ca 0.14 -0.46 -0.18 0.00 0.31 0.00 0.00 61.69 61.50 2k11 s THR 45 Cb -0.00 -0.93 0.26 0.00 0.01 0.00 0.00 72.50 71.84 2k11 s THR 45 CO 0.02 -0.46 1.08 0.49 -0.69 0.00 0.00 174.62 175.06 2k11 n PHE 46 N 5.30 -3.88 -3.75 4.92 3.01 0.15 -4.66 117.46 118.55 2k11 n PHE 46 Ca -0.03 -0.97 -0.12 0.00 1.01 0.00 0.00 57.45 57.33 2k11 n PHE 46 Cb 0.46 -1.02 -0.12 0.00 -0.01 0.00 0.00 39.48 38.79 2k11 n PHE 46 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2k11 s VAL 47 N -3.10 -0.02 -1.09 -4.37 1.01 -0.39 -2.57 120.40 109.87 2k11 s VAL 47 Ca 0.67 0.07 0.18 0.00 0.00 0.00 0.00 61.98 62.90 2k11 s VAL 47 Cb -0.05 -0.38 0.72 0.00 0.00 0.00 0.00 36.38 36.66 2k11 s VAL 47 CO 0.50 0.03 1.63 1.41 0.00 0.00 0.00 175.10 178.67 2k11 n HIS 48 N 3.60 1.48 -4.23 5.22 8.25 -0.27 -0.66 115.22 128.61 2k11 n HIS 48 Ca -0.19 -0.62 -0.30 0.00 -0.26 0.00 0.00 57.72 56.35 2k11 n HIS 48 Cb 0.56 -0.25 -0.10 0.00 1.12 0.00 0.00 29.99 31.32 2k11 n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2k11 s GLU 49 N -1.88 2.24 0.30 -0.41 8.01 -1.20 -4.65 118.70 121.10 2k11 s GLU 49 Ca 0.51 -0.96 -0.29 0.00 0.01 0.00 0.00 54.97 54.23 2k11 s GLU 49 Cb 0.33 -2.37 -0.10 0.00 -4.31 0.00 0.00 34.13 27.68 2k11 s GLU 49 CO 0.24 0.52 1.24 -1.25 0.01 0.00 0.00 175.26 176.02 2k11 s PRO 50 N -2.17 4.46 0.14 0.39 0.04 -1.26 -4.20 135.00 132.39 2k11 s PRO 50 Ca 0.22 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 63.01 2k11 s PRO 50 Cb -0.11 -3.13 -0.06 0.00 0.04 0.00 0.00 34.50 31.24 2k11 s PRO 50 CO 0.14 -0.06 1.56 1.25 0.04 0.00 0.00 177.00 179.93 2k11 h LEU 51 N 3.80 -1.61 -0.67 -3.56 5.85 -1.99 0.04 115.31 117.17 2k11 h LEU 51 Ca -0.48 0.22 0.27 0.00 0.84 0.00 0.00 57.88 58.74 2k11 h LEU 51 Cb 1.22 0.67 -0.12 0.00 0.37 0.00 0.00 40.66 42.80 2k11 h LEU 51 CO 0.67 -0.41 0.33 0.55 -0.34 0.00 0.00 178.44 179.24 2k11 n VAL 52 N -5.41 -0.28 0.39 1.05 3.14 -1.26 0.52 118.33 116.47 2k11 n VAL 52 Ca -0.03 1.38 -0.15 0.00 -2.96 0.00 0.00 64.34 62.58 2k11 n VAL 52 Cb 0.36 -2.22 -0.07 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 -0.84 -0.82 6.55 3.58 -1.36 -2.55 116.42 120.97 2k11 h ASP 53 Ca 0.56 0.03 0.14 0.00 0.42 0.00 0.00 57.03 58.17 2k11 h ASP 53 Cb 1.45 0.22 -0.06 0.00 1.72 0.00 0.00 39.33 42.66 2k11 h ASP 53 CO -0.53 -0.53 0.54 0.58 -2.88 0.00 0.00 179.24 176.42 2k11 h VAL 54 N -1.16 0.84 -0.67 2.25 2.07 0.12 -1.04 116.25 118.66 2k11 h VAL 54 Ca -0.10 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.24 2k11 h VAL 54 Cb 0.76 