#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 3.54 1.38 1.64 2.56 -1.26 -5.10 118.70 121.46 2k11 s GLU 2 Ca 0.00 -0.55 -0.21 0.00 0.00 0.00 0.00 54.97 54.21 2k11 s GLU 2 Cb 0.00 -3.11 0.35 0.00 2.00 0.00 0.00 34.13 33.37 2k11 s GLU 2 CO 0.00 -0.11 0.83 0.43 -0.56 0.00 0.00 175.26 175.85 2k11 n SER 3 N 4.59 -3.65 0.00 -1.70 7.64 -1.26 -4.90 113.62 114.34 2k11 n SER 3 Ca -0.17 -0.70 -0.00 0.00 1.01 0.00 0.00 58.87 59.01 2k11 n SER 3 Cb 0.51 -1.02 -0.00 0.00 -1.01 0.00 0.00 64.21 62.69 2k11 n SER 3 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2k11 h ARG 4 N -3.38 -0.02 -0.95 1.43 9.65 -2.00 -3.24 114.38 115.86 2k11 h ARG 4 Ca -0.43 0.00 0.17 0.00 -1.10 0.00 0.00 59.98 58.62 2k11 h ARG 4 Cb 1.28 0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 29.78 2k11 h ARG 4 CO 0.28 -0.02 0.60 0.00 2.80 0.00 0.00 179.97 183.64 2k11 h ALA 5 N -1.82 1.82 -0.83 2.80 0.00 -1.92 0.58 119.26 119.89 2k11 h ALA 5 Ca -0.00 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.07 2k11 h ALA 5 Cb 0.02 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 2k11 h ALA 5 CO 0.00 -0.11 0.54 0.87 0.00 0.00 0.00 179.25 180.56 2k11 h LYS 6 N 0.70 0.64 -0.27 0.00 1.57 -1.94 0.13 116.57 117.40 2k11 h LYS 6 Ca 0.50 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 59.14 2k11 h LYS 6 Cb 0.84 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2k11 h LYS 6 CO -0.26 0.42 -0.26 -0.22 -0.57 0.00 0.00 179.45 178.56 2k11 h LYS 7 N 0.66 0.54 0.00 3.15 3.64 -0.90 -2.55 116.57 121.11 2k11 h LYS 7 Ca 0.40 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 2k11 h LYS 7 Cb 0.64 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 2k11 h LYS 7 CO -0.16 0.76 -0.25 0.35 -2.27 0.00 0.00 179.45 177.87 2k11 h PHE 8 N 0.47 0.00 0.02 1.91 3.57 -0.90 -2.38 116.94 119.63 2k11 h PHE 8 Ca 0.07 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 2k11 h PHE 8 Cb 0.71 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.45 2k11 h PHE 8 CO 0.03 0.25 -0.01 1.96 -2.23 0.00 0.00 178.31 178.31 2k11 h GLN 9 N 0.00 -0.03 0.00 1.11 7.50 -0.98 -2.71 115.11 120.00 2k11 h GLN 9 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2k11 h GLN 9 Cb 0.73 0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.26 2k11 h GLN 9 CO 0.03 0.64 0.00 0.54 -1.50 0.00 0.00 178.83 178.54 2k11 n ARG 10 N -4.77 0.88 -0.00 1.46 1.74 -1.06 -2.63 116.66 112.27 2k11 n ARG 10 Ca -0.09 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 56.99 2k11 n ARG 10 Cb 0.33 -1.31 -0.00 0.00 -1.02 0.00 0.00 32.46 30.46 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 -0.81 0.03 -0.11 5.56 6.02 -0.90 -4.90 117.38 122.26 2k11 n GLN 11 Ca 0.13 0.06 -0.20 0.00 -0.01 0.00 0.00 57.00 56.99 2k11 n GLN 11 Cb 0.06 -0.61 -0.07 0.00 1.02 0.00 0.00 30.24 30.64 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 -2.57 0.20 -1.50 1.08 8.25 -1.03 -4.88 115.22 114.78 2k11 n HIS 12 Ca -0.01 0.09 -0.42 0.00 -0.26 0.00 0.00 57.72 57.12 2k11 n HIS 12 Cb 0.03 -0.83 -0.07 0.00 1.12 0.00 0.00 29.99 30.23 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 -4.37 0.82 -0.15 -0.41 2.81 -1.08 -1.63 117.12 113.11 2k11 n MET 13 Ca -0.35 0.11 0.08 0.00 -1.81 0.00 0.00 57.70 55.73 2k11 n MET 13 Cb 0.69 -2.63 0.15 0.00 -0.71 0.00 0.00 33.22 30.72 2k11 n MET 13 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2k11 n ASP 14 N 12.45 2.66 -0.23 7.83 9.92 0.10 -4.39 116.55 144.90 2k11 n ASP 14 Ca 0.46 -2.86 0.05 0.00 -0.53 0.00 0.00 54.79 51.91 2k11 n ASP 14 Cb 0.31 -0.38 0.12 0.00 -0.64 0.00 0.00 41.12 40.53 2k11 n ASP 14 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2k11 n SER 15 N -1.00 -0.19 -0.38 -2.24 3.41 0.11 0.45 113.62 113.78 2k11 n SER 15 Ca 0.15 1.10 -0.07 0.00 -0.26 0.00 0.00 58.87 59.79 2k11 n SER 15 Cb 0.63 -0.35 -0.05 0.00 -0.26 0.00 0.00 64.21 64.18 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 -4.99 -0.85 -4.76 4.04 9.92 -1.26 -4.40 116.55 114.24 