#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 2.64 0.30 1.97 2.12 -1.26 -5.14 118.70 119.33 2k11 s GLU 2 Ca 0.00 -1.25 0.04 0.00 0.36 0.00 0.00 54.97 54.12 2k11 s GLU 2 Cb 0.00 -2.38 -0.03 0.00 0.26 0.00 0.00 34.13 31.97 2k11 s GLU 2 CO 0.00 0.33 0.20 0.45 -0.54 0.00 0.00 175.26 175.70 2k11 s SER 3 N -3.80 1.35 -0.11 -1.70 0.15 -1.26 -5.10 113.70 103.23 2k11 s SER 3 Ca 0.34 -1.62 -0.04 0.00 0.70 0.00 0.00 55.95 55.34 2k11 s SER 3 Cb -0.07 0.47 -0.01 0.00 -1.71 0.00 0.00 66.02 64.70 2k11 s SER 3 CO 0.23 -0.96 -0.07 -0.09 1.20 0.00 0.00 173.24 173.56 2k11 h ARG 4 N 2.25 0.00 -0.72 5.44 2.43 -2.00 -3.33 114.38 118.45 2k11 h ARG 4 Ca -0.30 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.01 2k11 h ARG 4 Cb 1.24 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.66 2k11 h ARG 4 CO 0.45 0.00 -0.20 0.00 -1.51 0.00 0.00 179.97 178.71 2k11 h ALA 5 N -1.10 0.42 -0.82 2.80 0.00 -1.91 0.17 119.26 118.82 2k11 h ALA 5 Ca 0.00 0.27 0.20 0.00 0.00 0.00 0.00 54.91 55.38 2k11 h ALA 5 Cb 0.19 0.58 -0.13 0.00 0.00 0.00 0.00 17.79 18.44 2k11 h ALA 5 CO 0.00 -0.44 0.21 0.87 0.00 0.00 0.00 179.25 179.89 2k11 h LYS 6 N -0.02 0.23 -0.81 0.00 6.56 -1.92 0.41 116.57 121.03 2k11 h LYS 6 Ca 0.34 -0.01 0.04 0.00 -1.06 0.00 0.00 60.65 59.95 2k11 h LYS 6 Cb 0.53 -0.05 -0.05 0.00 -0.57 0.00 0.00 32.23 32.09 2k11 h LYS 6 CO -0.74 0.16 0.53 -0.22 -2.06 0.00 0.00 179.45 177.11 2k11 h LYS 7 N 0.24 0.94 -0.49 3.15 1.63 -0.77 -1.52 116.57 119.76 2k11 h LYS 7 Ca 0.49 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 60.19 2k11 h LYS 7 Cb 0.93 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 2k11 h LYS 7 CO -0.59 0.62 0.10 0.35 -3.45 0.00 0.00 179.45 176.48 2k11 h PHE 8 N 0.97 0.76 0.90 1.91 3.57 0.07 -1.77 116.94 123.35 2k11 h PHE 8 Ca 0.33 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 2k11 h PHE 8 Cb 0.08 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 38.60 2k11 h PHE 8 CO -0.00 0.66 -0.43 1.96 -2.23 0.00 0.00 178.31 178.27 2k11 h GLN 9 N 0.72 -1.16 0.00 1.11 7.50 -0.72 -1.16 115.11 121.39 2k11 h GLN 9 Ca 0.16 0.08 0.00 0.00 0.50 0.00 0.00 58.65 59.39 2k11 h GLN 9 Cb 0.29 0.26 0.00 0.00 0.05 0.00 0.00 27.48 28.08 2k11 h GLN 9 CO 0.00 -0.77 0.00 0.54 -1.50 0.00 0.00 178.83 177.10 2k11 n ARG 10 N -5.60 0.70 -0.12 1.46 1.74 -1.11 -0.62 116.66 113.12 2k11 n ARG 10 Ca -0.16 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.72 2k11 n ARG 10 Cb 0.48 -1.17 -0.07 0.00 -1.02 0.00 0.00 32.46 30.67 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 -0.67 0.56 -0.01 5.56 6.02 -0.67 -4.86 117.38 123.30 2k11 n GLN 11 Ca 0.06 0.30 -0.02 0.00 -0.01 0.00 0.00 57.00 57.34 2k11 n GLN 11 Cb 0.03 -1.52 -0.01 0.00 1.02 0.00 0.00 30.24 29.76 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 -4.36 0.00 -2.16 1.08 8.25 -0.50 -4.94 115.22 112.59 2k11 n HIS 12 Ca -0.36 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.68 2k11 n HIS 12 Cb 0.71 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.69 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 3.30 -0.09 -0.41 -1.94 0.21 -0.64 119.30 117.69 2k11 s MET 13 Ca -0.03 1.05 0.12 0.00 -1.71 0.00 0.00 55.69 55.13 2k11 s MET 13 Cb 0.01 -4.16 0.29 0.00 2.01 0.00 0.00 34.83 32.97 2k11 s MET 13 CO 0.06 -1.90 1.21 -0.40 -0.01 0.00 0.00 175.02 173.98 2k11 n ASP 14 N 10.11 2.79 -0.23 3.03 5.75 -0.11 -4.17 116.55 133.72 2k11 n ASP 14 Ca 0.19 -2.61 0.14 0.00 -0.01 0.00 0.00 54.79 52.51 2k11 n ASP 14 Cb 0.48 -0.32 0.27 0.00 -1.03 0.00 0.00 41.12 40.52 2k11 n ASP 14 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2k11 n SER 15 N -0.60 0.04 -0.27 -1.12 3.41 -0.21 -0.04 113.62 114.83 2k11 n SER 15 Ca 0.13 1.14 -0.02 0.00 -0.26 0.00 0.00 58.87 59.86 2k11 n SER 15 Cb 0.58 -0.47 0.01 0.00 -0.26 0.00 0.00 64.21 64.06 2k11 n SER 15 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k11 n ASP 16 N -4.77 -0.51 -4.81 4.04 -0.08 -1.26 -4.35 116.55 104.81 