#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k13 s GLU 2 N 0.00 0.38 0.22 3.49 2.12 -1.26 -4.45 118.70 119.20 2k13 s GLU 2 Ca 0.00 -0.74 -0.21 0.00 0.36 0.00 0.00 54.97 54.37 2k13 s GLU 2 Cb 0.00 -1.44 0.07 0.00 0.26 0.00 0.00 34.13 33.01 2k13 s GLU 2 CO 0.00 -1.02 0.96 1.03 -0.54 0.00 0.00 175.26 175.70 2k13 s ARG 3 N 1.90 1.49 -0.10 4.30 0.52 -1.26 -5.11 118.95 120.68 2k13 s ARG 3 Ca 0.10 -0.93 0.03 0.00 -0.52 0.00 0.00 55.73 54.41 2k13 s ARG 3 Cb -0.17 0.44 0.00 0.00 0.52 0.00 0.00 34.95 35.74 2k13 s ARG 3 CO -0.32 -0.69 -0.22 -1.21 0.02 0.00 0.00 175.30 172.88 2k13 s GLU 4 N -2.50 2.84 0.84 3.54 8.01 -1.26 -4.44 118.70 125.72 2k13 s GLU 4 Ca 0.18 -0.80 -0.07 0.00 0.01 0.00 0.00 54.97 54.28 2k13 s GLU 4 Cb -0.03 -2.20 0.17 0.00 -4.31 0.00 0.00 34.13 27.76 2k13 s GLU 4 CO 0.06 0.11 1.15 0.34 0.01 0.00 0.00 175.26 176.93 2k13 s ASP 5 N 0.51 3.74 -0.41 -0.19 -1.08 -1.26 -4.75 116.67 113.21 2k13 s ASP 5 Ca -0.16 -0.14 -0.18 0.00 -0.52 0.00 0.00 52.55 51.56 2k13 s ASP 5 Cb -0.17 -0.06 0.02 0.00 -1.46 0.00 0.00 42.92 41.25 2k13 s ASP 5 CO 0.06 -2.29 0.46 0.00 0.52 0.00 0.00 175.17 173.91 2k13 s TRP 7 N 2.21 3.50 -0.19 0.00 0.51 -1.26 -4.50 118.94 119.21 2k13 s TRP 7 Ca 0.13 0.22 -0.09 0.00 -2.12 0.00 0.00 56.10 54.24 2k13 s TRP 7 Cb -0.17 -1.74 -0.05 0.00 -0.81 0.00 0.00 33.47 30.71 2k13 s TRP 7 CO 0.14 0.58 0.12 0.99 -0.51 0.00 0.00 176.95 178.26 2k13 s THR 8 N -1.54 5.30 -0.11 2.01 2.01 -0.16 -4.83 115.64 118.32 2k13 s THR 8 Ca 0.35 0.15 -0.17 0.00 0.31 0.00 0.00 61.69 62.33 2k13 s THR 8 Cb -0.13 -3.41 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 2k13 s THR 8 CO 0.28 0.45 0.43 0.12 -0.69 0.00 0.00 174.62 175.20 2k13 s PHE 9 N 0.31 3.54 -0.09 4.92 5.36 -1.26 -2.29 117.98 128.46 2k13 s PHE 9 Ca 0.07 0.84 -0.09 0.00 -0.96 0.00 0.00 56.93 56.80 2k13 s PHE 9 Cb -0.11 -2.46 -0.05 0.00 -0.34 0.00 0.00 43.02 40.06 2k13 s PHE 9 CO -0.01 0.26 -0.19 0.98 -1.46 0.00 0.00 175.22 174.79 2k13 n TYR 10 N 3.35 0.00 -3.67 10.12 4.19 -1.19 -5.06 117.16 124.90 2k13 n TYR 10 Ca -0.09 0.00 -0.03 0.00 3.31 0.00 0.00 57.90 61.08 2k13 n TYR 10 Cb 0.52 -0.38 -0.01 0.00 0.49 0.00 0.00 39.34 39.95 2k13 n TYR 10 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2k13 s ALA 11 N -2.41 -1.83 -0.18 2.98 0.00 -1.26 -5.08 121.76 113.97 2k13 s ALA 11 Ca -0.18 0.51 -0.29 0.00 0.00 0.00 0.00 51.96 52.00 2k13 s ALA 11 Cb 0.05 0.49 -0.00 0.00 0.00 0.00 0.00 23.12 23.66 2k13 s ALA 11 CO 0.25 -0.95 1.00 -0.80 0.00 0.00 0.00 175.76 175.26 2k13 s ASN 12 N -2.81 7.13 -0.05 0.00 0.02 -1.26 -2.03 114.94 115.94 2k13 s ASN 12 Ca 0.11 1.40 -0.16 0.00 -1.02 0.00 0.00 52.86 53.19 2k13 s ASN 12 Cb -0.00 -2.53 0.03 0.00 0.02 0.00 0.00 41.25 38.77 2k13 s ASN 12 CO -0.02 -0.56 0.37 -0.13 0.02 0.00 0.00 177.10 176.78 2k13 s ARG 13 N 2.69 0.66 -0.16 -0.60 1.81 -1.04 -3.24 118.95 119.06 2k13 s ARG 13 Ca 0.45 0.02 -0.24 0.00 -1.72 0.00 0.00 55.73 54.24 2k13 s ARG 13 Cb -0.16 0.30 0.06 0.00 -0.45 0.00 0.00 34.95 34.70 2k13 s ARG 13 CO 0.11 -0.17 0.61 0.15 -0.68 0.00 0.00 175.30 175.32 2k13 s LYS 14 N -0.97 0.82 -0.66 3.54 3.01 0.32 -4.46 119.74 121.33 2k13 s LYS 14 Ca -0.10 0.59 -0.03 0.00 -1.01 0.00 0.00 55.97 55.42 2k13 s LYS 14 Cb -0.04 0.39 0.17 0.00 -1.01 0.00 0.00 37.83 37.34 2k13 s LYS 14 CO 