2k11 n ASP 16 Ca 0.12 1.66 -0.39 0.00 -0.53 0.00 0.00 54.79 55.64 2k11 n ASP 16 Cb 0.37 -0.27 0.02 0.00 -0.64 0.00 0.00 41.12 40.60 2k11 n ASP 16 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2k11 s SER 17 N -5.42 5.65 0.59 -2.24 0.01 0.17 -4.99 113.70 107.48 2k11 s SER 17 Ca -0.12 2.82 -0.14 0.00 1.31 0.00 0.00 55.95 59.82 2k11 s SER 17 Cb 0.14 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 2k11 s SER 17 CO 0.61 -1.32 1.03 -0.44 0.41 0.00 0.00 173.24 173.54 2k11 s SER 18 N -0.74 6.04 0.80 2.44 0.01 -1.26 -4.86 113.70 116.13 2k11 s SER 18 Ca 0.65 1.65 0.00 0.00 1.31 0.00 0.00 55.95 59.56 2k11 s SER 18 Cb -0.41 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.31 2k11 s SER 18 CO 0.51 -0.99 0.00 -0.81 0.41 0.00 0.00 173.24 172.37 2k11 n PRO 19 N -2.18 -0.61 -3.04 12.44 -0.04 -1.26 -4.62 135.00 135.69 2k11 n PRO 19 Ca 0.07 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.41 2k11 n PRO 19 Cb 0.53 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.06 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 -2.39 -2.63 -4.38 3.54 2.88 -1.26 -4.97 113.62 104.40 2k11 n SER 20 Ca 0.00 -0.42 -0.45 0.00 -1.33 0.00 0.00 58.87 56.68 2k11 n SER 20 Cb 0.00 -3.68 -0.05 0.00 -0.75 0.00 0.00 64.21 59.73 2k11 n SER 20 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2k11 s SER 21 N -3.79 6.19 -0.02 -3.46 0.01 -1.26 -4.80 113.70 106.56 2k11 s SER 21 Ca 0.08 -1.34 0.01 0.00 1.31 0.00 0.00 55.95 56.01 2k11 s SER 21 Cb -0.04 -2.27 -0.02 0.00 0.21 0.00 0.00 66.02 63.90 2k11 s SER 21 CO 0.50 -0.97 -0.02 -1.54 0.41 0.00 0.00 173.24 171.63 2k11 n SER 22 N 6.00 3.94 -2.89 2.44 3.41 -1.26 -2.82 113.62 122.43 2k11 n SER 22 Ca -0.10 -0.01 -0.08 0.00 -0.26 0.00 0.00 58.87 58.42 2k11 n SER 22 Cb 0.43 0.08 0.07 0.00 -0.26 0.00 0.00 64.21 64.53 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 -1.78 0.00 4.04 7.64 -1.26 -4.47 113.62 115.32 2k11 n SER 23 Ca -0.04 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 59.32 2k11 n SER 23 Cb 0.55 -0.28 0.01 0.00 -1.01 0.00 0.00 64.21 63.49 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 -3.39 0.00 -0.20 0.44 -2.24 -1.26 -3.94 114.28 103.70 2k11 n THR 24 Ca 0.04 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.97 2k11 n THR 24 Cb 0.16 -0.54 0.28 0.00 -2.10 0.00 0.00 70.33 68.13 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 -0.58 0.56 0.16 4.78 9.36 -1.26 0.66 117.16 130.85 2k11 n TYR 25 Ca 0.00 0.71 -0.09 0.00 3.32 0.00 0.00 57.90 61.84 2k11 n TYR 25 Cb 0.00 -1.06 -0.05 0.00 -0.63 0.00 0.00 39.34 37.60 2k11 n TYR 25 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2k11 n ASN 27 N -5.11 -0.14 -0.07 0.00 2.85 0.21 -1.00 115.26 112.01 2k11 n ASN 27 Ca -0.07 1.03 -0.05 0.00 -0.11 0.00 0.00 54.58 55.38 2k11 n ASN 27 Cb 0.23 -0.35 -0.03 0.00 1.24 0.00 0.00 39.78 40.88 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 -0.57 1.20 7.50 -1.52 -3.33 115.11 118.39 2k11 h GLN 28 Ca 0.33 0.00 0.05 0.00 0.50 0.00 0.00 58.65 59.53 2k11 h GLN 28 Cb 0.61 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 28.08 2k11 h GLN 28 CO -0.59 0.16 -0.34 -1.33 -1.50 0.00 0.00 178.83 175.23 2k11 n MET 29 N -4.67 -0.25 -0.28 1.46 2.81 0.43 0.24 117.12 116.87 2k11 n MET 29 Ca -0.07 0.89 0.08 0.00 -1.81 0.00 0.00 57.70 56.79 2k11 n MET 29 Cb 0.21 -1.31 0.23 0.00 -0.71 0.00 0.00 33.22 31.63 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 0.46 0.08 0.03 2.86 -1.27 -1.41 114.93 115.68 2k11 h MET 30 Ca 0.09 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2k11 h MET 30 Cb 0.23 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.79 2k11 h MET 30 CO -0.54 0.30 -0.04 -0.09 1.06 0.00 0.00 176.91 177.61 2k11 h ARG 31 N 0.47 -0.10 -0.57 1.72 2.43 0.30 -2.35 114.38 116.28 2k11 h ARG 31 Ca 0.46 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.80 2k11 h ARG 31 Cb 0.75 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 2k11 h ARG 