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 2k11 h VAL 54 CO 0.17 0.11 0.42 1.56 0.02 0.00 0.00 177.57 179.84 2k11 h GLN 55 N 0.59 0.80 -0.23 1.57 4.20 -0.75 -1.44 115.11 119.85 2k11 h GLN 55 Ca 0.40 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 59.11 2k11 h GLN 55 Cb 0.73 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 2k11 h GLN 55 CO -0.16 0.53 0.16 -0.91 -0.67 0.00 0.00 178.83 177.78 2k11 h ASN 56 N 0.83 0.10 -0.76 1.46 2.35 -0.76 -2.03 115.58 116.77 2k11 h ASN 56 Ca 0.27 -0.00 0.11 0.00 -0.55 0.00 0.00 56.30 56.13 2k11 h ASN 56 Cb 0.01 -0.02 -0.08 0.00 0.05 0.00 0.00 38.32 38.28 2k11 h ASN 56 CO -0.10 0.07 0.38 0.58 -1.65 0.00 0.00 177.43 176.71 2k11 h VAL 57 N 0.12 0.81 0.00 2.81 2.07 -1.18 0.38 116.25 121.27 2k11 h VAL 57 Ca 0.10 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2k11 h VAL 57 Cb 0.26 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 2k11 h VAL 57 CO -0.01 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.69 2k11 n PHE 59 N -2.51 0.00 -0.10 0.00 3.72 0.10 -4.68 117.46 113.99 2k11 n PHE 59 Ca -0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.26 2k11 n PHE 59 Cb 0.09 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.59 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 -0.51 0.53 -4.51 -1.08 6.02 0.61 -5.07 117.38 113.37 2k11 n GLN 60 Ca 0.04 0.29 -0.26 0.00 -0.01 0.00 0.00 57.00 57.07 2k11 n GLN 60 Cb 0.23 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 29.91 2k11 n GLN 60 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2k11 s GLU 61 N -2.70 1.93 0.12 -1.09 2.12 -0.25 -5.08 118.70 113.75 2k11 s GLU 61 Ca -0.29 -2.18 -0.10 0.00 0.36 0.00 0.00 54.97 52.77 2k11 s GLU 61 Cb 0.06 -0.60 0.00 0.00 0.26 0.00 0.00 34.13 33.85 2k11 s GLU 61 CO 0.42 -0.48 0.25 0.15 -0.54 0.00 0.00 175.26 175.05 2k11 s LYS 62 N -3.71 0.97 0.35 4.30 1.02 -1.26 -4.43 119.74 116.99 2k11 s LYS 62 Ca 0.24 -1.00 -0.08 0.00 0.02 0.00 0.00 55.97 55.15 2k11 s LYS 62 Cb 0.03 0.37 0.02 0.00 -0.52 0.00 0.00 37.83 37.73 2k11 s LYS 62 CO 0.15 -0.34 0.60 0.14 -0.92 0.00 0.00 175.35 174.98 2k11 s VAL 63 N -3.89 0.00 0.51 3.17 -7.23 -0.36 -4.61 120.40 107.99 2k11 s VAL 63 Ca 0.09 -1.35 -0.05 0.00 -1.81 0.00 0.00 61.98 58.86 2k11 s VAL 63 Cb 0.04 -2.69 -0.02 0.00 0.56 0.00 0.00 36.38 34.27 2k11 s VAL 63 CO -0.08 0.00 0.81 -0.89 -0.31 0.00 0.00 175.10 174.64 2k11 s THR 64 N -2.84 4.48 0.33 5.32 2.01 -1.26 -3.55 115.64 120.12 2k11 s THR 64 Ca 0.24 0.10 0.10 0.00 0.31 0.00 0.00 61.69 