0.04 -0.17 2.47 0.98 0.51 0.00 0.00 175.35 179.18 2k13 n TYR 15 N 2.07 2.16 0.00 3.18 9.36 -1.26 -0.52 117.16 132.15 2k13 n TYR 15 Ca -0.16 -2.14 0.00 0.00 3.32 0.00 0.00 57.90 58.92 2k13 n TYR 15 Cb 0.56 -1.34 0.00 0.00 -0.63 0.00 0.00 39.34 37.93 2k13 n TYR 15 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 2k13 n THR 16 N 0.42 0.00 -4.83 2.97 -2.24 -1.26 -4.86 114.28 104.48 2k13 n THR 16 Ca 0.51 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.97 2k13 n THR 16 Cb 0.42 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.52 2k13 n THR 16 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k13 s ASP 17 N 0.00 4.02 -0.22 3.42 2.15 -1.26 -5.02 116.67 119.76 2k13 s ASP 17 Ca 0.00 -0.23 0.06 0.00 0.43 0.00 0.00 52.55 52.81 2k13 s ASP 17 Cb 0.00 -0.82 0.50 0.00 -0.30 0.00 0.00 42.92 42.30 2k13 s ASP 17 CO 0.00 0.33 1.46 0.49 -0.17 0.00 0.00 175.17 177.28 2k13 n PHE 18 N 2.14 1.69 0.16 -5.34 3.72 -1.26 -4.50 117.46 114.07 2k13 n PHE 18 Ca -0.17 -0.91 0.18 0.00 -0.05 0.00 0.00 57.45 56.50 2k13 n PHE 18 Cb 0.52 -0.53 0.79 0.00 -0.94 0.00 0.00 39.48 39.32 2k13 n PHE 18 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 2k13 h ASP 19 N 1.71 0.00 0.13 4.37 2.03 -1.98 -0.27 116.42 122.41 2k13 h ASP 19 Ca 0.20 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.50 2k13 h ASP 19 Cb 1.84 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.34 2k13 h ASP 19 CO 0.52 0.00 0.00 2.29 -1.03 0.00 0.00 179.24 181.02 2k13 n LYS 20 N -3.84 0.12 -2.43 4.15 2.85 -1.26 -4.93 118.16 112.82 2k13 n LYS 20 Ca 0.04 0.20 -0.05 0.00 -1.05 0.00 0.00 58.31 57.44 2k13 n LYS 20 Cb 0.42 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.26 2k13 n LYS 20 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2k13 n SER 21 N -1.26 -1.00 -4.40 -5.58 7.64 -0.11 -4.25 113.62 104.65 2k13 n SER 21 Ca 0.04 1.20 -0.26 0.00 1.01 0.00 0.00 58.87 60.86 2k13 n SER 21 Cb 0.06 -4.71 -0.12 0.00 -1.01 0.00 0.00 64.21 58.43 2k13 n SER 21 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2k13 s PHE 22 N -0.57 2.20 -0.04 1.43 0.08 -1.26 -2.61 117.98 117.21 2k13 s PHE 22 Ca -0.24 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.47 2k13 s PHE 22 Cb 0.02 -1.10 -0.03 0.00 -0.57 0.00 0.00 43.02 41.34 2k13 s PHE 22 CO 0.65 0.46 -0.16 0.15 -0.10 0.00 0.00 175.22 176.22 2k13 s LYS 23 N -2.66 2.43 -0.16 0.44 1.02 -0.71 -4.89 119.74 115.22 2k13 s LYS 23 Ca 0.19 -0.74 0.01 0.00 0.02 0.00 0.00 55.97 55.45 2k13 s LYS 23 Cb -0.08 -2.33 0.02 0.00 -0.52 0.00 0.00 37.83 34.92 2k13 s LYS 23 CO 0.09 0.61 -0.17 0.21 -0.92 0.00 0.00 175.35 175.17 2k13 s LYS 24 N -0.79 2.63 -0.17 1.68 2.36 -1.26 -1.29 119.74 122.89 2k13 s LYS 24 Ca 0.12 -0.69 -0.11 0.00 -2.55 0.00 0.00 55.97 52.74 2k13 s LYS 24 Cb -0.11 -2.32 0.06 0.00 -1.05 0.00 0.00 37.83 34.41 2k13 s LYS 24 CO 0.01 -0.22 0.43 -1.54 1.55 0.00 0.00 175.35 175.58 2k13 s SER 25 N 1.38 -0.53 -0.67 1.43 1.04 -1.12 -5.01 113.70 110.22 2k13 s SER 25 Ca 0.05 0.92 -0.18 0.00 0.48 0.00 0.00 55.95 57.22 2k13 s SER 25 Cb -0.13 0.82 0.12 0.00 0.10 0.00 0.00 66.02 66.94 2k13 s SER 25 CO -0.12 -0.19 0.78 -0.44 0.98 0.00 0.00 173.24 174.26 2k13 s SER 26 N 1.20 6.32 -0.18 7.02 0.01 -1.26 -4.34 113.70 122.47 2k13 s SER 26 Ca -0.08 -1.67 -0.02 0.00 1.31 0.00 0.00 55.95 55.49 2k13 