31 CO -0.43 0.05 0.49 -0.09 -1.51 0.00 0.00 179.97 178.48 2k11 h ARG 32 N -0.23 0.00 -0.32 0.20 1.12 0.21 0.73 114.38 116.08 2k11 h ARG 32 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 2k11 h ARG 32 Cb 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.16 2k11 h ARG 32 CO 0.02 0.00 0.00 0.54 -3.11 0.00 0.00 179.97 177.42 2k11 n ARG 33 N -3.99 1.27 -3.51 0.20 5.12 -0.79 -4.87 116.66 110.09 2k11 n ARG 33 Ca 0.11 -0.33 -0.19 0.00 -1.93 0.00 0.00 57.85 55.50 2k11 n ARG 33 Cb 0.71 -1.21 0.08 0.00 -1.16 0.00 0.00 32.46 30.88 2k11 n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2k11 n ASN 34 N -0.16 -2.74 -0.03 0.55 5.15 0.25 -4.92 115.26 113.38 2k11 n ASN 34 Ca 0.03 -0.64 0.01 0.00 -0.60 0.00 0.00 54.58 53.38 2k11 n ASN 34 Cb 0.15 -4.92 -0.09 0.00 -0.53 0.00 0.00 39.78 34.39 2k11 n ASN 34 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 2k11 n MET 35 N -4.32 1.12 -0.52 1.20 2.81 -1.11 -4.44 117.12 111.85 2k11 n MET 35 Ca -0.23 -0.07 0.06 0.00 -1.81 0.00 0.00 57.70 55.65 2k11 n MET 35 Cb 0.65 -1.30 0.27 0.00 -0.71 0.00 0.00 33.22 32.14 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 -2.14 1.56 -2.67 2.03 -2.24 -1.26 -4.33 114.28 105.23 2k11 n THR 36 Ca -0.09 -0.91 -0.43 0.00 -2.27 0.00 0.00 64.05 60.35 2k11 n THR 36 Cb 0.56 -0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.65 2k11 n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2k11 s GLN 37 N -1.94 3.61 0.00 -0.78 -0.21 -1.26 -3.91 119.66 115.17 2k11 s GLN 37 Ca 0.38 0.35 0.00 0.00 0.02 0.00 0.00 55.36 56.11 2k11 s GLN 37 Cb 0.26 -3.94 0.00 0.00 1.00 0.00 0.00 33.01 30.33 2k11 s GLN 37 CO 0.16 -1.40 0.00 0.41 -2.12 0.00 0.00 175.29 172.34 2k11 n GLY 38 N 4.93 2.98 3.14 3.09 0.00 -1.26 -4.97 105.19 113.10 2k11 n GLY 38 Ca 0.09 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 2k11 n GLY 38 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k11 s ARG 39 N 0.00 0.56 -0.37 1.61 1.70 -1.25 -5.12 118.95 116.07 2k11 s ARG 39 Ca 0.00 -0.47 -0.29 0.00 -0.47 0.00 0.00 55.73 54.50 2k11 s ARG 39 Cb 0.00 0.23 0.02 0.00 -0.57 0.00 0.00 34.95 34.63 2k11 s ARG 39 CO 0.00 -0.14 1.13 0.00 -1.08 0.00 0.00 175.30 175.21 2k11 n LYS 41 N 7.27 1.68 -0.02 0.00 3.00 -1.26 -4.91 118.16 123.93 2k11 n LYS 41 Ca 0.12 0.60 -0.13 0.00 -0.00 0.00 0.00 58.31 58.91 2k11 n LYS 41 Cb 0.48 -2.29 -0.10 0.00 0.00 0.00 0.00 35.03 33.12 2k11 n LYS 41 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2k11 h PRO 42 N 4.97 0.02 -3.17 1.64 0.13 -1.96 -3.42 132.00 130.21 2k11 h PRO 42 Ca -0.46 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2k11 h PRO 42 Cb 1.29 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.32 2k11 h PRO 42 CO 0.81 0.50 0.11 0.08 -0.23 0.00 0.00 178.00 179.28 2k11 s VAL 43 N -4.25 0.02 0.17 1.56 1.01 -1.26 -1.24 120.40 116.41 2k11 s VAL 43 Ca -0.16 -0.56 -0.23 0.00 0.00 0.00 0.00 61.98 61.03 2k11 s VAL 43 Cb 0.02 -1.44 0.08 0.00 0.00 0.00 0.00 36.38 35.03 2k11 s VAL 43 CO 0.68 -0.07 1.04 0.21 0.00 0.00 0.00 175.10 176.96 2k11 s ASN 44 N -2.84 -0.01 -0.15 3.32 3.84 0.32 -4.97 114.94 114.44 2k11 s ASN 44 Ca 0.07 -0.63 -0.07 0.00 0.21 0.00 0.00 52.86 52.44 2k11 s ASN 44 Cb -0.02 0.48 0.06 0.00 -0.55 0.00 0.00 41.25 41.23 2k11 s ASN 44 CO -0.05 -0.95 0.35 -0.89 -2.79 0.00 0.00 177.10 172.77 2k11 s THR 45 N -2.26 -0.21 0.61 -5.21 2.01 -1.26 -1.86 115.64 107.46 2k11 s THR 45 Ca 0.21 0.15 0.06 0.00 0.31 0.00 0.00 61.69 62.42 2k11 s THR 45 Cb -0.02 -0.54 0.11 0.00 0.01 0.00 0.00 72.50 72.06 2k11 s THR 45 CO 0.05 0.06 0.85 0.49 -0.69 0.00 0.00 174.62 175.38 2k11 n PHE 46 N 4.65 -2.54 -3.76 4.92 3.72 -0.86 -4.53 117.46 119.06 2k11 n PHE 46 Ca -0.18 -1.93 -0.13 0.00 -0.05 0.00 0.00 57.45 55.16 2k11 n PHE 46 Cb 0.53 -0.60 -0.11 0.00 -0.94 0.00 0.00 39.48 38.36 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 -2.67 0.00 -1.41 -4.37 1.01 -0.65 -2.93 120.40 109.38 2k11 s VAL 47 Ca 0.61 -0.00 0.18 0.00 0.00 0.00 