62.44 2k11 s THR 64 Cb -0.02 -3.72 -0.06 0.00 0.01 0.00 0.00 72.50 68.71 2k11 s THR 64 CO 0.16 -0.71 -0.10 0.00 -0.69 0.00 0.00 174.62 173.29 2k11 h LYS 66 N 2.04 0.15 -0.21 0.00 1.79 -1.99 0.64 116.57 118.98 2k11 h LYS 66 Ca -0.42 -0.01 -0.14 0.00 -2.18 0.00 0.00 60.65 57.90 2k11 h LYS 66 Cb 1.25 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 2k11 h LYS 66 CO 0.67 0.10 -0.42 -0.97 -1.08 0.00 0.00 179.45 177.75 2k11 h ASN 67 N 0.15 0.73 0.00 0.86 -1.24 -2.04 -3.47 115.58 110.57 2k11 h ASN 67 Ca 0.78 -0.55 0.00 0.00 0.71 0.00 0.00 56.30 57.24 2k11 h ASN 67 Cb 1.90 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 40.74 2k11 h ASN 67 CO -0.70 1.14 0.00 0.61 -1.29 0.00 0.00 177.43 177.19 2k11 n GLY 68 N 0.41 1.76 3.49 1.57 0.00 0.22 -5.15 105.19 107.49 2k11 n GLY 68 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 1.70 0.00 1.61 -0.21 -1.26 -4.78 119.66 116.73 2k11 s GLN 69 Ca 0.00 -1.92 -0.01 0.00 0.02 0.00 0.00 55.36 53.45 2k11 s GLN 69 Cb 0.00 -1.18 -0.03 0.00 1.00 0.00 0.00 33.01 32.80 2k11 s GLN 69 CO 0.00 -0.07 2.11 0.41 -2.12 0.00 0.00 175.29 175.62 2k11 n GLY 70 N -0.73 2.50 0.06 3.09 0.00 -1.26 -1.02 105.19 107.83 2k11 n GLY 70 Ca -0.04 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 1.61 0.63 -4.89 1.61 5.15 -1.26 -4.80 115.26 113.31 2k11 n ASN 71 Ca 0.04 0.20 -0.20 0.00 -0.60 0.00 0.00 54.58 54.02 2k11 n ASN 71 Cb 0.53 -0.10 -0.03 0.00 -0.53 0.00 0.00 39.78 39.65 2k11 n ASN 71 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k11 s TYR 73 N -2.31 -0.56 -0.06 0.00 1.51 -0.56 -1.23 117.35 114.15 2k11 s TYR 73 Ca 0.44 0.84 0.04 0.00 -1.01 0.00 0.00 57.07 57.38 2k11 s TYR 73 Cb -0.06 0.38 -0.02 0.00 -0.11 0.00 0.00 41.96 42.15 2k11 s TYR 73 CO 0.28 -0.62 -0.17 0.15 -1.11 0.00 0.00 175.55 174.09 2k11 s LYS 74 N -1.69 2.60 0.54 -0.62 1.02 -1.26 -1.72 119.74 118.61 2k11 s LYS 74 Ca -0.09 -0.74 -0.21 0.00 0.02 0.00 0.00 55.97 54.95 2k11 s LYS 74 Cb -0.01 -2.36 -0.06 0.00 -0.52 0.00 0.00 37.83 34.89 2k11 s LYS 74 CO 0.05 0.53 1.12 -1.13 -0.92 0.00 0.00 175.35 175.00 2k11 n SER 75 N 2.57 1.57 0.09 2.83 3.41 -0.56 -4.54 113.62 118.99 2k11 n SER 75 Ca -0.17 0.92 -0.00 0.00 -0.26 0.00 0.00 58.87 59.36 2k11 n SER 75 Cb 0.52 -1.45 0.29 0.00 -0.26 0.00 0.00 64.21 63.32 2k11 n SER 75 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2k11 h ASN 76 N 1.07 0.27 -5.35 4.04 -0.73 -1.93 -3.45 115.58 109.51 2k11 h ASN 76 Ca -0.48 -0.08 -0.14 0.00 1.87 0.00 0.00 56.30 57.46 2k11 h ASN 76 Cb 1.34 -0.07 -0.14 0.00 0.27 0.00 0.00 38.32 39.72 2k11 h ASN 76 CO 0.54 0.54 -0.48 -0.94 -0.37 0.00 0.00 177.43 176.72 2k11 s SER 77 N -6.86 0.17 0.45 1.15 1.04 -1.26 -4.82 113.70 103.56 2k11 s SER 77 Ca -0.05 -1.04 -0.23 0.00 0.48 0.00 0.00 55.95 55.11 2k11 s SER 77 Cb 0.14 0.37 -0.10 0.00 0.10 0.00 0.00 66.02 66.53 2k11 s SER 77 CO 0.76 -0.82 0.92 -1.54 0.98 0.00 0.00 173.24 173.54 2k11 n SER 78 N -0.16 0.81 -3.91 7.02 3.41 -1.26 -4.53 113.62 115.00 2k11 n SER 78 Ca -0.06 0.98 -0.21 0.00 -0.26 0.00 0.00 58.87 59.32 2k11 n SER 78 Cb 0.63 -1.32 -0.16 0.00 -0.26 0.00 0.00 64.21 63.10 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 -2.04 0.97 0.29 4.33 -1.94 -0.31 -4.78 119.30 115.81 2k11 s MET 79 Ca 0.65 -0.16 -0.30 0.00 -1.71 0.00 0.00 55.69 54.17 2k11 s MET 79 Cb -0.54 -0.93 -0.12 0.00 2.01 0.00 0.00 34.83 35.25 2k11 s MET 79 CO 0.56 -0.06 1.60 0.72 -0.01 0.00 0.00 175.02 177.82 2k11 n HIS 80 N 4.01 2.83 -3.97 -0.03 8.25 -1.26 -1.79 115.22 123.25 2k11 n HIS 80 Ca -0.24 0.24 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 2k11 n HIS 80 Cb 0.51 -2.60 -0.04 0.00 1.12 0.00 0.00 29.99 28.98 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 0.08 0.00 -0.22 1.59 -5.25 -0.20 -1.11 121.20 116.09 2k11 s ILE 81 Ca 0.65 -1.34 -0.00 0.00 -0.99 0.00 0.00 60.65 58.97 2k11 s ILE 81 Cb -0.50 -2.25 0.06 0.00 2.95 0.00 0.00 42.46 42.72 2k11 s ILE 81 CO 0.47 0.00 -0.03 -0.89 -1.79 0.00 0.00 174.94 172.71 2k11 s THR 82 N -3.83 1.24 0.20 8.37 2.01 -1.06 -2.76 115.64 119.80 2k11 s THR 82 Ca 0.21 -1.03 -0.30 0.00 0.31 0.00 0.00 61.69 60.88 2k11 s THR 82 Cb -0.02 -1.57 -0.08 0.00 0.01 0.00 0.00 72.50 70.84 2k11 s THR 82 CO 0.10 -0.13 1.19 -0.62 -0.69 0.00 0.00 174.62 174.47 2k11 s ASP 83 N 1.53 7.10 -0.29 3.53 2.15 -0.92 0.34 116.67 130.11 2k11 s ASP 83 Ca -0.04 2.26 -0.01 0.00 0.43 0.00 0.00 52.55 55.18 2k11 s ASP 83 Cb -0.18 -2.61 0.09 0.00 -0.30 0.00 0.00 42.92 39.92 2k11 s ASP 83 CO -0.07 -0.35 0.08 0.00 -0.17 0.00 0.00 175.17 174.67 2k11 s ARG 85 N 1.66 1.71 0.12 0.00 3.52 -1.14 0.15 118.95 124.96 2k11 s ARG 85 Ca 0.07 -0.50 -0.35 0.00 -0.13 0.00 0.00 55.73 54.82 2k11 s ARG 85 Cb -0.17 -1.44 -0.15 0.00 -1.56 0.00 0.00 34.95 31.62 2k11 s ARG 85 CO -0.22 0.13 1.47 1.28 -0.81 0.00 0.00 175.30 177.15 2k11 n LEU 86 N 3.48 2.44 -4.43 -0.88 4.77 -0.91 0.18 117.00 121.64 2k11 n LEU 86 Ca -0.20 1.10 -0.31 0.00 -0.03 0.00 0.00 56.01 56.57 2k11 n LEU 86 Cb 0.53 -1.32 0.27 0.00 -2.33 0.00 0.00 43.42 40.57 2k11 n LEU 86 CO 