2k11 n ASP 16 Ca 0.20 1.21 -0.30 0.00 -1.51 0.00 0.00 54.79 54.38 2k11 n ASP 16 Cb 0.65 -0.25 0.08 0.00 2.34 0.00 0.00 41.12 43.94 2k11 n ASP 16 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2k11 s SER 17 N -5.27 4.77 0.54 1.67 0.01 0.95 -5.07 113.70 111.31 2k11 s SER 17 Ca -0.09 1.43 0.01 0.00 1.31 0.00 0.00 55.95 58.61 2k11 s SER 17 Cb 0.13 -2.21 0.03 0.00 0.21 0.00 0.00 66.02 64.17 2k11 s SER 17 CO 0.48 -1.81 0.77 -0.44 0.41 0.00 0.00 173.24 172.65 2k11 s SER 18 N -3.84 5.35 0.52 2.44 0.01 -1.26 -4.95 113.70 111.96 2k11 s SER 18 Ca 0.60 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.92 2k11 s SER 18 Cb -0.14 -0.99 0.00 0.00 0.21 0.00 0.00 66.02 65.09 2k11 s SER 18 CO 0.55 -1.09 0.00 -0.81 0.41 0.00 0.00 173.24 172.30 2k11 n PRO 19 N -2.33 -0.05 -3.33 12.44 -0.04 -1.26 -4.60 135.00 135.84 2k11 n PRO 19 Ca 0.07 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.36 2k11 n PRO 19 Cb 0.59 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.13 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 -1.55 -2.79 -4.36 3.54 2.88 -1.26 -4.96 113.62 105.12 2k11 n SER 20 Ca 0.00 -0.54 -0.45 0.00 -1.33 0.00 0.00 58.87 56.54 2k11 n SER 20 Cb 0.00 -4.65 -0.06 0.00 -0.75 0.00 0.00 64.21 58.75 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 -4.04 6.18 -0.02 -3.46 0.01 -1.26 -4.81 113.70 106.29 2k11 s SER 21 Ca 0.10 -1.51 0.01 0.00 1.31 0.00 0.00 55.95 55.86 2k11 s SER 21 Cb -0.04 -2.23 -0.02 0.00 0.21 0.00 0.00 66.02 63.94 2k11 s SER 21 CO 0.66 -0.85 -0.02 -0.24 0.41 0.00 0.00 173.24 173.20 2k11 n SER 22 N 5.52 3.94 -3.05 2.44 2.88 -1.26 -3.77 113.62 120.32 2k11 n SER 22 Ca -0.12 -0.01 -0.02 0.00 -1.33 0.00 0.00 58.87 57.38 2k11 n SER 22 Cb 0.42 0.08 0.02 0.00 -0.75 0.00 0.00 64.21 63.98 2k11 n SER 22 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k11 n SER 23 N -2.47 -1.55 -0.40 -3.46 7.64 -1.26 -4.41 113.62 107.71 2k11 n SER 23 Ca -0.04 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2k11 n SER 23 Cb 0.55 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 -2.92 0.00 0.00 0.44 -2.24 -1.26 -4.36 114.28 103.94 2k11 n THR 24 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2k11 n THR 24 Cb 0.05 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 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 0.17 0.00 0.21 4.78 4.19 -1.26 -0.95 117.16 124.29 2k11 n TYR 25 Ca 0.00 0.00 -0.15 0.00 3.31 0.00 0.00 57.90 61.06 2k11 n TYR 25 Cb 0.07 -0.24 -0.08 0.00 0.49 0.00 0.00 39.34 39.58 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 -5.33 -0.08 -0.09 0.00 4.05 -0.12 -1.10 115.26 112.58 2k11 n ASN 27 Ca -0.10 1.02 -0.08 0.00 0.45 0.00 0.00 54.58 55.87 2k11 n ASN 27 Cb 0.24 -0.37 -0.03 0.00 1.23 0.00 0.00 39.78 40.86 2k11 n ASN 27 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2k11 n GLN 28 N -4.78 0.51 -0.16 1.20 6.02 -0.27 -4.36 117.38 115.53 2k11 n GLN 28 Ca 0.14 0.27 -0.04 0.00 -0.01 0.00 0.00 57.00 57.36 2k11 n GLN 28 Cb 0.45 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 30.19 2k11 n GLN 28 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 2k11 n MET 29 N -4.48 -0.17 -0.32 -1.09 2.81 0.32 0.24 117.12 114.43 2k11 n MET 29 Ca -0.12 0.80 0.21 0.00 -1.81 0.00 0.00 57.70 56.77 2k11 n MET 29 Cb 0.46 -1.18 0.41 0.00 -0.71 0.00 0.00 33.22 32.21 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 0.17 -0.04 0.03 2.86 -1.29 0.92 114.93 117.59 2k11 h MET 30 Ca 0.06 -0.01 -0.20 0.00 -2.06 0.00 0.00 59.70 57.49 2k11 h MET 30 Cb 0.16 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 2k11 h MET 30 CO -0.37 0.11 -0.83 -0.09 1.06 0.00 0.00 176.91 176.79 2k11 h ARG 31 N 0.17 0.38 0.00 1.72 1.12 0.30 -2.86 114.38 115.21 2k11 h ARG 31 Ca 0.68 -0.36 -0.04 0.00 -1.11 0.00 0.00 59.98 59.15 2k11 h ARG 31 Cb 1.56 0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 31.60 2k11 h ARG 31 CO -0.70 1.02 -0.19 -0.09 -3.11 0.00 0.00 179.97 176.89 2k11 h ARG 32 N 0.24 0.00 -0.77 0.20 2.43 0.45 -2.82 114.38 114.11 2k11 h ARG 32 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2k11 h ARG 32 Cb 1.