#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k13 n GLU 2 N 0.00 1.20 -3.67 3.49 0.28 -1.26 -4.39 120.64 116.28 2k13 n GLU 2 Ca 0.00 -0.30 -0.38 0.00 -0.16 0.00 0.00 57.16 56.32 2k13 n GLU 2 Cb 0.00 -1.21 -0.10 0.00 1.43 0.00 0.00 31.44 31.56 2k13 n GLU 2 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2k13 s ARG 3 N -1.92 2.35 0.47 3.44 3.00 -1.26 -4.61 118.95 120.42 2k13 s ARG 3 Ca 0.19 -2.00 0.03 0.00 0.00 0.00 0.00 55.73 53.95 2k13 s ARG 3 Cb 0.09 -3.76 0.01 0.00 0.00 0.00 0.00 34.95 31.29 2k13 s ARG 3 CO 0.15 -1.15 0.66 -1.21 0.00 0.00 0.00 175.30 173.75 2k13 s GLU 4 N 0.88 2.81 0.19 3.54 2.02 0.10 -4.86 118.70 123.38 2k13 s GLU 4 Ca 0.10 -0.85 -0.30 0.00 0.02 0.00 0.00 54.97 53.94 2k13 s GLU 4 Cb -0.23 -2.61 -0.08 0.00 0.10 0.00 0.00 34.13 31.31 2k13 s GLU 4 CO -0.03 -0.40 1.08 0.16 0.02 0.00 0.00 175.26 176.09 2k13 s ASP 5 N -4.32 7.31 -0.39 -0.19 1.47 -1.26 -4.23 116.67 115.06 2k13 s ASP 5 Ca 0.53 2.08 -0.18 0.00 1.18 0.00 0.00 52.55 56.16 2k13 s ASP 5 Cb -0.10 -2.61 0.01 0.00 -0.34 0.00 0.00 42.92 39.88 2k13 s ASP 5 CO 0.36 -0.18 0.51 0.00 0.68 0.00 0.00 175.17 176.54 2k13 s TRP 7 N 2.38 3.52 -0.20 0.00 0.51 -1.26 -3.82 118.94 120.06 2k13 s TRP 7 Ca 0.17 0.70 -0.08 0.00 -2.12 0.00 0.00 56.10 54.77 2k13 s TRP 7 Cb -0.16 -2.33 -0.04 0.00 -0.81 0.00 0.00 33.47 30.13 2k13 s TRP 7 CO 0.14 0.33 0.09 0.99 -0.51 0.00 0.00 176.95 177.99 2k13 s THR 8 N 0.13 4.86 -0.02 2.01 2.01 0.55 -4.69 115.64 120.50 2k13 s THR 8 Ca 0.19 -0.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.07 2k13 s THR 8 Cb -0.14 -3.22 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 2k13 s THR 8 CO 0.06 0.42 0.33 0.12 -0.69 0.00 0.00 174.62 174.86 2k13 s PHE 9 N 0.69 3.66 -0.00 4.92 5.36 -1.26 -0.78 117.98 130.56 2k13 s PHE 9 Ca 0.04 0.81 -0.00 0.00 -0.96 0.00 0.00 56.93 56.82 2k13 s PHE 9 Cb -0.13 -2.15 -0.00 0.00 -0.34 0.00 0.00 43.02 40.40 2k13 s PHE 9 CO 0.02 0.65 -0.00 0.98 -1.46 0.00 0.00 175.22 175.40 2k13 n TYR 10 N 1.64 0.00 -3.62 10.12 4.19 -1.22 -5.01 117.16 123.26 2k13 n TYR 10 Ca -0.14 0.00 -0.03 0.00 3.31 0.00 0.00 57.90 61.04 2k13 n TYR 10 Cb 0.53 -0.01 -0.01 0.00 0.49 0.00 0.00 39.34 40.34 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 -2.00 -2.00 -0.17 2.98 0.00 -1.26 -5.00 121.76 114.31 2k13 s ALA 11 Ca -0.00 0.89 -0.27 0.00 0.00 0.00 0.00 51.96 52.58 2k13 s ALA 11 Cb 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 2k13 s ALA 11 CO 0.00 -0.86 0.92 -0.80 0.00 0.00 0.00 175.76 175.03 2k13 s ASN 12 N -2.66 7.05 0.08 0.00 0.02 -1.26 -2.54 114.94 115.63 2k13 s ASN 12 Ca 0.11 1.30 -0.14 0.00 -1.02 0.00 0.00 52.86 53.11 2k13 s ASN 12 Cb 0.01 -2.50 0.02 0.00 0.02 0.00 0.00 41.25 38.80 2k13 s ASN 12 CO -0.04 -0.48 0.32 -0.13 0.02 0.00 0.00 177.10 176.79 2k13 s ARG 13 N 2.38 0.91 -0.23 -0.60 1.81 -1.21 -4.28 118.95 117.72 2k13 s ARG 13 Ca 0.42 -0.66 -0.26 0.00 -1.72 0.00 0.00 55.73 53.50 2k13 s ARG 13 Cb -0.17 0.39 0.10 0.00 -0.45 0.00 0.00 34.95 34.82 2k13 s ARG 13 CO 0.12 -0.31 0.86 0.21 -0.68 0.00 0.00 175.30 175.50 2k13 s LYS 14 N -3.24 0.71 -0.23 3.54 2.47 0.39 -4.09 119.74 119.30 2k13 s LYS 14 Ca -0.00 0.65 0.08 0.00 -1.56 0.00 0.00 55.97 55.14 2k13 s LYS 14 Cb 0.01 0.34 0.57 0.00 -1.46 0.00 0.00 37.83 37.30 2k13 s LYS 14 CO -0.08 -0.13 1.52 0.98 0.16 0.00 0.00 175.35 177.81 2k13 n TYR 15 N 2.05 1.82 -3.79 4.03 9.36 -1.26 -1.93 117.16 127.43 2k13 n TYR 15 Ca -0.14 -0.89 -0.29 0.00 3.32 0.00 0.00 57.90 59.90 2k13 n TYR 15 Cb 0.56 -0.54 0.01 0.00 -0.63 0.00 0.00 39.34 38.74 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 0.03 -4.14 -3.64 2.97 -2.24 -1.26 -4.96 114.28 101.03 2k13 n THR 16 Ca 0.29 -0.32 -0.06 0.00 -2.27 0.00 0.00 64.05 61.69 2k13 n THR 16 Cb 1.11 -3.32 -0.07 0.00 -2.10 0.00 0.00 70.33 65.95 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 -3.20 -0.23 -0.15 3.42 2.15 -1.26 -5.06 116.67 112.34 2k13 s ASP 17 Ca 0.20 0.44 0.14 0.00 0.43 0.00 0.00 52.55 53.76 2k13 s ASP 17 Cb -0.10 0.44 0.37 0.00 -0.30 0.00 0.00 42.92 43.33 2k13 s ASP 17 CO 0.90 -0.08 1.18 0.49 -0.17 0.00 0.00 175.17 177.50 2k13 n PHE 18 N 1.84 0.00 0.28 -5.34 3.01 -1.26 -4.82 117.46 111.18 2k13 n PHE 18 Ca -0.11 -1.15 0.16 0.00 1.01 0.00 0.00 57.45 57.36 2k13 n PHE 18 Cb 0.56 -0.20 0.84 0.00 -0.01 0.00 0.00 39.48 40.67 2k13 n PHE 18 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 2k13 h ASP 19 N 0.73 0.00 0.06 4.37 3.58 -2.02 -2.92 116.42 120.21 2k13 h ASP 19 Ca -0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2k13 h ASP 19 Cb 1.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.22 2k13 h ASP 19 CO 0.02 0.07 0.00 0.29 -2.88 0.00 0.00 179.24 176.73 2k13 n LYS 20 N -3.43 0.05 -1.90 0.28 4.76 -1.26 -4.89 118.16 111.77 2k13 n LYS 20 Ca -0.02 0.25 -0.02 0.00 -2.87 0.00 0.00 58.31 55.65 2k13 n LYS 20 Cb 0.21 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.88 2k13 n LYS 20 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2k13 n SER 21 N -1.28 -2.32 -4.26 4.39 7.64 -1.10 -3.89 113.62 112.79 2k13 n SER 21 Ca 0.02 0.69 -0.18 0.00 1.01 0.00 0.00 58.87 60.40 2k13 n SER 21 Cb 0.03 -2.98 -0.11 0.00 -1.01 0.00 0.00 64.21 60.14 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 -0.30 1.48 0.05 1.43 0.08 -1.26 -2.52 117.98 116.94 2k13 s PHE 22 Ca -0.10 -0.55 0.08 0.00 0.12 0.00 0.00 56.93 56.48 2k13 s PHE 22 Cb 0.01 -0.76 -0.03 0.00 -0.57 0.00 0.00 43.02 41.67 2k13 s PHE 22 CO 0.27 0.18 -0.22 0.15 -0.10 0.00 0.00 175.22 175.50 