0.25 -0.63 0.51 0.42 -1.33 0.00 0.00 177.39 176.61 2k11 s THR 87 N 0.77 1.31 -1.10 -5.08 -4.23 -1.11 -4.76 115.64 101.44 2k11 s THR 87 Ca 0.82 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.35 2k11 s THR 87 Cb -0.81 -2.29 0.12 0.00 1.34 0.00 0.00 72.50 70.87 2k11 s THR 87 CO 0.42 0.00 0.77 0.59 -0.54 0.00 0.00 174.62 175.86 2k11 n ASN 88 N -5.30 1.53 -2.67 3.99 3.02 -1.26 -3.87 115.26 110.70 2k11 n ASN 88 Ca 0.15 -2.12 -0.06 0.00 -0.03 0.00 0.00 54.58 52.52 2k11 n ASN 88 Cb 0.60 -0.44 0.09 0.00 -0.61 0.00 0.00 39.78 39.42 2k11 n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k11 n GLY 89 N 0.21 0.85 2.72 7.41 0.00 -1.26 -5.11 105.19 110.01 2k11 n GLY 89 Ca 0.04 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 2k11 n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k11 s SER 90 N -0.94 1.46 0.06 1.61 1.04 -1.25 -4.96 113.70 110.72 2k11 s SER 90 Ca 0.16 -0.14 -0.00 0.00 0.48 0.00 0.00 55.95 56.45 2k11 s SER 90 Cb 0.32 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 2k11 s SER 90 CO -0.07 -0.30 -0.04 -0.60 0.98 0.00 0.00 173.24 173.21 2k11 s ARG 91 N 2.24 0.67 0.25 4.02 6.06 -0.14 -4.74 118.95 127.31 2k11 s ARG 91 Ca 0.04 -1.25 -0.30 0.00 -2.50 0.00 0.00 55.73 51.72 2k11 s ARG 91 Cb -0.14 0.09 -0.14 0.00 0.06 0.00 0.00 34.95 34.82 2k11 s ARG 91 CO -0.08 -0.08 1.22 0.98 -2.50 0.00 0.00 175.30 174.84 2k11 n TYR 92 N 0.07 1.72 0.24 5.12 4.19 -1.26 0.29 117.16 127.54 2k11 n TYR 92 Ca -0.14 0.58 0.12 0.00 3.31 0.00 0.00 57.90 61.78 2k11 n TYR 92 Cb 0.61 -2.35 0.57 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 3.18 0.00 -6.21 2.98 0.13 -1.99 -3.50 132.00 126.59 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 0.68 0.15 1.13 0.09 -0.23 0.00 0.00 178.00 179.82 2k11 n ASN 94 N -3.35 3.15 -0.24 1.44 4.13 0.85 -4.83 115.26 116.40 2k11 n ASN 94 Ca -0.00 0.89 0.08 0.00 1.68 0.00 0.00 54.58 57.23 2k11 n ASN 94 Cb 0.36 -1.33 0.14 0.00 -1.54 0.00 0.00 39.78 37.41 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 -1.03 0.55 -2.01 0.00 0.00 -1.26 -4.60 120.51 112.15 2k11 n ALA 96 Ca 0.14 -0.42 -0.23 0.00 0.00 0.00 0.00 53.44 52.93 2k11 n ALA 96 Cb 0.62 -2.59 0.11 0.00 0.00 0.00 0.00 19.45 17.59 2k11 n ALA 96 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2k11 s TYR 97 N 9.59 1.23 -0.42 0.00 2.02 -1.26 -2.75 117.35 125.76 2k11 s TYR 97 Ca 1.20 -0.50 -0.06 0.00 -0.37 0.00 0.00 57.07 57.33 2k11 s TYR 97 Cb -0.88 -2.75 0.10 0.00 -0.40 0.00 0.00 41.96 38.02 2k11 s TYR 97 CO 0.43 -1.69 