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.99 2k11 h ARG 32 CO 0.14 0.19 0.00 0.54 -1.51 0.00 0.00 179.97 179.33 2k11 n ARG 33 N -3.31 1.44 -3.58 0.20 5.12 0.18 -4.84 116.66 111.87 2k11 n ARG 33 Ca 0.01 -0.38 -0.22 0.00 -1.93 0.00 0.00 57.85 55.32 2k11 n ARG 33 Cb 0.44 -1.49 0.08 0.00 -1.16 0.00 0.00 32.46 30.33 2k11 n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2k11 n ASN 34 N 0.02 -5.05 -0.01 0.55 3.02 -1.06 -4.89 115.26 107.84 2k11 n ASN 34 Ca 0.03 -0.58 0.06 0.00 -0.03 0.00 0.00 54.58 54.06 2k11 n ASN 34 Cb 0.31 -4.97 -0.09 0.00 -0.61 0.00 0.00 39.78 34.42 2k11 n ASN 34 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 2k11 n MET 35 N -4.75 0.45 -0.55 3.52 1.56 -1.09 -4.48 117.12 111.79 2k11 n MET 35 Ca -0.07 -0.10 0.08 0.00 -0.27 0.00 0.00 57.70 57.34 2k11 n MET 35 Cb 0.59 -1.26 0.30 0.00 2.15 0.00 0.00 33.22 34.99 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 -1.87 2.18 -2.23 1.12 -2.24 -1.25 -4.46 114.28 105.52 2k11 n THR 36 Ca -0.02 -1.56 -0.43 0.00 -2.27 0.00 0.00 64.05 59.77 2k11 n THR 36 Cb 0.29 -0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.39 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 -2.45 3.69 0.00 -0.78 -1.52 -1.26 -3.34 119.66 114.00 2k11 s GLN 37 Ca 0.44 1.32 0.00 0.00 -1.95 0.00 0.00 55.36 55.18 2k11 s GLN 37 Cb 0.33 -4.02 0.00 0.00 -0.22 0.00 0.00 33.01 29.10 2k11 s GLN 37 CO 0.14 -1.42 0.00 0.41 -0.25 0.00 0.00 175.29 174.17 2k11 n GLY 38 N 4.82 2.02 3.28 3.09 0.00 -1.26 -4.92 105.19 112.22 2k11 n GLY 38 Ca 0.18 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 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 1.69 -0.05 1.61 0.52 -1.21 -4.97 118.95 116.54 2k11 s ARG 39 Ca 0.00 -1.95 0.03 0.00 -0.52 0.00 0.00 55.73 53.29 2k11 s ARG 39 Cb 0.00 0.32 -0.03 0.00 0.52 0.00 0.00 34.95 35.77 2k11 s ARG 39 CO 0.00 -0.62 -0.14 0.00 0.02 0.00 0.00 175.30 174.56 2k11 s LYS 41 N -0.74 4.52 0.17 0.00 2.47 -1.26 -4.91 119.74 119.98 2k11 s LYS 41 Ca 0.11 1.14 -0.08 0.00 -1.56 0.00 0.00 55.97 55.58 2k11 s LYS 41 Cb -0.11 -3.41 0.03 0.00 -1.46 0.00 0.00 37.83 32.88 2k11 s LYS 41 CO 0.01 0.14 1.51 -1.00 0.16 0.00 0.00 175.35 176.16 2k11 h PRO 42 N 6.22 0.83 -3.34 4.03 0.13 -1.98 -3.42 132.00 134.47 2k11 h PRO 42 Ca -0.42 -0.44 -0.02 0.00 -0.87 0.00 0.00 66.00 64.25 2k11 h PRO 42 Cb 1.21 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.26 2k11 h PRO 42 CO 0.73 1.07 0.02 0.08 -0.23 0.00 0.00 178.00 179.67 2k11 s VAL 43 N -4.34 0.02 0.14 1.56 1.01 -1.26 -2.22 120.40 115.31 2k11 s VAL 43 Ca -0.10 -0.88 -0.25 0.00 0.00 0.00 0.00 61.98 60.75 2k11 s VAL 43 Cb 0.11 -1.68 0.07 0.00 0.00 0.00 0.00 36.38 34.88 2k11 s VAL 43 CO 0.87 -0.10 1.02 0.54 0.00 0.00 0.00 175.10 177.42 2k11 s ASN 44 N -2.90 -0.12 -0.29 3.32 2.20 0.60 -4.95 114.94 112.80 2k11 s ASN 44 Ca 0.11 -0.44 0.02 0.00 -0.94 0.00 0.00 52.86 51.61 2k11 s ASN 44 Cb -0.01 0.45 0.18 0.00 -2.00 0.00 0.00 41.25 39.87 2k11 s ASN 44 CO -0.01 -0.85 0.55 -0.89 -2.94 0.00 0.00 177.10 172.96 2k11 s THR 45 N -2.90 -0.91 1.15 0.54 2.01 -1.26 -1.17 115.64 113.10 2k11 s THR 45 Ca 0.15 -0.05 -0.19 0.00 0.31 0.00 0.00 61.69 61.91 2k11 s THR 45 Cb -0.01 -0.98 0.28 0.00 0.01 0.00 0.00 72.50 71.80 2k11 s THR 45 CO 0.02 -0.05 1.21 -0.36 -0.69 0.00 0.00 174.62 174.75 2k11 s PHE 46 N 2.77 0.57 -0.01 4.92 0.08 0.39 -4.85 117.98 121.85 2k11 s PHE 46 Ca 0.14 0.31 0.01 0.00 0.12 0.00 0.00 56.93 57.50 2k11 s PHE 46 Cb -0.13 -3.82 0.01 0.00 -0.57 0.00 0.00 43.02 38.51 2k11 s PHE 46 CO -0.24 -3.60 -0.01 0.08 -0.10 0.00 0.00 175.22 171.35 2k11 s VAL 47 N -3.41 0.14 -0.35 -0.44 1.01 0.18 -2.20 120.40 115.34 2k11 s VAL 47 Ca 0.74 -0.03 0.16 0.00 0.00 0.00 0.00 61.98 62.85 2k11 s VAL 47 Cb -0.05 -0.15 0.51 0.00 0.00 0.00 0.00 36.38 36.69 2k11 s VAL 