s SER 26 Cb -0.07 -2.31 0.05 0.00 0.21 0.00 0.00 66.02 63.90 2k13 s SER 26 CO -0.11 -1.05 0.00 -1.81 0.41 0.00 0.00 173.24 170.69 2k13 s ASP 27 N 3.45 2.84 0.01 2.44 1.01 -1.26 -5.00 116.67 120.16 2k13 s ASP 27 Ca 0.15 -0.74 -0.24 0.00 0.71 0.00 0.00 52.55 52.44 2k13 s ASP 27 Cb -0.20 -0.71 -0.17 0.00 1.01 0.00 0.00 42.92 42.86 2k13 s ASP 27 CO 0.02 -0.26 1.35 0.25 0.21 0.00 0.00 175.17 176.74 2k13 h LEU 28 N 8.20 0.14 0.13 1.23 6.46 -1.99 0.20 115.31 129.67 2k13 h LEU 28 Ca -0.18 -0.43 -0.01 0.00 -0.12 0.00 0.00 57.88 57.14 2k13 h LEU 28 Cb 1.11 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.01 2k13 h LEU 28 CO 0.35 0.53 -0.06 0.44 -0.62 0.00 0.00 178.44 179.08 2k13 h ASP 29 N -0.26 -0.15 -0.69 1.25 5.19 -1.96 -3.23 116.42 116.57 2k13 h ASP 29 Ca 0.01 -0.16 -0.06 0.00 -0.62 0.00 0.00 57.03 56.21 2k13 h ASP 29 Cb 0.48 0.04 -0.03 0.00 0.18 0.00 0.00 39.33 40.00 2k13 h ASP 29 CO 0.01 0.07 0.22 -0.33 -3.12 0.00 0.00 179.24 176.09 2k13 h GLU 30 N -0.37 1.08 -0.52 3.56 5.08 -1.93 -1.40 114.58 120.08 2k13 h GLU 30 Ca -0.02 -0.23 0.03 0.00 -1.00 0.00 0.00 59.36 58.14 2k13 h GLU 30 Cb 0.30 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 2k13 h GLU 30 CO 0.03 0.93 0.29 0.00 -1.00 0.00 0.00 179.01 179.26 2k13 h LYS 32 N 0.57 0.67 -0.61 0.00 6.56 -1.48 0.67 116.57 122.94 2k13 h LYS 32 Ca 0.22 -0.15 -0.01 0.00 -1.06 0.00 0.00 60.65 59.65 2k13 h LYS 32 Cb 0.07 -0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 31.61 2k13 h LYS 32 CO -0.12 0.66 0.36 1.57 -2.06 0.00 0.00 179.45 179.86 2k13 h LYS 33 N 0.55 0.84 -0.61 3.15 2.10 -0.95 -0.08 116.57 121.56 2k13 h LYS 33 Ca 0.14 -0.08 -0.02 0.00 -2.00 0.00 0.00 60.65 58.68 2k13 h LYS 33 Cb 0.28 -0.17 -0.03 0.00 -0.90 0.00 0.00 32.23 31.41 2k13 h LYS 33 CO -0.00 0.61 0.30 1.15 -2.00 0.00 0.00 179.45 179.51 2k13 h THR 34 N 0.83 1.21 -0.68 0.07 2.02 0.05 -0.15 112.91 116.26 2k13 h THR 34 Ca 0.22 -0.60 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 2k13 h THR 34 Cb -0.00 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 2k13 h THR 34 CO -0.04 0.24 0.35 0.00 0.37 0.00 0.00 175.52 176.45 2k13 h PHE 36 N 0.93 0.76 0.15 0.00 0.04 -0.46 -3.25 116.94 115.12 2k13 h PHE 36 Ca 0.24 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 2k13 h PHE 36 Cb 0.07 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.01 2k13 h PHE 36 CO -0.00 0.70 -0.07 1.57 -0.60 0.00 0.00 178.31 179.90 2k13 h LYS 37 N 0.69 -0.20 0.00 1.51 2.10 -0.85 -3.45 116.57 116.37 2k13 h LYS 37 Ca 0.14 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 2k13 h LYS 37 Cb 0.38 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 2k13 h LYS 37 CO 0.01 -0.06 0.00 2.41 -2.00 0.00 0.00 179.45 179.81 2k13 n THR 38 N -5.14 0.00 -0.06 0.07 -1.04 -1.21 -4.99 114.28 101.91 2k13 n THR 38 Ca -0.09 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.85 2k13 n THR 38 Cb 0.14 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.60 2k13 n THR 38 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2k13 h GLU 39 N 0.00 0.00 -0.08 -2.82 5.08 -1.87 -3.44 114.58 111.45 2k13 h GLU 39 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2k13 h GLU 39 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2k13 h GLU 39 CO 0.00 0.38 -0.19 1.88 -1.00 0.00 0.00 179.01 