0.23 0.50 -1.57 0.00 0.00 175.55 173.45 2k11 s ARG 98 N -5.05 2.33 -0.46 -0.62 3.52 0.47 -4.58 118.95 114.55 2k11 s ARG 98 Ca 0.67 -1.65 -0.29 0.00 -0.13 0.00 0.00 55.73 54.32 2k11 s ARG 98 Cb -0.04 -3.69 0.03 0.00 -1.56 0.00 0.00 34.95 29.69 2k11 s ARG 98 CO 0.44 -1.03 1.16 0.99 -0.81 0.00 0.00 175.30 176.05 2k11 s THR 99 N 1.29 4.19 -0.39 4.11 2.01 -1.25 -2.88 115.64 122.71 2k11 s THR 99 Ca 0.05 1.22 -0.02 0.00 0.31 0.00 0.00 61.69 63.25 2k11 s THR 99 Cb -0.23 -4.56 0.11 0.00 0.01 0.00 0.00 72.50 67.82 2k11 s THR 99 CO -0.01 -0.97 0.18 -0.55 -0.69 0.00 0.00 174.62 172.58 2k11 s SER 100 N 2.55 5.18 -0.09 3.53 0.15 -0.32 -4.60 113.70 120.11 2k11 s SER 100 Ca 0.49 -2.02 -0.30 0.00 0.70 0.00 0.00 55.95 54.83 2k11 s SER 100 Cb -0.08 -1.80 -0.04 0.00 -1.71 0.00 0.00 66.02 62.39 2k11 s SER 100 CO 0.31 -0.51 1.52 -2.16 1.20 0.00 0.00 173.24 173.60 2k11 s PRO 101 N 1.11 4.20 0.02 5.44 0.04 -1.23 -2.16 135.00 142.42 2k11 s PRO 101 Ca 0.08 2.01 -0.27 0.00 0.04 0.00 0.00 61.00 62.86 2k11 s PRO 101 Cb -0.22 -3.89 0.09 0.00 0.04 0.00 0.00 34.50 30.52 2k11 s PRO 101 CO -0.05 -0.79 0.78 0.15 0.04 0.00 0.00 177.00 177.14 2k11 s LYS 102 N 3.78 0.97 -0.18 4.56 1.02 -1.11 -5.02 119.74 123.74 2k11 s LYS 102 Ca 0.67 -0.22 -0.01 0.00 0.02 0.00 0.00 55.97 56.43 2k11 s LYS 102 Cb -0.30 0.45 0.05 0.00 -0.52 0.00 0.00 37.83 37.51 2k11 s LYS 102 CO 0.25 -0.40 -0.03 -1.83 -0.92 0.00 0.00 175.35 172.42 2k11 s GLU 103 N -2.80 1.28 0.28 1.68 -1.05 -1.26 -1.03 118.70 115.80 2k11 s GLU 103 Ca 0.01 -0.59 -0.14 0.00 -0.15 0.00 0.00 54.97 54.10 2k11 s GLU 103 Cb -0.01 -2.13 0.01 0.00 -0.44 0.00 0.00 34.13 31.56 2k11 s GLU 103 CO -0.06 -0.51 0.57 0.50 0.95 0.00 0.00 175.26 176.71 2k11 s ARG 104 N 1.64 1.74 1.15 -4.83 6.06 -0.74 -4.64 118.95 119.33 2k11 s ARG 104 Ca -0.01 -1.28 -0.17 0.00 -2.50 0.00 0.00 55.73 51.77 2k11 s ARG 104 Cb -0.16 0.52 0.17 0.00 0.06 0.00 0.00 34.95 35.53 2k11 s ARG 104 CO -0.07 -0.75 0.29 0.72 -2.50 0.00 0.00 175.30 172.98 2k11 n HIS 105 N -0.44 -1.48 -3.52 5.12 8.25 -1.22 -1.16 115.22 120.77 2k11 n HIS 105 Ca -0.03 0.02 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 2k11 n HIS 105 Cb 0.61 -1.58 -0.03 0.00 1.12 0.00 0.00 29.99 30.11 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 -2.27 0.03 -0.08 1.59 -4.36 -1.26 -1.10 121.20 113.75 2k11 s ILE 106 Ca 0.59 -0.25 0.03 0.00 -0.26 0.00 0.00 60.65 60.76 2k11 s ILE 106 Cb -0.15 -1.07 0.01 0.00 1.25 0.00 0.00 42.46 42.50 2k11 s ILE 106 CO 0.65 -0.14 -0.15 -0.63 