47 CO 0.55 0.06 1.42 1.41 0.00 0.00 0.00 175.10 178.54 2k11 n HIS 48 N 3.31 0.95 -4.19 5.22 8.25 0.20 -0.94 115.22 128.02 2k11 n HIS 48 Ca -0.16 -0.79 -0.27 0.00 -0.26 0.00 0.00 57.72 56.24 2k11 n HIS 48 Cb 0.57 -0.27 -0.08 0.00 1.12 0.00 0.00 29.99 31.33 2k11 n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2k11 s GLU 49 N -2.47 2.46 0.27 -0.41 0.41 -1.20 -4.72 118.70 113.04 2k11 s GLU 49 Ca 0.40 -1.07 -0.29 0.00 -0.41 0.00 0.00 54.97 53.60 2k11 s GLU 49 Cb 0.31 -2.40 -0.10 0.00 -1.78 0.00 0.00 34.13 30.16 2k11 s GLU 49 CO 0.11 0.46 1.26 -1.25 -0.49 0.00 0.00 175.26 175.35 2k11 s PRO 50 N -2.91 4.44 0.14 0.39 0.04 -1.26 -4.36 135.00 131.47 2k11 s PRO 50 Ca 0.28 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 63.08 2k11 s PRO 50 Cb -0.10 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 31.25 2k11 s PRO 50 CO 0.19 -0.11 1.57 1.25 0.04 0.00 0.00 177.00 179.94 2k11 h LEU 51 N 4.18 -1.47 -0.87 -3.56 5.85 -2.00 0.08 115.31 117.52 2k11 h LEU 51 Ca -0.47 0.20 0.32 0.00 0.84 0.00 0.00 57.88 58.78 2k11 h LEU 51 Cb 1.22 0.61 -0.11 0.00 0.37 0.00 0.00 40.66 42.75 2k11 h LEU 51 CO 0.70 -0.41 0.53 0.55 -0.34 0.00 0.00 178.44 179.47 2k11 n VAL 52 N -5.42 -0.22 0.26 1.05 3.14 -1.26 0.63 118.33 116.50 2k11 n VAL 52 Ca -0.03 1.34 -0.12 0.00 -2.96 0.00 0.00 64.34 62.57 2k11 n VAL 52 Cb 0.36 -2.18 -0.06 0.00 -1.06 0.00 0.00 33.84 30.90 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 -0.61 -0.92 6.55 1.82 -1.35 -2.65 116.42 119.25 2k11 h ASP 53 Ca 0.61 0.00 0.17 0.00 -0.39 0.00 0.00 57.03 57.43 2k11 h ASP 53 Cb 1.85 0.16 -0.08 0.00 0.68 0.00 0.00 39.33 41.94 2k11 h ASP 53 CO -0.41 -0.20 0.59 0.58 -1.61 0.00 0.00 179.24 178.19 2k11 h VAL 54 N -1.17 0.77 -0.08 2.25 2.07 0.27 -1.43 116.25 118.93 2k11 h VAL 54 Ca -0.07 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 2k11 h VAL 54 Cb 0.57 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2k11 h VAL 54 CO 0.12 0.12 0.05 1.56 0.02 0.00 0.00 177.57 179.44 2k11 h GLN 55 N 0.65 0.11 -0.91 1.57 4.20 -0.89 -2.15 115.11 117.69 2k11 h GLN 55 Ca 0.48 -0.01 0.26 0.00 0.06 0.00 0.00 58.65 59.44 2k11 h GLN 55 Cb 0.86 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.58 2k11 h GLN 55 CO -0.24 0.12 0.65 -0.91 -0.67 0.00 0.00 178.83 177.78 2k11 h ASN 56 N 0.08 0.02 -0.34 1.46 2.35 -0.88 -1.14 115.58 117.12 2k11 h ASN 56 Ca 0.03 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.86 2k11 h ASN 56 Cb 0.03 -0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.33 2k11 h ASN 56 CO -0.01 0.01 -0.17 0.58 -1.65 0.00 0.00 177.43 176.19 2k11 h VAL 57 N 0.02 0.48 0.00 2.81 2.07 -1.27 0.86 116.25 121.22 2k11 h VAL 57 Ca 0.43 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.95 2k11 h VAL 57 Cb 1.70 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2k11 h VAL 57 CO -0.02 0.00 0.27 0.00 0.02 0.00 0.00 177.57 177.84 2k11 n PHE 59 N -2.78 0.00 -0.08 0.00 3.72 0.11 -4.68 117.46 113.75 2k11 n PHE 59 Ca -0.02 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.28 2k11 n PHE 59 Cb 0.31 -0.06 -0.04 0.00 -0.94 0.00 0.00 39.48 38.75 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 -1.43 0.49 -4.38 -1.08 1.13 0.26 -5.04 117.38 107.34 2k11 n GLN 60 Ca 0.01 0.49 -0.19 0.00 -1.94 0.00 0.00 57.00 55.37 2k11 n GLN 60 Cb 0.22 -1.67 -0.10 0.00 0.11 0.00 0.00 30.24 28.80 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 -2.36 1.55 0.04 -1.09 2.12 0.42 -5.01 118.70 114.36 2k11 s GLU 61 Ca -0.21 -1.86 -0.09 0.00 0.36 0.00 0.00 54.97 53.17 2k11 s GLU 61 Cb 0.04 -0.47 0.00 0.00 0.26 0.00 0.00 34.13 33.96 2k11 s GLU 61 CO 0.34 -0.29 0.18 0.21 -0.54 0.00 0.00 175.26 175.16 2k11 s LYS 62 N -3.94 0.67 0.20 4.30 2.20 -1.26 -4.31 119.74 117.59 2k11 s LYS 62 Ca 0.36 -0.63 -0.09 0.00 -0.36 0.00 0.00 55.97 55.25 2k11 s LYS 62 Cb 0.07 0.27 -0.01 0.00 -1.51 0.00 0.00 37.83 36.66 2k11 s LYS 62 CO 0.15 -0.19 0.33 0.14 -0.36 0.00 0.00 175.35 175.42 2k11 s VAL 