0.00 61.98 62.77 2k11 s VAL 47 Cb -0.04 -0.45 -0.06 0.00 0.00 0.00 0.00 36.38 35.82 2k11 s VAL 47 CO 0.39 -0.00 0.88 1.41 0.00 0.00 0.00 175.10 177.78 2k11 n HIS 48 N 2.91 0.00 -3.37 5.22 8.25 -0.73 0.07 115.22 127.56 2k11 n HIS 48 Ca -0.13 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.99 2k11 n HIS 48 Cb 0.58 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.63 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 -2.28 3.93 0.40 -0.41 8.01 -1.25 -4.30 118.70 122.81 2k11 s GLU 49 Ca 0.12 0.44 -0.25 0.00 0.01 0.00 0.00 54.97 55.29 2k11 s GLU 49 Cb 0.14 -2.84 -0.08 0.00 -4.31 0.00 0.00 34.13 27.04 2k11 s GLU 49 CO 0.54 0.43 1.19 -1.25 0.01 0.00 0.00 175.26 176.18 2k11 s PRO 50 N -2.21 4.03 0.12 0.39 0.04 -1.26 -4.17 135.00 131.94 2k11 s PRO 50 Ca 0.41 1.88 -0.27 0.00 0.04 0.00 0.00 61.00 63.05 2k11 s PRO 50 Cb -0.14 -2.68 -0.08 0.00 0.04 0.00 0.00 34.50 31.64 2k11 s PRO 50 CO 0.20 -0.35 1.46 1.25 0.04 0.00 0.00 177.00 179.59 2k11 h LEU 51 N 2.62 -1.67 -0.72 -3.56 5.85 -1.98 0.21 115.31 116.06 2k11 h LEU 51 Ca -0.49 0.23 0.27 0.00 0.84 0.00 0.00 57.88 58.74 2k11 h LEU 51 Cb 1.24 0.71 -0.10 0.00 0.37 0.00 0.00 40.66 42.87 2k11 h LEU 51 CO 0.62 -0.29 0.43 0.55 -0.34 0.00 0.00 178.44 179.41 2k11 n VAL 52 N -4.94 -0.21 0.31 1.05 3.14 -1.26 0.98 118.33 117.40 2k11 n VAL 52 Ca -0.01 1.17 -0.13 0.00 -2.96 0.00 0.00 64.34 62.41 2k11 n VAL 52 Cb 0.26 -1.91 -0.06 0.00 -1.06 0.00 0.00 33.84 31.07 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 -0.71 -0.99 6.55 1.82 -0.94 -2.99 116.42 119.16 2k11 h ASP 53 Ca 0.53 0.02 0.10 0.00 -0.39 0.00 0.00 57.03 57.29 2k11 h ASP 53 Cb 1.54 0.18 -0.08 0.00 0.68 0.00 0.00 39.33 41.66 2k11 h ASP 53 CO -0.38 -0.32 0.63 0.58 -1.61 0.00 0.00 179.24 178.14 2k11 h VAL 54 N -1.21 0.97 -0.42 2.25 2.07 0.70 -2.14 116.25 118.47 2k11 h VAL 54 Ca -0.09 -0.35 0.08 0.00 0.82 0.00 0.00 66.70 67.17 2k11 h VAL 54 Cb 0.65 -0.15 -0.08 0.00 -1.52 0.00 0.00 31.29 30.19 2k11 h VAL 54 CO 0.14 0.19 -0.10 1.56 0.02 0.00 0.00 177.57 179.38 2k11 h GLN 55 N 1.03 0.01 -1.27 1.57 4.20 -0.85 0.91 115.11 120.71 2k11 h GLN 55 Ca 0.47 -0.00 0.37 0.00 0.06 0.00 0.00 58.65 59.55 2k11 h GLN 55 Cb 0.40 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.12 2k11 h GLN 55 CO -0.23 0.00 0.90 -0.91 -0.67 0.00 0.00 178.83 177.93 2k11 h ASN 56 N 0.01 0.07 -0.76 1.46 2.35 -1.23 0.34 115.58 117.81 2k11 h ASN 56 Ca 0.20 0.02 0.06 0.00 -0.55 0.00 0.00 56.30 56.03 2k11 h ASN 56 Cb 0.31 0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.63 2k11 h ASN 56 CO -0.43 0.00 0.45 0.58 -1.65 0.00 0.00 177.43 176.38 2k11 h VAL 57 N 0.06 1.00 0.00 2.81 2.07 -0.88 1.10 116.25 122.41 2k11 h VAL 57 Ca 0.63 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.87 2k11 h VAL 57 Cb 2.38 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 2k11 h VAL 57 CO -0.07 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.67 2k11 n PHE 59 N -1.93 0.00 -0.01 0.00 3.72 0.39 -4.81 117.46 114.82 2k11 n PHE 59 Ca 0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.40 2k11 n PHE 59 Cb 0.12 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.66 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 -0.64 0.06 -4.65 -1.08 1.13 0.35 -5.06 117.38 107.49 2k11 n GLN 60 Ca 0.01 0.25 -0.30 0.00 -1.94 0.00 0.00 57.00 55.02 2k11 n GLN 60 Cb 0.04 -0.83 -0.08 0.00 0.11 0.00 0.00 30.24 29.48 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 -1.17 2.08 0.10 -1.09 2.12 -0.96 -5.07 118.70 114.72 2k11 s GLU 61 Ca -0.02 -2.30 -0.05 0.00 0.36 0.00 0.00 54.97 52.96 2k11 s GLU 61 Cb 0.00 -1.14 -0.02 0.00 0.26 0.00 0.00 34.13 33.24 2k11 s GLU 61 CO 0.03 -0.40 0.13 0.15 -0.54 0.00 0.00 175.26 174.63 2k11 s LYS 62 N -3.80 0.87 0.24 4.30 1.02 -1.26 -4.44 119.74 116.66 2k11 s LYS 62 Ca 0.14 -1.15 -0.06 0.00 0.02 0.00 0.00 55.97 54.92 2k11 s LYS 62 Cb 0.02 0.30 -0.02 0.00 -0.52 0.00 0.00 37.83 37.61 2k11 s LYS 62 CO 0.08 -0.26 