0.24 0.00 0.00 174.94 174.91 2k11 s ILE 107 N -3.68 1.39 0.08 8.37 1.09 -0.80 -1.50 121.20 126.14 2k11 s ILE 107 Ca 0.01 -0.62 0.02 0.00 -1.10 0.00 0.00 60.65 58.97 2k11 s ILE 107 Cb 0.00 -1.25 -0.04 0.00 -1.06 0.00 0.00 42.46 40.12 2k11 s ILE 107 CO -0.12 0.41 -0.07 0.68 -0.10 0.00 0.00 174.94 175.74 2k11 s VAL 108 N 0.66 0.66 -0.44 2.92 -7.23 -0.70 -1.23 120.40 115.04 2k11 s VAL 108 Ca -0.14 -1.67 -0.08 0.00 -1.81 0.00 0.00 61.98 58.27 2k11 s VAL 108 Cb -0.16 -1.36 0.10 0.00 0.56 0.00 0.00 36.38 35.52 2k11 s VAL 108 CO 0.04 -0.72 0.29 0.00 -0.31 0.00 0.00 175.10 174.40 2k11 s ALA 109 N -2.92 3.31 0.28 1.32 0.00 -0.87 -1.50 121.76 121.38 2k11 s ALA 109 Ca 0.05 -2.38 -0.14 0.00 0.00 0.00 0.00 51.96 49.50 2k11 s ALA 109 Cb 0.00 -2.69 -0.08 0.00 0.00 0.00 0.00 23.12 20.35 2k11 s ALA 109 CO -0.03 -1.78 0.67 0.00 0.00 0.00 0.00 175.76 174.61 2k11 s GLU 111 N -2.81 1.45 2.40 0.00 2.12 -0.39 -4.86 118.70 116.61 2k11 s GLU 111 Ca 0.50 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.98 2k11 s GLU 111 Cb -0.11 0.46 0.00 0.00 0.26 0.00 0.00 34.13 34.74 2k11 s GLU 111 CO 0.19 -0.67 0.00 0.41 -0.54 0.00 0.00 175.26 174.65 2k11 n GLY 112 N -0.52 -0.88 3.11 -1.50 0.00 -1.26 -3.64 105.19 100.50 2k11 n GLY 112 Ca -0.05 -1.25 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.07 1.24 1.61 0.15 -1.26 -3.99 113.70 107.38 2k11 s SER 113 Ca 0.00 0.70 -0.20 0.00 0.70 0.00 0.00 55.95 57.15 2k11 s SER 113 Cb 0.00 0.76 0.29 0.00 -1.71 0.00 0.00 66.02 65.37 2k11 s SER 113 CO 0.00 -0.21 1.05 -0.81 1.20 0.00 0.00 173.24 174.47 2k11 n PRO 114 N 4.89 -3.08 -2.28 5.44 -0.04 -1.26 -5.03 135.00 133.64 2k11 n PRO 114 Ca -0.14 -1.68 -0.40 0.00 -0.04 0.00 0.00 63.50 61.23 2k11 n PRO 114 Cb 0.51 -1.58 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.90 2.02 0.08 0.54 5.04 -1.26 -4.80 117.35 116.08 2k11 s TYR 115 Ca 0.68 0.46 0.03 0.00 -2.44 0.00 0.00 57.07 55.80 2k11 s TYR 115 Cb -0.07 -4.33 -0.03 0.00 0.35 0.00 0.00 41.96 37.88 2k11 s TYR 115 CO 0.52 -2.18 -0.09 0.14 -1.34 0.00 0.00 175.55 172.60 2k11 s VAL 116 N 7.16 0.80 -0.23 3.14 -7.23 -1.24 -4.89 120.40 117.91 2k11 s VAL 116 Ca 0.55 -1.46 -0.29 0.00 -1.81 0.00 0.00 61.98 58.96 2k11 s VAL 116 Cb -0.11 -1.13 -0.02 0.00 0.56 0.00 0.00 36.38 35.67 2k11 s VAL 116 CO 0.21 -0.50 1.62 -2.16 -0.31 0.00 0.00 175.10 173.95 2k11 s PRO 117 N -2.42 3.76 -0.11 4.82 0.04 -1.26 -1.27 135.00 138.56 2k11 s PRO 117 Ca 0.01 1.62 0.14 0.00 0.04 0.00 0.00 61.00 62.81 2k11 s PRO 117 Cb -0.05 -4.04 0.41 0.00 0.04 0.00 0.00 34.50 30.86 2k11 s PRO 117 CO -0.00 -1.33 1.32 1.33 0.04 0.00 0.00 177.00 178.36 2k11 n VAL 118 N 6.48 1.79 -3.56 -0.36 0.24 -0.96 -4.71 118.33 117.26 2k11 n VAL 118 Ca 0.19 -1.60 -0.10 0.00 -2.04 0.00 0.00 64.34 60.79 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 -2.18 -0.37 -0.07 6.34 5.65 -1.22 -4.74 115.29 118.70 2k11 s HIS 119 Ca 0.33 0.57 0.03 0.00 0.25 0.00 0.00 55.06 56.25 2k11 s HIS 119 Cb 0.25 0.46 -0.02 0.00 -1.18 0.00 0.00 32.58 32.09 2k11 s HIS 119 CO 0.10 -0.39 -0.17 0.12 -0.65 0.00 0.00 174.74 173.75 2k11 s PHE 120 N -1.50 2.65 0.00 3.88 2.19 -1.26 -2.05 117.98 121.90 2k11 s PHE 120 Ca -0.01 -0.39 0.00 0.00 0.33 0.00 0.00 56.93 56.86 2k11 s PHE 120 Cb -0.01 -1.67 0.00 0.00 -1.31 0.00 0.00 43.02 40.04 2k11 s PHE 120 CO 0.00 0.00 0.00 -0.25 1.83 0.00 0.00 175.22 176.81 2k11 n ASP 121 N 2.72 0.00 -3.58 6.13 8.00 -0.36 -4.95 116.55 124.50 2k11 n ASP 121 Ca -0.17 0.03 -0.08 0.00 0.71 0.00 0.00 54.79 55.27 2k11 n ASP 121 Cb 0.52 -0.28 -0.04 0.00 -0.02 0.00 0.00 41.12 41.30 2k11 n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k11 s ALA 122 N -3.85 -1.97 0.10 2.24 0.00 -1.22 -5.02 121.76 112.05 2k11 s ALA 122 Ca 0.00 1.58 -0.29 0.00 0.00 0.00 0.00 51.96 53.25 2k11 s ALA 122 Cb 0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 23.12 22.39 2k11 s ALA 122 CO 0.00 -0.37 0.94 -1.54 0.00 0.00 0.00 175.76 174.79 2k11 s SER 123 N -1.36 7.47 0.64 0.00 1.04 -1.26 -1.91 113.70 118.31 2k11 s SER 123 Ca 0.02 1.76 0.05 0.00 0.48 0.00 0.00 55.95 58.26 2k11 s SER 123 Cb -0.01 -2.57 0.10 0.00 0.10 0.00 0.00 66.02 63.64 2k11 s SER 123 CO -0.02 -0.05 0.88 -0.69 0.98 0.00 0.00 173.24 174.34 2k11 s VAL 124 N -0.02 2.16 -0.24 5.02 1.01 -0.26 -4.92 120.40 123.16 2k11 s VAL 124 Ca 0.46 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.67 2k11 s VAL 124 Cb -0.23 -2.34 -0.18 0.00 0.00 0.00 0.00 36.38 33.63 2k11 s VAL 124 CO 0.29 0.00 -0.16 1.21 0.00 0.00 0.00 175.10 176.44 2k11 n GLU 125 N -2.51 0.67 -4.18 2.72 2.13 -1.26 -3.39 120.64 114.82 2k11 n GLU 125 Ca 0.15 0.11 -0.15 0.00 0.66 0.00 0.00 57.16 57.93 2k11 n GLU 125 Cb 0.61 -1.50 -0.07 0.00 0.27 0.00 0.00 31.44 30.75 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 -6.20 0.86 0.00 4.31 2.15 -1.26 -4.48 116.67 112.05 2k11 s ASP 126 Ca -0.29 -1.50 0.04 0.00 0.43 0.00 0.00 52.55 51.24 2k11 s ASP 126 Cb 0.08 0.53 0.27 0.00 -0.30 0.00 0.00 42.92 43.50 2k11 s ASP 126 CO 0.62 -1.06 0.74 -0.24 -0.17 0.00 0.00 175.17 175.06