180.08 2k13 h TYR 40 N -1.00 0.13 -0.74 4.33 0.05 -1.86 -3.39 116.97 114.49 2k13 h TYR 40 Ca -0.04 -0.02 -0.50 0.00 0.05 0.00 0.00 58.73 58.23 2k13 h TYR 40 Cb 0.50 -0.04 -0.06 0.00 1.01 0.00 0.00 36.73 38.14 2k13 h TYR 40 CO 0.05 0.32 1.51 0.00 -1.05 0.00 0.00 178.16 178.98 2k13 n TYR 42 N 11.29 0.00 -4.97 0.00 0.18 -1.25 -4.30 117.16 118.11 2k13 n TYR 42 Ca 0.44 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.89 2k13 n TYR 42 Cb 0.47 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.28 2k13 n TYR 42 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 2k13 s ILE 43 N -0.04 2.70 0.03 -3.48 -1.09 -1.26 -0.24 121.20 117.82 2k13 s ILE 43 Ca 0.00 -0.81 0.02 0.00 -2.23 0.00 0.00 60.65 57.62 2k13 s ILE 43 Cb 0.00 -2.07 -0.02 0.00 -1.58 0.00 0.00 42.46 38.79 2k13 s ILE 43 CO 0.00 0.56 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.52 2k13 s VAL 44 N -0.04 0.41 -0.07 2.92 1.01 -0.64 -0.05 120.40 123.95 2k13 s VAL 44 Ca -0.05 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.15 2k13 s VAL 44 Cb -0.14 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.79 2k13 s VAL 44 CO 0.04 -0.27 -0.11 -0.36 0.00 0.00 0.00 175.10 174.41 2k13 s PHE 45 N -1.03 1.42 -0.05 5.22 0.08 0.63 -2.33 117.98 121.93 2k13 s PHE 45 Ca -0.08 -0.54 0.03 0.00 0.12 0.00 0.00 56.93 56.46 2k13 s PHE 45 Cb -0.08 -1.07 0.00 0.00 -0.57 0.00 0.00 43.02 41.31 2k13 s PHE 45 CO 0.00 -0.30 -0.14 -1.21 -0.10 0.00 0.00 175.22 173.47 2k13 s GLU 46 N 0.80 1.64 -0.24 0.44 2.02 -0.97 -1.10 118.70 121.28 2k13 s GLU 46 Ca -0.12 -0.49 -0.16 0.00 0.02 0.00 0.00 54.97 54.21 2k13 s GLU 46 Cb -0.15 -1.40 -0.03 0.00 0.10 0.00 0.00 34.13 32.64 2k13 s GLU 46 CO 0.02 0.14 0.44 0.34 0.02 0.00 0.00 175.26 176.22 2k13 s ASP 47 N 0.28 6.39 0.28 -0.19 -1.08 0.64 -0.20 116.67 122.79 2k13 s ASP 47 Ca -0.08 0.46 0.19 0.00 -0.52 0.00 0.00 52.55 52.60 2k13 s ASP 47 Cb -0.13 -2.25 0.10 0.00 -1.46 0.00 0.00 42.92 39.19 2k13 s ASP 47 CO 0.03 -0.19 1.33 0.74 0.52 0.00 0.00 175.17 177.60 2k13 h THR 48 N 5.27 0.42 0.09 1.71 2.02 -1.62 -0.10 112.91 120.69 2k13 h THR 48 Ca -0.32 -1.64 -0.12 0.00 0.77 0.00 0.00 66.41 65.09 2k13 h THR 48 Cb 1.15 2.10 0.01 0.00 -1.74 0.00 0.00 68.15 69.67 2k13 h THR 48 CO 0.70 0.24 -0.53 0.58 0.37 0.00 0.00 175.52 176.88 2k13 h VAL 49 N 0.00 1.61 0.00 3.16 2.07 -1.93 -3.28 116.25 117.88 2k13 h VAL 49 Ca -0.03 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.04 2k13 h VAL 49 Cb 1.25 3.25 0.00 0.00 -1.52 0.00 0.00 31.29 34.26 2k13 h VAL 49 CO 0.03 0.68 -0.79 0.59 0.02 0.00 0.00 177.57 178.10 2k13 n ASN 50 N -4.29 0.63 -2.69 0.57 3.02 -1.26 -4.94 115.26 106.30 2k13 n ASN 50 Ca -0.12 -0.12 -0.21 0.00 -0.03 0.00 0.00 54.58 54.10 2k13 n ASN 50 Cb 0.70 0.48 0.02 0.00 -0.61 0.00 0.00 39.78 40.38 2k13 n ASN 50 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2k13 n LYS 51 N -1.92 -3.86 -3.92 3.52 4.76 -0.13 -4.99 118.16 111.62 2k13 n LYS 51 Ca 0.03 0.88 -0.21 0.00 -2.87 0.00 0.00 58.31 56.14 2k13 n LYS 51 Cb 0.42 -5.59 -0.03 0.00 -1.84 0.00 0.00 35.03 27.99 2k13 n LYS 51 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2k13 s GLU 52 N -5.47 3.04 -0.13 1.97 2.02 -0.72 -4.89 118.70 114.53 2k13 s GLU 52 Ca 0.21 -1.03 -0.00 0.00 0.02 0.00 0.00 54.97 54.18 2k13 s GLU 52 Cb -0.09 -2.67 0.02 0.00 