0.31 0.14 -0.92 0.00 0.00 175.35 174.70 2k11 s VAL 63 N -3.93 0.00 0.37 3.17 -7.23 0.18 -4.66 120.40 108.30 2k11 s VAL 63 Ca 0.11 -1.72 0.01 0.00 -1.81 0.00 0.00 61.98 58.57 2k11 s VAL 63 Cb 0.06 -2.39 -0.02 0.00 0.56 0.00 0.00 36.38 34.59 2k11 s VAL 63 CO -0.06 0.00 0.57 -0.89 -0.31 0.00 0.00 175.10 174.41 2k11 s THR 64 N -3.98 4.79 0.22 5.32 2.01 -1.26 -4.21 115.64 118.54 2k11 s THR 64 Ca 0.31 -0.50 -0.00 0.00 0.31 0.00 0.00 61.69 61.82 2k11 s THR 64 Cb 0.03 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 2k11 s THR 64 CO 0.12 -0.49 0.12 0.00 -0.69 0.00 0.00 174.62 173.68 2k11 h LYS 66 N 2.53 -0.04 0.00 0.00 3.64 -2.00 1.58 116.57 122.29 2k11 h LYS 66 Ca -0.37 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.01 2k11 h LYS 66 Cb 1.25 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2k11 h LYS 66 CO 0.56 -0.03 -0.05 -0.97 -2.27 0.00 0.00 179.45 176.69 2k11 h ASN 67 N -0.04 0.00 0.00 4.20 -1.24 -2.04 -3.45 115.58 113.00 2k11 h ASN 67 Ca 0.31 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.32 2k11 h ASN 67 Cb 0.58 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.63 2k11 h ASN 67 CO -0.91 0.05 0.00 0.61 -1.29 0.00 0.00 177.43 175.89 2k11 n GLY 68 N -1.13 0.91 3.88 1.57 0.00 0.54 -5.09 105.19 105.86 2k11 n GLY 68 Ca -0.03 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.76 2.68 -0.45 1.61 -0.21 -1.26 -4.75 119.66 116.53 2k11 s GLN 69 Ca 0.00 -1.37 -0.01 0.00 0.02 0.00 0.00 55.36 54.00 2k11 s GLN 69 Cb 0.00 -2.48 0.30 0.00 1.00 0.00 0.00 33.01 31.84 2k11 s GLN 69 CO 0.00 -0.05 2.02 0.41 -2.12 0.00 0.00 175.29 175.56 2k11 n GLY 70 N -1.49 4.76 0.22 3.09 0.00 -1.26 -3.01 105.19 107.51 2k11 n GLY 70 Ca 0.01 -1.55 0.13 0.00 0.00 0.00 0.00 46.02 44.61 2k11 n GLY 70 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2k11 h ASN 71 N 1.67 0.00 -3.01 1.61 -1.24 -1.89 -3.45 115.58 109.27 2k11 h ASN 71 Ca 0.41 0.00 -0.64 0.00 0.71 0.00 0.00 56.30 56.78 2k11 h ASN 71 Cb 0.88 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 39.86 2k11 h ASN 71 CO 1.07 0.00 -0.55 0.00 -1.29 0.00 0.00 177.43 176.67 2k11 s TYR 73 N -1.30 0.19 -0.09 0.00 1.51 -0.09 -0.65 117.35 116.93 2k11 s TYR 73 Ca 0.27 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 2k11 s TYR 73 Cb -0.12 -0.15 -0.03 0.00 -0.11 0.00 0.00 41.96 41.55 2k11 s TYR 73 CO 0.18 -0.22 -0.07 0.15 -1.11 0.00 0.00 175.55 174.48 2k11 s LYS 74 N -1.42 2.93 0.31 -0.62 1.02 -1.26 -2.17 119.74 118.52 2k11 s LYS 74 Ca -0.15 -0.56 -0.29 0.00 0.02 0.00 0.00 55.97 54.98 2k11 s LYS 74 Cb -0.09 -2.63 -0.12 0.00 -0.52 0.00 0.00 37.83 34.46 2k11 s LYS 74 CO -0.00 0.56 1.41 -1.13 -0.92 0.00 0.00 175.35 175.27 2k11 n SER 75 N 2.54 3.13 0.00 2.83 3.41 -0.79 -4.41 113.62 120.33 2k11 n SER 75 Ca -0.18 1.18 0.02 0.00 -0.26 0.00 0.00 58.87 59.63 2k11 n SER 75 Cb 0.53 -1.51 0.10 0.00 -0.26 0.00 0.00 64.21 63.07 2k11 n SER 75 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2k11 n ASN 76 N 1.40 0.00 -3.49 4.04 2.85 -1.26 -4.75 115.26 114.05 2k11 n ASN 76 Ca 0.07 0.33 -0.05 0.00 -0.11 0.00 0.00 54.58 54.82 2k11 n ASN 76 Cb 0.35 -0.36 0.00 0.00 1.24 0.00 0.00 39.78 41.01 2k11 n ASN 76 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2k11 s SER 77 N -2.73 -0.09 1.12 1.20 0.15 -1.26 -5.15 113.70 106.94 2k11 s SER 77 Ca 0.03 -0.65 -0.19 0.00 0.70 0.00 0.00 55.95 55.85 2k11 s SER 77 Cb 0.03 0.58 0.10 0.00 -1.71 0.00 0.00 66.02 65.02 2k11 s SER 77 CO 0.07 -1.12 -0.01 -1.54 1.20 0.00 0.00 173.24 171.84 2k11 n SER 78 N -0.89 -2.37 -3.65 5.45 3.41 -1.26 -4.28 113.62 110.03 2k11 n SER 78 Ca -0.05 -0.13 -0.08 0.00 -0.26 0.00 0.00 58.87 58.35 2k11 n SER 78 Cb 0.60 -0.95 -0.08 0.00 -0.26 0.00 0.00 64.21 63.52 2k11 n SER 78 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2k11 s MET 79 N -3.43 0.64 0.23 4.33 1.75 -0.16 -4.62 119.30 118.04 2k11 s MET 79 Ca 0.56 1.11 -0.32 0.00 -1.25 0.00 0.00 55.69 55.79 2k11 s MET 79 Cb -0.11 0.12 -0.12 0.00 