2k13 s LYS 23 N -2.77 1.46 -0.19 0.44 1.02 -1.01 -4.91 119.74 113.80 2k13 s LYS 23 Ca 0.11 -1.03 0.01 0.00 0.02 0.00 0.00 55.97 55.08 2k13 s LYS 23 Cb -0.05 -1.63 0.03 0.00 -0.52 0.00 0.00 37.83 35.66 2k13 s LYS 23 CO 0.04 0.41 -0.18 0.21 -0.92 0.00 0.00 175.35 174.91 2k13 s LYS 24 N -1.31 2.79 -0.17 1.68 2.20 -1.26 -1.58 119.74 122.10 2k13 s LYS 24 Ca 0.09 -0.85 -0.10 0.00 -0.36 0.00 0.00 55.97 54.75 2k13 s LYS 24 Cb -0.09 -2.54 0.06 0.00 -1.51 0.00 0.00 37.83 33.74 2k13 s LYS 24 CO 0.02 -0.26 0.42 -1.12 -0.36 0.00 0.00 175.35 174.05 2k13 s SER 25 N 1.30 -0.52 -0.55 1.43 0.01 -1.13 -5.01 113.70 109.23 2k13 s SER 25 Ca 0.03 0.90 -0.07 0.00 1.31 0.00 0.00 55.95 58.12 2k13 s SER 25 Cb -0.14 0.79 0.14 0.00 0.21 0.00 0.00 66.02 67.02 2k13 s SER 25 CO -0.12 -0.19 0.41 -0.44 0.41 0.00 0.00 173.24 173.31 2k13 s SER 26 N 1.29 5.67 -0.07 2.44 0.01 -1.26 -4.47 113.70 117.29 2k13 s SER 26 Ca -0.09 -2.28 -0.01 0.00 1.31 0.00 0.00 55.95 54.89 2k13 s SER 26 Cb -0.08 -1.97 0.03 0.00 0.21 0.00 0.00 66.02 64.20 2k13 s SER 26 CO -0.12 -0.58 -0.01 -1.81 0.41 0.00 0.00 173.24 171.14 2k13 s ASP 27 N 1.99 1.61 0.20 2.44 1.01 -1.26 -4.98 116.67 117.68 2k13 s ASP 27 Ca 0.11 -0.11 -0.10 0.00 0.71 0.00 0.00 52.55 53.15 2k13 s ASP 27 Cb -0.22 -0.49 0.24 0.00 1.01 0.00 0.00 42.92 43.46 2k13 s ASP 27 CO -0.03 -0.18 1.76 0.25 0.21 0.00 0.00 175.17 177.18 2k13 h LEU 28 N 8.23 0.27 -0.35 1.23 5.85 -2.00 0.42 115.31 128.96 2k13 h LEU 28 Ca -0.22 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.58 2k13 h LEU 28 Cb 1.13 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 2k13 h LEU 28 CO 0.29 0.17 0.19 0.44 -0.34 0.00 0.00 178.44 179.19 2k13 h ASP 29 N 0.44 0.28 -0.77 1.25 3.32 -1.96 -1.99 116.42 116.99 2k13 h ASP 29 Ca 0.29 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 2k13 h ASP 29 Cb 0.31 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 2k13 h ASP 29 CO -0.27 0.21 0.44 -0.33 -1.72 0.00 0.00 179.24 177.57 2k13 h GLU 30 N 0.38 1.06 -0.57 3.56 4.39 -1.60 0.06 114.58 121.87 2k13 h GLU 30 Ca 0.15 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 2k13 h GLU 30 Cb 0.04 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.45 2k13 h GLU 30 CO -0.09 0.78 0.24 0.00 -1.16 0.00 0.00 179.01 178.78 2k13 h LYS 32 N 0.79 0.45 -0.61 0.00 6.56 -0.71 0.65 116.57 123.69 2k13 h LYS 32 Ca 0.19 -0.08 -0.01 0.00 -1.06 0.00 0.00 60.65 59.69 2k13 h LYS 32 Cb 0.18 -0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 31.73 2k13 h LYS 32 CO -0.02 0.47 0.34 1.57 -2.06 0.00 0.00 179.45 179.76 2k13 h LYS 33 N 0.34 0.85 -0.67 3.15 2.10 -0.82 0.28 116.57 121.80 2k13 h LYS 33 Ca 0.10 -0.10 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 2k13 h LYS 33 Cb 0.19 -0.17 -0.03 0.00 -0.90 0.00 0.00 32.23 31.32 2k13 h LYS 33 CO -0.01 0.64 0.30 1.15 -2.00 0.00 0.00 179.45 179.53 2k13 h THR 34 N 0.83 1.23 -0.18 0.07 2.02 -0.34 0.70 112.91 117.24 2k13 h THR 34 Ca 0.22 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2k13 h THR 34 Cb 0.03 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 2k13 h THR 34 CO -0.04 0.28 0.12 0.00 0.37 0.00 0.00 175.52 176.25 2k13 h PHE 36 N 0.25 0.75 0.05 0.00 0.04 -0.24 -2.73 116.94 115.06 2k13 h PHE 36 Ca 0.07 -0.06 0.01 0.00 2.80 0.00 0.00 57.97 60.79 2k13 h PHE 36 Cb -0.03 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 37.88 2k13 h PHE 36 CO -0.06 0.63 -0.10 0.87 -0.60 0.00 0.00 178.31 179.04 2k13 h LYS 37 N 0.72 -0.19 0.00 1.51 1.57 -0.20 -3.46 116.57 116.52 2k13 h LYS 37 Ca 0.16 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2k13 h LYS 37 Cb 0.24 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2k13 h LYS 37 CO -0.01 -0.12 0.00 2.41 -0.57 0.00 0.00 179.45 181.16 2k13 n THR 38 N -5.22 0.00 -0.03 -0.16 -1.04 -0.97 -4.96 114.28 101.90 2k13 n THR 38 Ca -0.06 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.89 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 -0.06 -0.29 -2.82 5.08 -1.87 -3.41 114.58 111.21 2k13 h GLU 39 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2k13 h GLU 39 Cb 0.00 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2k13 h GLU 39 CO 0.00 0.30 -0.13 1.88 -1.00 0.00 0.00 179.01 180.06 2k13 h TYR 40 N -0.99 0.53 -1.34 4.33 0.05 -1.88 -3.48 116.97 114.19 2k13 h TYR 40 Ca -0.01 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.69 2k13 h TYR 40 Cb 0.39 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 37.99 2k13 h TYR 40 CO 0.09 0.61 0.00 0.00 -1.05 0.00 0.00 178.16 177.81 2k13 n TYR 42 N 0.16 0.00 -4.75 0.00 0.18 -1.26 -4.84 117.16 106.64 2k13 n TYR 42 Ca 0.00 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.45 2k13 n TYR 42 Cb 0.00 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 38.84 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 -1.00 3.35 -0.02 -3.48 -1.09 -1.26 0.06 121.20 117.76 2k13 s ILE 43 Ca 0.00 -0.60 0.01 0.00 -2.23 0.00 0.00 60.65 57.83 2k13 s ILE 43 Cb 0.00 -2.35 0.01 0.00 -1.58 0.00 0.00 42.46 38.54 2k13 s ILE 43 CO 0.00 0.58 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.57 2k13 s VAL 44 N -0.58 0.35 -0.10 2.92 1.01 -0.54 0.22 120.40 123.67 2k13 s VAL 44 Ca 0.08 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.99 2k13 s VAL 44 Cb -0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.89 2k13 s VAL 44 CO 0.02 0.15 -0.16 -0.36 0.00 0.00 0.00 175.10 174.74 2k13 s PHE 45 N 0.49 2.72 0.08 5.22 0.08 0.12 -2.39 117.98 124.29 2k13 s PHE 45 Ca -0.05 -0.64 