0.10 0.00 0.00 34.13 31.49 2k13 s GLU 52 CO 0.26 0.29 -0.11 0.00 0.02 0.00 0.00 175.26 175.73 2k13 s TYR 54 N 1.58 2.46 -0.09 0.00 1.51 -0.26 -2.79 117.35 119.76 2k13 s TYR 54 Ca 0.04 -1.15 0.04 0.00 -1.01 0.00 0.00 57.07 55.00 2k13 s TYR 54 Cb -0.13 -1.68 -0.01 0.00 -0.11 0.00 0.00 41.96 40.03 2k13 s TYR 54 CO -0.09 -0.51 -0.22 1.52 -1.11 0.00 0.00 175.55 175.14 2k13 s TYR 55 N 0.69 2.58 -0.14 2.71 -0.85 -0.41 -0.27 117.35 121.66 2k13 s TYR 55 Ca -0.11 -0.81 -0.29 0.00 -0.52 0.00 0.00 57.07 55.34 2k13 s TYR 55 Cb -0.16 -1.69 -0.03 0.00 0.38 0.00 0.00 41.96 40.46 2k13 s TYR 55 CO 0.02 -0.28 1.43 1.21 -1.52 0.00 0.00 175.55 176.42 2k13 s ASN 56 N 0.11 6.79 0.00 -0.18 2.47 0.93 -1.73 114.94 123.32 2k13 s ASN 56 Ca -0.10 1.86 0.15 0.00 0.42 0.00 0.00 52.86 55.19 2k13 s ASN 56 Cb -0.16 -2.54 -0.04 0.00 -1.45 0.00 0.00 41.25 37.07 2k13 s ASN 56 CO 0.06 -0.87 0.79 1.33 -3.72 0.00 0.00 177.10 174.68 2k13 n VAL 57 N 5.53 0.00 -4.01 -5.21 0.24 -1.07 -3.80 118.33 110.01 2k13 n VAL 57 Ca 0.16 -0.30 -0.28 0.00 -2.04 0.00 0.00 64.34 61.88 2k13 n VAL 57 Cb 0.44 1.14 -0.01 0.00 -1.47 0.00 0.00 33.84 33.95 2k13 n VAL 57 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2k13 s VAL 58 N -1.95 1.45 -0.25 3.34 1.01 -1.26 -4.41 120.40 118.33 2k13 s VAL 58 Ca 0.11 -1.56 -0.29 0.00 0.00 0.00 0.00 61.98 60.25 2k13 s VAL 58 Cb 0.12 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 2k13 s VAL 58 CO 0.43 0.00 1.85 -0.62 0.00 0.00 0.00 175.10 176.77 2k13 s ASP 59 N -4.27 5.96 0.00 3.32 2.15 -1.26 -4.59 116.67 117.98 2k13 s ASP 59 Ca 0.28 1.60 0.15 0.00 0.43 0.00 0.00 52.55 55.01 2k13 s ASP 59 Cb -0.02 -2.52 0.24 0.00 -0.30 0.00 0.00 42.92 40.32 2k13 s ASP 59 CO 0.18 -1.60 1.07 0.61 -0.17 0.00 0.00 175.17 175.26 2k13 n GLY 60 N 5.25 0.81 0.24 2.66 0.00 -1.26 -4.75 105.19 108.14 2k13 n GLY 60 Ca 0.23 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.88 2k13 n GLY 60 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2k13 h GLU 61 N 0.57 0.00 0.00 1.61 4.81 -1.90 0.15 114.58 119.82 2k13 h GLU 61 Ca -0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2k13 h GLU 61 Cb 1.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.05 2k13 h GLU 61 CO -0.02 0.18 0.00 -1.91 -0.73 0.00 0.00 179.01 176.53 2k13 n GLU 62 N -3.48 0.28 -2.52 1.92 4.07 -1.26 -4.54 120.64 115.11 2k13 n GLU 62 Ca -0.01 0.10 -0.41 0.00 -0.06 0.00 0.00 57.16 56.78 2k13 n GLU 62 Cb 0.35 -1.50 -0.03 0.00 -0.06 0.00 0.00 31.44 30.20 2k13 n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2k13 s LEU 63 N -2.57 3.30 -0.13 4.31 1.43 0.52 -4.96 118.68 120.58 2k13 s LEU 63 Ca 0.18 -0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.04 2k13 s LEU 63 Cb 0.13 -2.84 -0.05 0.00 0.03 0.00 0.00 46.19 43.46 2k13 s LEU 63 CO 0.29 -1.72 0.26 -0.62 0.23 0.00 0.00 176.35 174.79 2k13 s ASP 64 N 3.75 6.46 0.42 2.29 -1.08 -1.26 -4.98 116.67 122.27 2k13 s ASP 64 Ca 0.42 0.54 0.10 0.00 -0.52 0.00 0.00 52.55 53.09 2k13 s ASP 64 Cb -0.08 -2.16 0.91 0.00 -1.46 0.00 0.00 42.92 40.12 2k13 s ASP 64 CO 0.20 0.21 2.00 1.56 0.52 0.00 0.00 175.17 179.66 2k13 h GLN 65 N 6.02 0.26 0.00 4.34 7.50 -1.93 -2.26 115.11 129.05 2k13 h GLN 65 Ca -0.46 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 58.66 2k13 h GLN 65 Cb 1.18 