2.84 0.00 0.00 34.83 37.55 2k11 s MET 79 CO 0.66 -0.15 1.67 0.72 -0.65 0.00 0.00 175.02 177.27 2k11 n HIS 80 N 4.19 2.73 -3.53 4.11 8.25 -1.26 -1.56 115.22 128.15 2k11 n HIS 80 Ca -0.20 0.13 -0.11 0.00 -0.26 0.00 0.00 57.72 57.27 2k11 n HIS 80 Cb 0.58 -2.64 -0.03 0.00 1.12 0.00 0.00 29.99 29.02 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 0.79 0.04 -0.32 1.59 -0.00 -0.94 -1.78 121.20 120.57 2k11 s ILE 81 Ca 0.72 -0.31 0.03 0.00 -0.00 0.00 0.00 60.65 61.09 2k11 s ILE 81 Cb -0.52 -1.09 0.09 0.00 -0.00 0.00 0.00 42.46 40.94 2k11 s ILE 81 CO 0.38 -0.17 0.03 -0.89 -0.00 0.00 0.00 174.94 174.28 2k11 s THR 82 N -3.78 2.05 0.27 8.37 2.01 -1.15 -2.96 115.64 120.46 2k11 s THR 82 Ca 0.02 -2.07 -0.31 0.00 0.31 0.00 0.00 61.69 59.65 2k11 s THR 82 Cb 0.01 -2.46 -0.12 0.00 0.01 0.00 0.00 72.50 69.94 2k11 s THR 82 CO -0.12 -0.50 1.64 -1.81 -0.69 0.00 0.00 174.62 173.14 2k11 s ASP 83 N 1.04 6.35 -0.28 3.53 1.11 -0.87 -2.02 116.67 125.53 2k11 s ASP 83 Ca 0.07 2.95 -0.02 0.00 0.18 0.00 0.00 52.55 55.72 2k11 s ASP 83 Cb -0.19 -2.63 0.09 0.00 1.07 0.00 0.00 42.92 41.27 2k11 s ASP 83 CO -0.09 -0.95 0.10 0.00 1.18 0.00 0.00 175.17 175.41 2k11 s ARG 85 N 1.86 1.03 0.33 0.00 3.52 -1.18 0.12 118.95 124.63 2k11 s ARG 85 Ca 0.07 -0.36 -0.27 0.00 -0.13 0.00 0.00 55.73 55.04 2k11 s ARG 85 Cb -0.17 -0.96 -0.13 0.00 -1.56 0.00 0.00 34.95 32.14 2k11 s ARG 85 CO -0.26 0.16 1.07 1.28 -0.81 0.00 0.00 175.30 176.74 2k11 n LEU 86 N 3.15 2.40 -4.90 -0.88 4.77 -0.37 0.17 117.00 121.35 2k11 n LEU 86 Ca -0.17 1.15 -0.32 0.00 -0.03 0.00 0.00 56.01 56.64 2k11 n LEU 86 Cb 0.55 -1.35 -0.05 0.00 -2.33 0.00 0.00 43.42 40.24 2k11 n LEU 86 CO 0.25 -1.20 0.01 0.42 -1.33 0.00 0.00 177.39 175.53 2k11 s THR 87 N -1.12 5.19 -0.62 -5.08 -4.23 -1.10 -4.71 115.64 103.97 2k11 s THR 87 Ca 0.59 0.04 -0.29 0.00 -1.18 0.00 0.00 61.69 60.84 2k11 s THR 87 Cb -0.63 -3.62 -0.12 0.00 1.34 0.00 0.00 72.50 69.46 2k11 s THR 87 CO 0.60 0.10 2.46 0.59 -0.54 0.00 0.00 174.62 177.83 2k11 n ASN 88 N 0.27 1.66 0.00 3.99 3.02 -1.26 -0.56 115.26 122.38 2k11 n ASN 88 Ca -0.04 -0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 2k11 n ASN 88 Cb 0.52 -1.32 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 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 6.26 2.92 3.59 7.41 0.00 -1.26 -5.07 105.19 119.04 2k11 n GLY 89 Ca 0.47 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.15 5.70 0.11 1.61 1.04 0.28 -4.95 113.70 117.33 2k11 s SER 90 Ca 0.00 1.15 0.01 0.00 0.48 0.00 0.00 55.95 57.59 2k11 s SER 90 Cb 0.00 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 2k11 s SER 90 CO 0.00 -1.89 -0.03 -0.60 0.98 0.00 0.00 173.24 171.70 2k11 s ARG 91 N 6.05 0.85 0.24 4.02 3.00 -0.12 -4.62 118.95 128.38 2k11 s ARG 91 Ca 0.79 -1.36 -0.31 0.00 -1.00 0.00 0.00 55.73 53.85 2k11 s ARG 91 Cb -0.21 -0.07 -0.14 0.00 0.00 0.00 0.00 34.95 34.53 2k11 s ARG 91 CO 0.31 -0.09 1.24 0.98 0.00 0.00 0.00 175.30 177.74 2k11 n TYR 92 N -0.06 1.73 0.24 5.12 4.19 -1.26 0.31 117.16 127.44 2k11 n TYR 92 Ca -0.11 0.57 0.12 0.00 3.31 0.00 0.00 57.90 61.80 2k11 n TYR 92 Cb 0.62 -2.36 0.56 0.00 0.49 0.00 0.00 39.34 38.64 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 3.36 0.00 -6.23 2.98 0.13 -2.00 -3.50 132.00 126.74 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 0.02 0.00 0.13 0.00 0.00 31.00 32.46 2k11 h PRO 93 CO 0.70 0.17 1.09 0.09 -0.23 0.00 0.00 178.00 179.82 2k11 n ASN 94 N -3.40 3.22 -0.24 1.44 5.03 0.93 -4.84 115.26 117.41 2k11 n ASN 94 Ca -0.00 0.95 0.08 0.00 0.87 0.00 0.00 54.58 56.48 2k11 n ASN 94 Cb 0.37 -1.33 0.14 0.00 -1.02 0.00 0.00 39.78 37.94 2k11 n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k11 n ALA 96 N -1.03 0.52 -2.00 0.00 0.00 -1.26 -4.67 120.51 112.06 2k11 n ALA 96 Ca 0.14 -0.40 -0.23 0.00 0.00 0.00 0.00 53.44 52.95 2k11 n ALA 96 Cb 0.62 -2.55 0.12 0.00 0.00 0.00 0.00 19.45 17.63 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 