63 N -2.50 0.03 0.73 4.02 -7.23 0.56 -4.66 120.40 111.35 2k11 s VAL 63 Ca -0.06 -1.47 -0.11 0.00 -1.81 0.00 0.00 61.98 58.53 2k11 s VAL 63 Cb -0.01 -2.05 0.03 0.00 0.56 0.00 0.00 36.38 34.91 2k11 s VAL 63 CO -0.04 -0.16 1.08 -0.89 -0.31 0.00 0.00 175.10 174.79 2k11 s THR 64 N -4.01 3.61 0.45 5.32 2.01 -1.26 -2.65 115.64 119.11 2k11 s THR 64 Ca 0.22 0.54 0.05 0.00 0.31 0.00 0.00 61.69 62.81 2k11 s THR 64 Cb 0.03 -3.13 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 2k11 s THR 64 CO 0.05 -0.67 0.02 0.00 -0.69 0.00 0.00 174.62 173.33 2k11 h LYS 66 N 1.58 0.11 -0.70 0.00 3.64 -1.98 0.15 116.57 119.37 2k11 h LYS 66 Ca -0.44 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.89 2k11 h LYS 66 Cb 1.27 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 2k11 h LYS 66 CO 0.78 0.07 0.27 -0.97 -2.27 0.00 0.00 179.45 177.32 2k11 h ASN 67 N 0.11 0.98 0.00 4.20 -0.73 -2.04 -3.46 115.58 114.64 2k11 h ASN 67 Ca 0.41 -0.18 0.00 0.00 1.87 0.00 0.00 56.30 58.40 2k11 h ASN 67 Cb 0.71 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 39.04 2k11 h ASN 67 CO -0.64 0.89 0.00 0.61 -0.37 0.00 0.00 177.43 177.92 2k11 n GLY 68 N -0.83 1.86 3.69 1.57 0.00 0.53 -5.15 105.19 106.86 2k11 n GLY 68 Ca 0.05 0.00 -0.30 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 0.00 2.08 -0.05 1.61 -1.52 -1.26 -4.75 119.66 115.77 2k11 s GLN 69 Ca 0.00 -2.28 -0.00 0.00 -1.95 0.00 0.00 55.36 51.12 2k11 s GLN 69 Cb 0.00 -1.43 0.04 0.00 -0.22 0.00 0.00 33.01 31.40 2k11 s GLN 69 CO 0.00 -0.29 1.97 0.41 -0.25 0.00 0.00 175.29 177.14 2k11 n GLY 70 N -1.13 2.75 0.01 3.09 0.00 -1.26 -0.22 105.19 108.44 2k11 n GLY 70 Ca -0.13 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 1.28 0.18 -4.80 1.61 5.15 -1.25 -4.76 115.26 112.65 2k11 n ASN 71 Ca 0.05 0.37 -0.22 0.00 -0.60 0.00 0.00 54.58 54.18 2k11 n ASN 71 Cb 0.52 -0.38 -0.05 0.00 -0.53 0.00 0.00 39.78 39.33 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 -2.43 -0.45 -0.04 0.00 1.51 -0.88 -0.32 117.35 114.73 2k11 s TYR 73 Ca 0.42 0.36 0.05 0.00 -1.01 0.00 0.00 57.07 56.90 2k11 s TYR 73 Cb -0.03 0.42 -0.01 0.00 -0.11 0.00 0.00 41.96 42.24 2k11 s TYR 73 CO 0.25 -0.74 -0.21 0.15 -1.11 0.00 0.00 175.55 173.89 2k11 s LYS 74 N -3.13 2.11 0.19 -0.62 1.02 -1.26 -1.96 119.74 116.09 2k11 s LYS 74 Ca -0.02 -0.76 -0.33 0.00 0.02 0.00 0.00 55.97 54.88 2k11 s LYS 74 Cb -0.00 -1.84 -0.15 0.00 -0.52 0.00 0.00 37.83 35.33 2k11 s LYS 74 CO -0.07 0.34 1.35 -1.13 -0.92 0.00 0.00 175.35 174.92 2k11 n SER 75 N 2.96 2.22 0.24 2.83 3.41 -0.53 -4.37 113.62 120.39 2k11 n SER 75 Ca -0.17 1.13 0.11 0.00 -0.26 0.00 0.00 58.87 59.67 2k11 n SER 75 Cb 0.52 -1.33 0.56 0.00 -0.26 0.00 0.00 64.21 63.71 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 4.26 0.00 -5.08 4.04 -0.73 -1.93 -3.44 115.58 112.71 2k11 h ASN 76 Ca -0.45 0.00 0.02 0.00 1.87 0.00 0.00 56.30 57.75 2k11 h ASN 76 Cb 1.30 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.88 2k11 h ASN 76 CO 0.76 0.00 0.33 -0.44 -0.37 0.00 0.00 177.43 177.71 2k11 s SER 77 N -3.88 -0.02 1.07 1.15 0.01 -1.26 -5.11 113.70 105.66 2k11 s SER 77 Ca -0.02 -1.01 -0.12 0.00 1.31 0.00 0.00 55.95 56.11 2k11 s SER 77 Cb 0.06 0.77 0.22 0.00 0.21 0.00 0.00 66.02 67.29 2k11 s SER 77 CO 0.19 -1.53 1.00 -1.54 0.41 0.00 0.00 173.24 171.77 2k11 n SER 78 N -1.29 -1.00 -3.64 2.44 3.41 -1.26 -4.31 113.62 107.97 2k11 n SER 78 Ca -0.07 0.08 -0.15 0.00 -0.26 0.00 0.00 58.87 58.47 2k11 n SER 78 Cb 0.60 -1.33 -0.08 0.00 -0.26 0.00 0.00 64.21 63.14 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 -4.42 0.78 0.26 4.33 -1.94 0.38 -4.69 119.30 114.00 2k11 s MET 79 Ca 0.67 0.65 -0.31 0.00 -1.71 0.00 0.00 55.69 54.99 2k11 s MET 79 Cb -0.24 0.37 -0.12 0.00 2.01 0.00 0.00 34.83 36.86 2k11 s MET 79 CO 0.63 -0.14 1.65 -1.01 -0.01 0.00 0.00 175.02 176.13 2k11 s HIS 80 N -0.11 2.80 0.13 -0.03 3.76 -1.26 -1.01 115.29 119.57 2k11 s HIS 80 Ca -0.03 0.61 -0.16 0.00 -0.15 