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.67 2k13 h GLN 65 CO 0.70 0.29 -0.83 0.93 -1.50 0.00 0.00 178.83 178.42 2k13 h GLU 66 N 0.26 0.00 -0.01 1.46 5.08 -2.01 -3.02 114.58 116.35 2k13 h GLU 66 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2k13 h GLU 66 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2k13 h GLU 66 CO 0.00 0.00 -0.55 1.63 -1.00 0.00 0.00 179.01 179.10 2k13 n LYS 67 N -2.48 0.51 -2.72 2.33 4.01 -0.90 -4.85 118.16 114.06 2k13 n LYS 67 Ca 0.01 -0.37 -0.33 0.00 -0.51 0.00 0.00 58.31 57.12 2k13 n LYS 67 Cb 0.51 -1.49 -0.06 0.00 -0.51 0.00 0.00 35.03 33.47 2k13 n LYS 67 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 2k13 s PHE 68 N -2.74 3.33 0.34 2.13 0.40 -0.90 -4.79 117.98 115.75 2k13 s PHE 68 Ca 0.16 1.58 0.09 0.00 -0.60 0.00 0.00 56.93 58.15 2k13 s PHE 68 Cb 0.18 -2.84 -0.05 0.00 0.51 0.00 0.00 43.02 40.81 2k13 s PHE 68 CO 0.66 -0.19 0.01 0.08 0.70 0.00 0.00 175.22 176.49 2k13 s VAL 69 N -2.28 2.63 -0.31 -0.44 1.01 0.32 -4.84 120.40 116.50 2k13 s VAL 69 Ca 0.61 -1.97 -0.29 0.00 0.00 0.00 0.00 61.98 60.34 2k13 s VAL 69 Cb -0.09 -2.80 0.02 0.00 0.00 0.00 0.00 36.38 33.50 2k13 s VAL 69 CO 0.17 -0.20 1.06 0.54 0.00 0.00 0.00 175.10 176.68 2k13 s VAL 70 N -2.52 4.53 -0.36 2.92 0.11 -1.26 0.12 120.40 123.94 2k13 s VAL 70 Ca 0.35 1.73 -0.03 0.00 -2.93 0.00 0.00 61.98 61.11 2k13 s VAL 70 Cb -0.00 -4.40 0.08 0.00 -1.53 0.00 0.00 36.38 30.52 2k13 s VAL 70 CO 0.19 -0.46 0.11 -0.62 -3.33 0.00 0.00 175.10 171.00 2k13 s ASP 71 N 1.63 5.11 0.12 3.54 2.15 -1.20 -4.76 116.67 123.26 2k13 s ASP 71 Ca 0.45 -1.65 0.07 0.00 0.43 0.00 0.00 52.55 51.85 2k13 s ASP 71 Cb -0.12 -1.78 -0.21 0.00 -0.30 0.00 0.00 42.92 40.50 2k13 s ASP 71 CO 0.15 -0.41 1.27 1.05 -0.17 0.00 0.00 175.17 177.06 2k13 h GLU 72 N 8.04 0.01 0.00 4.34 9.09 -1.93 -2.76 114.58 131.37 2k13 h GLU 72 Ca -0.17 -0.02 -0.05 0.00 0.05 0.00 0.00 59.36 59.17 2k13 h GLU 72 Cb 1.06 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 28.16 2k13 h GLU 72 CO 0.62 1.00 -0.22 -2.95 0.05 0.00 0.00 179.01 177.51 2k13 h ASN 73 N 0.00 0.00 -1.41 3.06 -0.00 -1.96 -3.44 115.58 111.83 2k13 h ASN 73 Ca -0.02 0.00 -0.52 0.00 -0.00 0.00 0.00 56.30 55.76 2k13 h ASN 73 Cb 1.78 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 40.06 2k13 h ASN 73 CO 0.13 0.22 -0.40 -0.36 -0.00 0.00 0.00 177.43 177.03 2k13 s PHE 74 N -4.24 2.54 -0.07 4.14 0.40 -1.24 -1.72 117.98 117.79 2k13 s PHE 74 Ca -0.03 -0.56 0.05 0.00 -0.60 0.00 0.00 56.93 55.79 2k13 s PHE 74 Cb 0.14 -2.09 -0.01 0.00 0.51 0.00 0.00 43.02 41.57 2k13 s PHE 74 CO 0.66 -0.10 -0.22 0.95 0.70 0.00 0.00 175.22 177.21 2k13 s THR 75 N -2.55 2.30 -0.29 0.64 -4.23 0.72 -4.34 115.64 107.90 2k13 s THR 75 Ca 0.45 -0.97 -0.15 0.00 -1.18 0.00 0.00 61.69 59.84 2k13 s THR 75 Cb -0.01 -1.87 -0.03 0.00 1.34 0.00 0.00 72.50 71.93 2k13 s THR 75 CO 0.26 0.56 0.37 -0.70 -0.54 0.00 0.00 174.62 174.57 2k13 s GLU 76 N -0.06 3.89 -0.09 3.99 2.12 -0.86 -2.29 118.70 125.39 2k13 s GLU 76 Ca -0.06 -0.09 -0.04 0.00 0.36 0.00 0.00 54.97 55.14 2k13 s GLU 76 Cb -0.14 -3.70 0.05 0.00 0.26 0.00 0.00 34.13 30.60 2k13 s GLU 76 CO 0.05 -0.34 0.19 0.54 -0.54 0.00 0.00 175.26 175.16 2k13 s ASN 77 N 1.68 0.29 0.04 -1.70 6.03 -0.98 -3.16 114.94 117.14 2k13 s ASN 77 Ca 0.14 0.42 0.07 0.00 -1.03 0.00 