9.47 1.24 -0.41 0.00 2.02 -1.26 -2.72 117.35 125.68 2k11 s TYR 97 Ca 1.21 -0.43 -0.08 0.00 -0.37 0.00 0.00 57.07 57.40 2k11 s TYR 97 Cb -0.92 -2.91 0.08 0.00 -0.40 0.00 0.00 41.96 37.81 2k11 s TYR 97 CO 0.44 -1.81 0.24 0.50 -1.57 0.00 0.00 175.55 173.35 2k11 s ARG 98 N -5.15 2.51 -0.68 -0.62 3.00 0.45 -4.57 118.95 113.90 2k11 s ARG 98 Ca 0.68 -1.52 -0.27 0.00 -1.00 0.00 0.00 55.73 53.62 2k11 s ARG 98 Cb -0.04 -3.73 0.03 0.00 0.00 0.00 0.00 34.95 31.21 2k11 s ARG 98 CO 0.45 -0.97 1.21 0.99 0.00 0.00 0.00 175.30 176.98 2k11 s THR 99 N 1.38 3.89 -0.45 4.11 2.01 -1.25 -3.09 115.64 122.23 2k11 s THR 99 Ca 0.03 0.47 -0.07 0.00 0.31 0.00 0.00 61.69 62.44 2k11 s THR 99 Cb -0.23 -4.83 0.12 0.00 0.01 0.00 0.00 72.50 67.57 2k11 s THR 99 CO 0.01 -1.64 0.29 -0.44 -0.69 0.00 0.00 174.62 172.15 2k11 s SER 100 N 3.47 5.52 -0.39 3.53 0.01 -0.45 -4.53 113.70 120.87 2k11 s SER 100 Ca 0.36 -1.96 -0.28 0.00 1.31 0.00 0.00 55.95 55.38 2k11 s SER 100 Cb -0.09 -1.94 -0.01 0.00 0.21 0.00 0.00 66.02 64.19 2k11 s SER 100 CO 0.18 -0.63 1.73 -2.16 0.41 0.00 0.00 173.24 172.76 2k11 s PRO 101 N 1.27 3.27 0.10 12.44 0.04 -1.13 -2.04 135.00 148.95 2k11 s PRO 101 Ca 0.07 1.19 -0.12 0.00 0.04 0.00 0.00 61.00 62.18 2k11 s PRO 101 Cb -0.25 -4.19 0.02 0.00 0.04 0.00 0.00 34.50 30.12 2k11 s PRO 101 CO -0.02 -1.93 0.29 0.15 0.04 0.00 0.00 177.00 175.53 2k11 s LYS 102 N 5.72 0.93 -0.13 4.56 -0.14 -1.16 -5.01 119.74 124.51 2k11 s LYS 102 Ca 0.74 -0.79 -0.01 0.00 -1.36 0.00 0.00 55.97 54.55 2k11 s LYS 102 Cb -0.19 0.39 0.03 0.00 -1.68 0.00 0.00 37.83 36.39 2k11 s LYS 102 CO 0.31 -0.33 -0.05 -1.83 -0.76 0.00 0.00 175.35 172.70 2k11 s GLU 103 N -3.63 1.34 0.25 1.68 -1.05 -1.26 -2.22 118.70 113.80 2k11 s GLU 103 Ca 0.03 -0.33 -0.20 0.00 -0.15 0.00 0.00 54.97 54.32 2k11 s GLU 103 Cb 0.03 -1.72 0.02 0.00 -0.44 0.00 0.00 34.13 32.02 2k11 s GLU 103 CO -0.10 -0.36 0.66 0.50 0.95 0.00 0.00 175.26 176.90 2k11 s ARG 104 N 1.72 1.66 1.11 -4.83 6.06 -0.60 -4.66 118.95 119.41 2k11 s ARG 104 Ca 0.03 -0.95 -0.17 0.00 -2.50 0.00 0.00 55.73 52.15 2k11 s ARG 104 Cb -0.14 0.58 0.18 0.00 0.06 0.00 0.00 34.95 35.63 2k11 s ARG 104 CO -0.08 -0.74 0.29 0.72 -2.50 0.00 0.00 175.30 172.99 2k11 n HIS 105 N -0.43 -2.21 -3.63 5.12 8.25 -1.26 -0.99 115.22 120.07 2k11 n HIS 105 Ca -0.06 -0.07 -0.10 0.00 -0.26 0.00 0.00 57.72 57.23 2k11 n HIS 105 Cb 0.60 -1.44 -0.04 0.00 1.12 0.00 0.00 29.99 30.24 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 -2.14 0.04 -0.12 1.59 -4.36 -1.26 -1.77 121.20 113.18 2k11 s ILE 106 Ca 0.47 -0.54 -0.01 0.00 -0.26 0.00 0.00 60.65 60.31 2k11 s ILE 106 Cb -0.09 -1.31 0.03 0.00 1.25 0.00 0.00 42.46 42.34 2k11 s ILE 106 CO 0.48 -0.16 -0.04 -0.63 0.24 0.00 0.00 174.94 174.82 2k11 s ILE 107 N -3.82 0.85 0.26 8.37 1.09 -0.95 -1.89 121.20 125.12 2k11 s ILE 107 Ca 0.05 -0.28 0.06 0.00 -1.10 0.00 0.00 60.65 59.38 2k11 s ILE 107 Cb -0.00 -0.97 -0.05 0.00 -1.06 0.00 0.00 42.46 40.37 2k11 s ILE 107 CO -0.08 0.25 -0.05 0.68 -0.10 0.00 0.00 174.94 175.64 2k11 s VAL 108 N 1.77 1.45 -0.40 2.92 -7.23 -0.92 -2.39 120.40 115.60 2k11 s VAL 108 Ca 0.04 -2.10 -0.04 0.00 -1.81 0.00 0.00 61.98 58.07 2k11 s VAL 108 Cb -0.13 -2.38 0.10 0.00 0.56 0.00 0.00 36.38 34.53 2k11 s VAL 108 CO -0.07 -0.34 0.20 0.00 -0.31 0.00 0.00 175.10 174.58 2k11 s ALA 109 N -3.14 3.15 0.17 1.32 0.00 -0.25 -0.91 121.76 122.11 2k11 s ALA 109 Ca 0.28 -2.38 -0.15 0.00 0.00 0.00 0.00 51.96 49.72 2k11 s ALA 109 Cb 0.04 -2.42 -0.07 0.00 0.00 0.00 0.00 23.12 20.67 2k11 s ALA 109 CO 0.10 -1.72 0.59 0.00 0.00 0.00 0.00 175.76 174.73 2k11 s GLU 111 N -2.08 1.60 3.12 0.00 -6.30 -0.50 -4.81 118.70 109.73 2k11 s GLU 111 Ca 0.40 -1.02 0.00 0.00 -2.50 0.00 0.00 54.97 51.85 2k11 s GLU 111 Cb -0.15 0.46 0.00 0.00 0.00 0.00 0.00 34.13 34.44 2k11 s GLU 111 CO 0.20 -0.75 0.00 0.41 0.02 0.00 0.00 175.26 175.14 2k11 n GLY 112 N -0.63 -0.00 3.55 -1.50 0.00 -1.26 -3.72 105.19 