0.00 0.00 55.06 55.33 2k11 s HIS 80 Cb -0.03 -4.11 0.03 0.00 1.11 0.00 0.00 32.58 29.58 2k11 s HIS 80 CO 0.03 -3.90 0.41 0.96 -0.85 0.00 0.00 174.74 171.39 2k11 s ILE 81 N 0.43 0.07 -0.30 0.60 -0.00 -0.55 -0.63 121.20 120.82 2k11 s ILE 81 Ca 0.68 -0.59 0.03 0.00 -0.00 0.00 0.00 60.65 60.76 2k11 s ILE 81 Cb -0.49 -1.20 0.08 0.00 -0.00 0.00 0.00 42.46 40.85 2k11 s ILE 81 CO 0.42 -0.30 -0.02 -0.89 -0.00 0.00 0.00 174.94 174.16 2k11 s THR 82 N -3.81 2.09 0.65 8.37 2.01 -0.93 -2.50 115.64 121.52 2k11 s THR 82 Ca 0.04 -1.93 -0.18 0.00 0.31 0.00 0.00 61.69 59.93 2k11 s THR 82 Cb 0.02 -2.40 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 2k11 s THR 82 CO -0.11 -0.34 1.19 -0.67 -0.69 0.00 0.00 174.62 173.99 2k11 n ASP 83 N 4.39 1.63 -3.29 3.53 -0.08 -0.51 -0.46 116.55 121.75 2k11 n ASP 83 Ca -0.05 0.81 -0.07 0.00 -1.51 0.00 0.00 54.79 53.97 2k11 n ASP 83 Cb 0.42 -1.51 -0.06 0.00 2.34 0.00 0.00 41.12 42.32 2k11 n ASP 83 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k11 s ARG 85 N 2.58 1.17 0.88 0.00 3.52 -1.26 0.22 118.95 126.06 2k11 s ARG 85 Ca 0.11 -0.69 -0.14 0.00 -0.13 0.00 0.00 55.73 54.88 2k11 s ARG 85 Cb -0.13 -1.18 0.01 0.00 -1.56 0.00 0.00 34.95 32.10 2k11 s ARG 85 CO -0.27 0.31 0.44 1.28 -0.81 0.00 0.00 175.30 176.24 2k11 n LEU 86 N 2.28 0.09 -3.45 -0.88 4.77 -0.94 -0.75 117.00 118.12 2k11 n LEU 86 Ca -0.16 0.41 -0.12 0.00 -0.03 0.00 0.00 56.01 56.12 2k11 n LEU 86 Cb 0.54 -1.21 -0.02 0.00 -2.33 0.00 0.00 43.42 40.40 2k11 n LEU 86 CO 0.24 -3.48 0.47 0.42 -1.33 0.00 0.00 177.39 173.70 2k11 s THR 87 N -2.23 0.00 -1.34 -5.08 -4.23 0.54 -4.67 115.64 98.63 2k11 s THR 87 Ca 0.59 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 61.08 2k11 s THR 87 Cb -0.25 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.59 2k11 s THR 87 CO 0.64 0.00 0.28 0.59 -0.54 0.00 0.00 174.62 175.60 2k11 n ASN 88 N -0.22 -5.15 -1.57 3.99 4.13 -1.26 -2.13 115.26 113.04 2k11 n ASN 88 Ca -0.15 -0.14 -0.13 0.00 1.68 0.00 0.00 54.58 55.84 2k11 n ASN 88 Cb 0.64 -4.10 -0.04 0.00 -1.54 0.00 0.00 39.78 34.73 2k11 n ASN 88 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2k11 n GLY 89 N -1.23 0.86 3.56 7.41 0.00 -1.26 -4.87 105.19 109.67 2k11 n GLY 89 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.69 0.23 -3.56 1.61 7.64 -0.90 -5.02 113.62 112.93 2k11 n SER 90 Ca -0.13 0.82 -0.15 0.00 1.01 0.00 0.00 58.87 60.41 2k11 n SER 90 Cb 0.45 -1.31 -0.06 0.00 -1.01 0.00 0.00 64.21 62.28 2k11 n SER 90 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2k11 s ARG 91 N -2.42 1.03 0.35 1.43 1.81 -1.01 -4.85 118.95 115.28 2k11 s ARG 91 Ca 0.72 -0.05 -0.27 0.00 -1.72 0.00 0.00 55.73 54.41 2k11 s ARG 91 Cb -0.45 0.47 -0.12 0.00 -0.45 0.00 0.00 34.95 34.40 2k11 s ARG 91 CO 0.51 -0.35 1.05 0.98 -0.68 0.00 0.00 175.30 176.81 2k11 n TYR 92 N 0.64 1.40 0.28 -0.53 4.19 -1.26 0.14 117.16 122.02 2k11 n TYR 92 Ca -0.19 0.62 0.18 0.00 3.31 0.00 0.00 57.90 61.82 2k11 n TYR 92 Cb 0.59 -2.27 0.71 0.00 0.49 0.00 0.00 39.34 38.86 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 1.92 0.00 -6.94 2.98 0.13 -1.96 -3.49 132.00 124.65 2k11 h PRO 93 Ca -0.43 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.16 2k11 h PRO 93 Cb 1.33 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.57 2k11 h PRO 93 CO 0.59 0.00 0.72 0.09 -0.23 0.00 0.00 178.00 179.18 2k11 n ASN 94 N -3.08 3.53 -3.38 1.44 3.02 0.38 -4.93 115.26 112.23 2k11 n ASN 94 Ca 0.00 1.19 -0.13 0.00 -0.03 0.00 0.00 54.58 55.62 2k11 n ASN 94 Cb 0.29 -1.60 -0.09 0.00 -0.61 0.00 0.00 39.78 37.77 2k11 n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k11 s ALA 96 N 2.46 2.20 0.26 0.00 0.00 -1.26 -4.64 121.76 120.78 2k11 s ALA 96 Ca 0.10 -1.03 0.08 0.00 0.00 0.00 0.00 51.96 51.11 2k11 s ALA 96 Cb -0.15 -0.90 -0.05 0.00 0.00 0.00 0.00 23.12 22.02 2k11 s ALA 96 CO -0.22 0.12 -0.10 0.71 0.00 0.00 0.00 175.76 176.28 2k11 s TYR 97 N 0.59 1.93 -0.42 0.00 2.02 -1.26 -0.34 117.35 119.87 2k11 s TYR 97 Ca -0.13 -0.62 -0.06 0.00 -0.37 0.00 0.00 57.07 55.90 2k11 s TYR 97 Cb -0.17 -1.02 0.10 0.00 -0.40 0.00 0.00 41.96 40.48 2k11 s TYR 97 CO 0.03 0.36 0.24 1.03 -1.57 0.00 0.00 175.55 175.64 2k11 s ARG 98 N -3.68 2.30 -0.16 -0.62 0.52 0.07 -3.97 118.95 113.41 2k11 s ARG 98 Ca 0.28 -1.68 -0.29 0.00 -0.52 0.00 0.00 55.73 53.52 2k11 s ARG 98 Cb 0.01 -3.68 -0.05 0.00 0.52 0.00 0.00 34.95 31.75 2k11 s ARG 98 CO 0.11 -1.04 1.86 0.99 0.02 0.00 0.00 175.30 177.24 2k11 s THR 99 N 1.27 3.35 -0.38 0.02 2.01 -1.26 -4.01 115.64 116.64 2k11 s THR 99 Ca 0.05 0.39 -0.01 0.00 0.31 0.00 0.00 61.69 62.44 2k11 s THR 99 Cb -0.23 -3.36 0.10 0.00 0.01 0.00 0.00 72.50 69.02 2k11 s THR 99 CO -0.02 -0.15 0.14 -0.55 -0.69 0.00 0.00 174.62 173.36 2k11 s SER 100 N 5.37 5.09 -0.34 3.53 0.15 -0.90 -4.56 113.70 122.03 2k11 s SER 100 Ca 0.83 -1.99 -0.29 0.00 0.70 0.00 0.00 55.95 55.21 2k11 s SER 100 Cb -0.31 -1.76 -0.01 0.00 -1.71 0.00 0.00 66.02 62.22 2k11 s SER 100 CO 0.34 -0.47 1.69 -2.16 1.20 0.00 0.00 173.24 173.83 2k11 s PRO 101 N 1.09 3.45 0.33 5.44 0.04 -1.25 -1.42 135.00 142.68 2k11 s PRO 101 Ca 0.08 1.34 -0.04 0.00 0.04 0.00 0.00 61.00 62.42 2k11 s PRO 101 Cb -0.21 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.19 2k11 s PRO 101 CO -0.05 -1.72 0.47 0.15 0.04 0.00 0.00 177.00 175.89 2k11 s LYS 102 N 5.37 1.86 -0.21 4.56 1.02 -1.04 -5.02 119.74 126.27 2k11 s LYS 102 Ca 0.75 -1.69 -0.04 0.00 0.02 0.00 0.00 55.97 55.01 2k11 s LYS 102 Cb -0.21 0.45 0.10 0.00 -0.52 0.00 0.00 37.83 37.65 2k11 s LYS 102 CO 0.33 -0.77 0.29 -1.83 -0.92 0.00 0.00 175.35 172.45 2k11 s GLU 103 N -3.17 0.25 0.31 1.68 -1.05 -1.26 -1.48 118.70 113.98 2k11 s GLU 103 Ca 0.29 0.39 -0.13 0.00 -0.15 0.00 0.00 54.97 55.38 2k11 s GLU 103 Cb -0.00 -0.80 0.02 0.00 -0.44 0.00 0.00 34.13 32.90 2k11 s GLU 103 CO 0.18 -0.61 0.61 0.50 0.95 0.00 0.00 175.26 176.90 2k11 s ARG 104 N 2.42 1.86 1.30 -4.83 6.06 -0.18 -4.60 118.95 120.98 2k11 s ARG 104 Ca 0.08 -1.35 -0.18 0.00 -2.50 0.00 0.00 55.73 51.78 2k11 s ARG 104 Cb -0.15 0.54 0.31 0.00 0.06 0.00 0.00 34.95 35.70 2k11 s ARG 104 CO -0.13 -0.82 0.80 0.72 -2.50 0.00 0.00 175.30 173.36 2k11 n HIS 105 N -0.48 -2.49 -3.49 5.12 8.25 -1.26 -0.47 115.22 120.41 2k11 n HIS 105 Ca -0.03 -0.41 -0.15 0.00 -0.26 0.00 0.00 57.72 56.87 2k11 n HIS 105 Cb 0.61 -1.50 -0.04 0.00 1.12 0.00 0.00 29.99 30.17 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 -2.23 0.01 -0.14 1.59 -4.36 -1.26 -1.68 121.20 113.13 2k11 s ILE 106 Ca 0.64 -0.06 0.02 0.00 -0.26 0.00 0.00 60.65 60.99 2k11 s ILE 106 Cb -0.17 -1.00 0.01 0.00 1.25 0.00 0.00 42.46 42.55 2k11 s ILE 106 CO 0.59 -0.03 -0.19 -0.63 0.24 0.00 0.00 174.94 174.92 2k11 s ILE 107 N -2.55 1.87 0.12 8.37 1.09 -1.00 -1.45 121.20 127.65 2k11 s ILE 107 Ca -0.05 -0.86 0.04 0.00 -1.10 0.00 0.00 60.65 58.69 2k11 s ILE 107 Cb -0.01 -1.68 -0.04 0.00 -1.06 0.00 0.00 42.46 39.68 2k11 s ILE 107 CO -0.02 0.51 -0.11 0.68 -0.10 0.00 0.00 174.94 175.90 2k11 s VAL 108 N 0.96 1.09 -0.46 2.92 -7.23 -0.83 -2.04 120.40 114.80 2k11 s VAL 108 Ca -0.05 -1.77 -0.10 0.00 -1.81 0.00 0.00 61.98 58.25 2k11 s VAL 108 Cb -0.15 -1.53 0.10 0.00 0.56 0.00 0.00 36.38 35.36 2k11 s VAL 108 CO -0.04 -0.58 0.34 0.00 -0.31 0.00 0.00 175.10 174.51 2k11 s ALA 109 N -2.63 3.40 0.19 1.32 0.00 -0.88 -2.07 121.76 121.09 2k11 s ALA 109 Ca 0.09 -2.38 -0.08 0.00 0.00 0.00 0.00 51.96 49.60 2k11 s ALA 109 Cb -0.02 -2.83 -0.07 0.00 0.00 0.00 0.00 23.12 20.21 2k11 s ALA 109 CO 0.01 -1.82 0.48 0.00 0.00 0.00 0.00 175.76 174.43 2k11 s GLU 111 N -2.71 1.83 2.12 0.00 -6.30 -0.41 -4.85 118.70 108.38 2k11 s GLU 111 Ca 0.44 -1.17 0.00 0.00 -2.50 0.00 0.00 54.97 51.75 2k11 s GLU 111 Cb -0.12 0.52 0.00 0.00 0.00 0.00 0.00 34.13 34.53 2k11 s GLU 111 CO 0.22 -0.86 0.00 0.41 0.02 0.00 0.00 175.26 175.06 2k11 n GLY 112 N -0.59 -1.04 2.75 -1.50 0.00 -1.26 -3.54 105.19 100.02 2k11 n GLY 112 Ca -0.06 -1.22 -0.17 0.00 0.00 0.00 0.00 46.02 44.57 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 0.54 1.21 1.61 0.15 -1.26 -3.75 113.70 108.21 2k11 s SER 113 Ca 0.00 0.11 -0.17 0.00 0.70 0.00 0.00 55.95 56.59 2k11 s SER 113 Cb 0.00 -0.03 0.26 0.00 -1.71 0.00 0.00 66.02 64.53 2k11 s SER 113 CO 0.00 -0.19 0.91 -0.81 1.20 0.00 0.00 173.24 174.35 2k11 n PRO 114 N 4.75 -2.80 -2.44 5.44 -0.04 -1.26 -5.04 135.00 133.61 2k11 n PRO 114 Ca -0.16 -1.46 -0.41 0.00 -0.04 0.00 0.00 63.50 61.43 2k11 n PRO 114 Cb 0.50 -1.37 -0.03 0.00 -0.04 0.00 0.00 33.50 32.57 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 -2.66 2.23 0.07 0.54 5.04 -1.25 -4.80 117.35 116.54 2k11 s TYR 115 Ca 0.59 0.25 0.03 0.00 -2.44 0.00 0.00 57.07 55.50 2k11 s TYR 115 Cb -0.06 -4.48 -0.03 0.00 0.35 0.00 0.00 41.96 37.74 2k11 s TYR 115 CO 0.45 -2.03 -0.09 0.14 -1.34 0.00 0.00 175.55 172.68 2k11 s VAL 116 N 6.19 0.77 -0.20 3.14 -7.23 -1.23 -4.89 120.40 116.96 2k11 s VAL 116 Ca 0.45 -1.45 -0.29 0.00 -1.81 0.00 0.00 61.98 58.87 2k11 s VAL 116 Cb -0.09 -1.11 -0.03 0.00 0.56 0.00 0.00 36.38 35.71 2k11 s VAL 116 CO 0.19 -0.51 1.59 -2.16 -0.31 0.00 0.00 175.10 173.90 2k11 s PRO 117 N -2.42 3.87 -0.10 4.82 0.04 -1.26 -1.29 135.00 138.66 2k11 s PRO 117 Ca 0.00 1.71 0.14 0.00 0.04 0.00 0.00 61.00 62.89 2k11 s PRO 117 Cb -0.05 -4.01 0.41 0.00 0.04 0.00 0.00 34.50 30.89 2k11 s PRO 117 CO -0.00 -1.20 1.32 1.33 0.04 0.00 0.00 177.00 178.49 2k11 n VAL 118 N 6.22 1.75 -3.56 -0.36 0.24 -0.84 -4.76 118.33 117.03 2k11 n VAL 118 Ca 0.18 -1.56 -0.10 0.00 -2.04 0.00 0.00 64.34 60.82 2k11 n VAL 118 Cb 0.45 0.05 -0.05 0.00 -1.47 0.00 0.00 33.84 32.82 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 -2.11 -0.37 -0.07 6.34 5.65 -1.20 -4.79 115.29 118.74 2k11 s HIS 119 Ca 0.33 0.57 0.05 0.00 0.25 0.00 0.00 55.06 56.26 2k11 s HIS 119 Cb 0.24 0.47 -0.01 0.00 -1.18 0.00 0.00 32.58 32.10 2k11 s HIS 119 CO 0.10 -0.39 -0.23 0.12 -0.65 0.00 0.00 174.74 173.70 2k11 s PHE 120 N -1.50 2.50 0.00 3.88 2.19 -1.26 -2.07 117.98 121.72 2k11 s PHE 120 Ca -0.01 -0.71 0.00 0.00 0.33 0.00 0.00 56.93 56.55 2k11 s PHE 120 Cb -0.01 -1.63 0.00 0.00 -1.31 0.00 0.00 43.02 40.07 2k11 s PHE 120 CO 0.00 -0.21 0.00 -3.47 1.83 0.00 0.00 175.22 173.37 2k11 n ASP 121 N 3.01 0.00 -3.58 6.13 -0.08 -0.87 -4.97 116.55 116.18 2k11 n ASP 121 Ca -0.18 0.03 -0.08 0.00 -1.51 0.00 0.00 54.79 53.05 2k11 n ASP 121 Cb 0.52 -0.29 -0.04 0.00 2.34 0.00 0.00 41.12 43.65 2k11 n ASP 121 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k11 s ALA 122 N -3.80 -1.97 0.52 -1.67 0.00 -1.23 -5.05 121.76 108.56 2k11 s ALA 122 Ca 0.00 1.59 -0.17 0.00 0.00 0.00 0.00 51.96 53.38 2k11 s ALA 122 Cb 0.00 -0.70 -0.08 0.00 0.00 0.00 0.00 23.12 22.34 2k11 s ALA 122 CO 0.00 -0.36 0.99 -1.54 0.00 0.00 0.00 175.76 174.85 2k11 s SER 123 N -1.34 6.52 0.34 0.00 1.04 -1.26 -2.37 113.70 116.64 2k11 s SER 123 Ca 0.02 1.63 0.06 0.00 0.48 0.00 0.00 55.95 58.14 2k11 s SER 123 Cb -0.01 -2.52 -0.01 0.00 0.10 0.00 0.00 66.02 63.59 2k11 s SER 123 CO -0.02 -0.65 0.48 -0.69 0.98 0.00 0.00 173.24 173.34 2k11 s VAL 124 N -2.54 3.99 -0.25 5.02 1.01 -0.68 -4.92 120.40 122.03 2k11 s VAL 124 Ca 0.60 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 2k11 s VAL 124 Cb -0.11 -3.38 -0.16 0.00 0.00 0.00 0.00 36.38 32.73 2k11 s VAL 124 CO 0.30 -0.15 -0.17 -0.62 0.00 0.00 0.00 175.10 174.46 2k11 n GLU 125 N -1.67 0.63 -3.90 2.72 4.71 -1.26 -4.09 120.64 117.78 2k11 n GLU 125 Ca 0.01 0.24 -0.11 0.00 -0.01 0.00 0.00 57.16 57.29 2k11 n GLU 125 Cb 0.58 -1.55 -0.00 0.00 -1.01 0.00 0.00 31.44 29.46 2k11 n GLU 125 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2k11 s ASP 126 N -6.97 0.27 0.00 1.62 2.15 -1.26 -4.83 116.67 107.65 2k11 s ASP 126 Ca -0.35 -1.22 0.30 0.00 0.43 0.00 0.00 52.55 51.71 2k11 s ASP 126 Cb 0.11 0.78 1.76 0.00 -0.30 0.00 0.00 42.92 45.27 2k11 s ASP 126 CO 0.58 -1.54 2.10 -0.24 -0.17 0.00 0.00 175.17 175.90