0.00 52.86 52.46 2k13 s ASN 77 Cb -0.16 0.37 -0.02 0.00 -3.03 0.00 0.00 41.25 38.41 2k13 s ASN 77 CO 0.11 -0.21 -0.19 -0.72 -2.03 0.00 0.00 177.10 174.05 2k13 s TYR 78 N 1.89 1.70 -0.63 1.54 1.13 -0.97 -1.62 117.35 120.39 2k13 s TYR 78 Ca -0.02 -0.37 -0.23 0.00 -1.41 0.00 0.00 57.07 55.04 2k13 s TYR 78 Cb -0.12 -1.01 0.06 0.00 -1.10 0.00 0.00 41.96 39.79 2k13 s TYR 78 CO -0.07 0.08 0.95 -1.17 -2.51 0.00 0.00 175.55 172.84 2k13 s LEU 79 N -1.17 4.29 -0.09 -3.49 2.96 0.67 -0.99 118.68 120.85 2k13 s LEU 79 Ca 0.06 -0.79 0.02 0.00 -0.22 0.00 0.00 54.13 53.20 2k13 s LEU 79 Cb -0.09 -2.54 0.01 0.00 0.50 0.00 0.00 46.19 44.08 2k13 s LEU 79 CO 0.02 -1.37 -0.14 0.28 -1.32 0.00 0.00 176.35 173.82 2k13 s THR 80 N 4.03 1.33 0.00 3.68 -1.32 -1.26 -4.92 115.64 117.18 2k13 s THR 80 Ca 0.25 -0.55 0.00 0.00 -1.21 0.00 0.00 61.69 60.17 2k13 s THR 80 Cb -0.15 -1.23 0.00 0.00 -1.51 0.00 0.00 72.50 69.61 2k13 s THR 80 CO 0.13 0.41 0.00 -0.90 -2.21 0.00 0.00 174.62 172.04 2k13 n ASP 81 N 4.13 0.00 0.00 8.08 5.68 -1.26 -4.50 116.55 128.68 2k13 n ASP 81 Ca -0.20 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.24 2k13 n ASP 81 Cb 0.51 -0.32 0.84 0.00 -1.14 0.00 0.00 41.12 41.01 2k13 n ASP 81 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k13 n GLU 83 N -1.11 0.12 0.00 0.00 1.02 -1.26 -4.00 120.64 115.41 2k13 n GLU 83 Ca 0.19 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 2k13 n GLU 83 Cb 0.15 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 2k13 n GLU 83 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k13 n GLY 84 N 4.20 0.97 3.67 0.62 0.00 -1.26 -5.07 105.19 108.31 2k13 n GLY 84 Ca 0.32 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 2k13 n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k13 s LYS 85 N 0.00 4.26 0.31 1.61 2.36 -1.26 -4.97 119.74 122.05 2k13 s LYS 85 Ca 0.00 1.77 -0.17 0.00 -2.55 0.00 0.00 55.97 55.02 2k13 s LYS 85 Cb 0.00 -3.72 0.02 0.00 -1.05 0.00 0.00 37.83 33.08 2k13 s LYS 85 CO 0.00 -0.65 0.67 0.34 1.55 0.00 0.00 175.35 177.27 2k13 s ASP 86 N 2.01 -0.07 -1.17 1.43 2.15 -1.26 -4.83 116.67 114.93 2k13 s ASP 86 Ca 0.58 -0.88 0.00 0.00 0.43 0.00 0.00 52.55 52.68 2k13 s ASP 86 Cb -0.25 0.73 0.00 0.00 -0.30 0.00 0.00 42.92 43.10 2k13 s ASP 86 CO 0.20 -1.40 0.00 0.00 -0.17 0.00 0.00 175.17 173.80 2k13 n ALA 87 N -0.47 -0.17 -3.61 3.66 0.00 -1.26 -4.92 120.51 113.74 2k13 n ALA 87 Ca -0.04 0.18 -0.05 0.00 0.00 0.00 0.00 53.44 53.52 2k13 n ALA 87 Cb 0.60 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 2k13 n ALA 87 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2k13 s GLY 88 N -2.78 -0.36 0.17 0.00 0.00 -1.26 -5.19 107.32 97.91 2k13 s GLY 88 Ca 0.00 0.75 -0.20 0.00 0.00 0.00 0.00 44.72 45.28 2k13 s GLY 88 CO 0.00 0.22 0.94 1.16 0.00 0.00 0.00 173.10 175.42 2k13 n ASN 89 N -0.33 -1.60 -0.96 1.64 6.94 -1.26 -4.92 115.26 114.77 2k13 n ASN 89 Ca -0.07 -1.84 -0.09 0.00 -0.02 0.00 0.00 54.58 52.56 2k13 n ASN 89 Cb 0.61 2.60 -0.02 0.00 -2.36 0.00 0.00 39.78 40.61 2k13 n ASN 89 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k13 n ALA 90 N -0.96 -0.24 -3.63 -2.53 0.00 -1.26 -5.01 120.51 106.89 2k13 n ALA 90 Ca -0.13 0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.27 2k13 n ALA 90 Cb 0.53 -1.25 -0.14 0.00 0.00 0.00 0.00 