101.63 2k11 n GLY 112 Ca -0.05 -1.11 -0.05 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.89 1.22 1.61 0.15 -1.26 -4.27 113.70 106.26 2k11 s SER 113 Ca 0.00 1.40 -0.18 0.00 0.70 0.00 0.00 55.95 57.87 2k11 s SER 113 Cb 0.00 1.72 0.27 0.00 -1.71 0.00 0.00 66.02 66.30 2k11 s SER 113 CO 0.00 -0.23 0.96 -0.81 1.20 0.00 0.00 173.24 174.37 2k11 n PRO 114 N 4.96 -2.90 -2.24 5.44 -0.04 -1.26 -5.03 135.00 133.93 2k11 n PRO 114 Ca -0.15 -1.54 -0.41 0.00 -0.04 0.00 0.00 63.50 61.36 2k11 n PRO 114 Cb 0.53 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 2k11 n PRO 114 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2k11 s TYR 115 N -2.74 2.05 0.03 0.54 5.04 -1.26 -4.80 117.35 116.21 2k11 s TYR 115 Ca 0.62 0.57 -0.02 0.00 -2.44 0.00 0.00 57.07 55.80 2k11 s TYR 115 Cb -0.06 -4.28 -0.02 0.00 0.35 0.00 0.00 41.96 37.95 2k11 s TYR 115 CO 0.48 -2.22 0.01 0.14 -1.34 0.00 0.00 175.55 172.62 2k11 s VAL 116 N 6.96 0.15 -0.17 3.14 -7.23 -1.24 -4.91 120.40 117.09 2k11 s VAL 116 Ca 0.60 -1.22 -0.29 0.00 -1.81 0.00 0.00 61.98 59.26 2k11 s VAL 116 Cb -0.13 -0.81 -0.03 0.00 0.56 0.00 0.00 36.38 35.97 2k11 s VAL 116 CO 0.25 -0.67 1.58 -2.16 -0.31 0.00 0.00 175.10 173.79 2k11 s PRO 117 N -2.50 3.95 0.00 4.82 0.04 -1.26 -1.41 135.00 138.65 2k11 s PRO 117 Ca -0.06 1.80 0.04 0.00 0.04 0.00 0.00 61.00 62.82 2k11 s PRO 117 Cb -0.02 -3.99 0.13 0.00 0.04 0.00 0.00 34.50 30.66 2k11 s PRO 117 CO -0.05 -1.10 1.11 1.33 0.04 0.00 0.00 177.00 178.33 2k11 n VAL 118 N 6.03 1.00 -3.65 -0.36 0.24 -0.96 -4.77 118.33 115.85 2k11 n VAL 118 Ca 0.18 -1.00 -0.11 0.00 -2.04 0.00 0.00 64.34 61.37 2k11 n VAL 118 Cb 0.45 0.50 -0.08 0.00 -1.47 0.00 0.00 33.84 33.24 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 -1.00 -0.81 -0.13 6.34 5.65 -1.20 -4.74 115.29 119.40 2k11 s HIS 119 Ca 0.10 1.82 -0.02 0.00 0.25 0.00 0.00 55.06 57.20 2k11 s HIS 119 Cb 0.05 0.37 -0.03 0.00 -1.18 0.00 0.00 32.58 31.80 2k11 s HIS 119 CO 0.07 -0.40 -0.05 0.12 -0.65 0.00 0.00 174.74 173.82 2k11 s PHE 120 N 0.86 2.99 0.00 3.88 2.19 -1.26 -1.09 117.98 125.55 2k11 s PHE 120 Ca -0.04 -0.24 0.00 0.00 0.33 0.00 0.00 56.93 56.98 2k11 s PHE 120 Cb -0.05 -1.88 0.00 0.00 -1.31 0.00 0.00 43.02 39.78 2k11 s PHE 120 CO -0.07 0.06 0.00 -3.47 1.83 0.00 0.00 175.22 173.57 2k11 n ASP 121 N 3.15 0.00 -3.54 6.13 -0.08 -1.01 -5.00 116.55 116.20 2k11 n ASP 121 Ca -0.18 0.04 -0.07 0.00 -1.51 0.00 0.00 54.79 53.07 2k11 n ASP 121 Cb 0.53 -0.42 -0.02 0.00 2.34 0.00 0.00 41.12 43.54 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 -3.30 -1.92 -0.10 -1.67 0.00 -1.23 -5.06 121.76 108.48 2k11 s ALA 122 Ca 0.00 1.27 -0.20 0.00 0.00 0.00 0.00 51.96 53.02 2k11 s ALA 122 Cb 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 2k11 s ALA 122 CO 0.00 -0.62 0.58 -1.54 0.00 0.00 0.00 175.76 174.17 2k11 s SER 123 N -2.27 6.82 1.25 0.00 1.04 -1.26 -2.23 113.70 117.05 2k11 s SER 123 Ca 0.06 0.98 -0.20 0.00 0.48 0.00 0.00 55.95 57.27 2k11 s SER 123 Cb -0.01 -2.34 0.31 0.00 0.10 0.00 0.00 66.02 64.07 2k11 s SER 123 CO -0.07 -0.05 1.08 -0.69 0.98 0.00 0.00 173.24 174.49 2k11 s VAL 124 N 0.70 1.51 -0.02 5.02 1.01 -0.73 -4.94 120.40 122.96 2k11 s VAL 124 Ca 0.31 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.31 2k11 s VAL 124 Cb -0.16 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 2k11 s VAL 124 CO 0.14 0.00 0.01 -0.62 0.00 0.00 0.00 175.10 174.62 2k11 n GLU 125 N -4.94 3.45 -3.85 2.72 1.02 -1.26 -4.40 120.64 113.38 2k11 n GLU 125 Ca 0.14 -0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.21 2k11 n GLU 125 Cb 0.60 -1.05 -0.02 0.00 -0.02 0.00 0.00 31.44 30.94 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 -3.31 -0.26 0.00 1.62 2.15 -1.26 -4.88 116.67 110.72 2k11 s ASP 126 Ca -0.01 -0.60 0.15 0.00 0.43 0.00 0.00 52.55 52.53 2k11 s ASP 126 Cb 0.01 0.72 0.92 0.00 -0.30 0.00 0.00 42.92 44.27 2k11 s ASP 126 CO 0.08 -1.34 1.34 -1.20 -0.17 0.00 0.00 175.17 173.88