19.45 18.60 2k13 n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k13 s ALA 91 N -2.43 -0.43 -0.40 0.00 0.00 -1.26 -5.02 121.76 112.22 2k13 s ALA 91 Ca 0.00 0.74 0.03 0.00 0.00 0.00 0.00 51.96 52.73 2k13 s ALA 91 Cb 0.00 -1.03 0.28 0.00 0.00 0.00 0.00 23.12 22.38 2k13 s ALA 91 CO 0.00 -0.72 1.15 0.41 0.00 0.00 0.00 175.76 176.60 2k13 n GLY 92 N 5.34 -0.76 3.83 0.00 0.00 -1.26 -4.77 105.19 107.58 2k13 n GLY 92 Ca -0.06 0.55 -0.07 0.00 0.00 0.00 0.00 46.02 46.44 2k13 n GLY 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k13 s THR 93 N 0.29 0.00 -1.47 2.61 -4.23 -1.26 -4.99 115.64 106.60 2k13 s THR 93 Ca 0.26 -0.95 0.09 0.00 -1.18 0.00 0.00 61.69 59.90 2k13 s THR 93 Cb 0.25 -2.30 0.32 0.00 1.34 0.00 0.00 72.50 72.11 2k13 s THR 93 CO -0.15 0.00 1.17 0.61 -0.54 0.00 0.00 174.62 175.71 2k13 n GLY 94 N -0.49 1.19 0.11 3.99 0.00 -1.26 -3.44 105.19 105.29 2k13 n GLY 94 Ca -0.05 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 2k13 n GLY 94 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k13 n ASP 95 N 0.39 2.43 -4.07 1.61 2.03 -1.26 -4.65 116.55 113.02 2k13 n ASP 95 Ca 0.12 -0.09 -0.42 0.00 0.52 0.00 0.00 54.79 54.91 2k13 n ASP 95 Cb 0.44 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 2k13 n ASP 95 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2k13 n GLU 96 N -3.12 3.01 -1.00 -0.67 -0.58 -1.22 -3.84 120.64 113.22 2k13 n GLU 96 Ca -0.35 -2.91 -0.00 0.00 -0.42 0.00 0.00 57.16 53.48 2k13 n GLU 96 Cb 0.87 -3.36 -0.01 0.00 -0.57 0.00 0.00 31.44 28.37 2k13 n GLU 96 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2k13 n SER 97 N 6.92 0.15 -4.83 1.62 7.64 -1.26 -4.32 113.62 119.54 2k13 n SER 97 Ca 0.50 -1.85 -0.32 0.00 1.01 0.00 0.00 58.87 58.21 2k13 n SER 97 Cb 0.42 -0.09 -0.02 0.00 -1.01 0.00 0.00 64.21 63.51 2k13 n SER 97 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k13 s ASP 98 N -1.23 6.35 -1.13 6.43 2.15 -1.25 -4.79 116.67 123.19 2k13 s ASP 98 Ca 0.13 1.65 -0.17 0.00 0.43 0.00 0.00 52.55 54.59 2k13 s ASP 98 Cb 0.15 -2.52 -0.06 0.00 -0.30 0.00 0.00 42.92 40.19 2k13 s ASP 98 CO -0.06 -0.78 2.12 1.21 -0.17 0.00 0.00 175.17 177.49 2k13 n GLU 99 N -1.73 2.24 0.00 4.34 2.13 -1.26 -3.41 120.64 122.96 2k13 n GLU 99 Ca 0.07 -2.17 0.00 0.00 0.66 0.00 0.00 57.16 55.72 2k13 n GLU 99 Cb 0.54 -3.04 0.00 0.00 0.27 0.00 0.00 31.44 29.20 2k13 n GLU 99 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2k13 n VAL 100 N 5.37 0.00 0.00 6.31 0.24 -1.22 -4.86 118.33 124.17 2k13 n VAL 100 Ca 0.52 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.84 2k13 n VAL 100 Cb 0.37 -0.23 0.04 0.00 -1.47 0.00 0.00 33.84 32.55 2k13 n VAL 100 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2k13 n ASP 101 N -0.93 2.03 -0.01 -1.34 9.92 -1.26 -4.40 116.55 120.57 2k13 n ASP 101 Ca 0.00 -1.76 0.09 0.00 -0.53 0.00 0.00 54.79 52.59 2k13 n ASP 101 Cb 0.00 -0.06 -0.14 0.00 -0.64 0.00 0.00 41.12 40.29 2k13 n ASP 101 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2k13 n GLU 102 N -0.05 0.63 0.00 -1.24 -0.58 -1.22 -4.97 120.64 113.21 2k13 n GLU 102 Ca 0.03 -0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 2k13 n GLU 102 Cb 0.25 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 2k13 n GLU 102 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18