0.10 0.00 0.12 0.00 0.00 56.93 56.46 2k13 s PHE 45 Cb -0.09 -1.76 -0.03 0.00 -0.57 0.00 0.00 43.02 40.57 2k13 s PHE 45 CO -0.01 -0.18 -0.26 -1.21 -0.10 0.00 0.00 175.22 173.47 2k13 s GLU 46 N 0.12 1.65 -0.29 0.44 2.02 -0.48 0.30 118.70 122.46 2k13 s GLU 46 Ca -0.08 -1.20 -0.20 0.00 0.02 0.00 0.00 54.97 53.51 2k13 s GLU 46 Cb -0.15 -1.96 -0.01 0.00 0.10 0.00 0.00 34.13 32.10 2k13 s GLU 46 CO 0.05 0.49 0.61 0.34 0.02 0.00 0.00 175.26 176.77 2k13 s ASP 47 N -1.60 6.50 0.20 -0.19 -1.08 -0.42 -1.02 116.67 119.05 2k13 s ASP 47 Ca 0.13 0.49 -0.01 0.00 -0.52 0.00 0.00 52.55 52.64 2k13 s ASP 47 Cb -0.10 -2.32 0.13 0.00 -1.46 0.00 0.00 42.92 39.17 2k13 s ASP 47 CO 0.04 -0.43 1.49 0.74 0.52 0.00 0.00 175.17 177.54 2k13 h THR 48 N 5.50 1.35 0.09 1.71 2.02 -0.74 0.17 112.91 123.01 2k13 h THR 48 Ca -0.27 -1.95 -0.14 0.00 0.77 0.00 0.00 66.41 64.82 2k13 h THR 48 Cb 1.12 1.94 0.01 0.00 -1.74 0.00 0.00 68.15 69.48 2k13 h THR 48 CO 0.78 0.59 -0.62 0.58 0.37 0.00 0.00 175.52 177.22 2k13 h VAL 49 N 0.31 1.55 0.00 3.16 2.07 -1.93 -3.27 116.25 118.14 2k13 h VAL 49 Ca -0.01 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 65.05 2k13 h VAL 49 Cb 1.17 3.19 0.00 0.00 -1.52 0.00 0.00 31.29 34.13 2k13 h VAL 49 CO 0.11 0.67 -0.35 0.59 0.02 0.00 0.00 177.57 178.60 2k13 n ASN 50 N -4.27 0.44 -2.56 0.57 3.02 -1.25 -4.92 115.26 106.29 2k13 n ASN 50 Ca -0.14 0.10 -0.19 0.00 -0.03 0.00 0.00 54.58 54.32 2k13 n ASN 50 Cb 0.72 -0.06 0.03 0.00 -0.61 0.00 0.00 39.78 39.86 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 -1.70 -3.98 -2.71 3.52 4.76 0.51 -4.99 118.16 113.56 2k13 n LYS 51 Ca 0.05 0.79 -0.20 0.00 -2.87 0.00 0.00 58.31 56.08 2k13 n LYS 51 Cb 0.37 -5.37 0.03 0.00 -1.84 0.00 0.00 35.03 28.22 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 -5.48 2.59 -0.08 1.97 2.02 -0.73 -4.85 118.70 114.14 2k13 s GLU 52 Ca 0.24 -0.88 0.01 0.00 0.02 0.00 0.00 54.97 54.35 2k13 s GLU 52 Cb -0.10 -2.54 0.02 0.00 0.10 0.00 0.00 34.13 31.60 2k13 s GLU 52 CO 0.29 -0.64 -0.08 0.00 0.02 0.00 0.00 175.26 174.86 2k13 s TYR 54 N 1.18 2.61 -0.14 0.00 1.51 0.15 -2.84 117.35 119.82 2k13 s TYR 54 Ca -0.06 -1.18 -0.02 0.00 -1.01 0.00 0.00 57.07 54.81 2k13 s TYR 54 Cb -0.14 -1.75 -0.02 0.00 -0.11 0.00 0.00 41.96 39.93 2k13 s TYR 54 CO -0.02 -0.50 -0.08 1.52 -1.11 0.00 0.00 175.55 175.36 2k13 s TYR 55 N 0.54 2.92 -0.20 2.71 -0.85 -0.61 0.16 117.35 122.02 2k13 s TYR 55 Ca -0.14 -0.43 -0.29 0.00 -0.52 0.00 0.00 57.07 55.69 2k13 s TYR 55 Cb -0.17 -1.89 0.00 0.00 0.38 0.00 0.00 41.96 40.28 2k13 s TYR 55 CO 0.04 -0.09 1.04 1.21 -1.52 0.00 0.00 175.55 176.24 2k13 s ASN 56 N 0.28 7.13 0.00 -0.18 2.47 0.13 -2.39 114.94 122.38 2k13 s ASN 56 Ca -0.06 1.43 0.14 0.00 0.42 0.00 0.00 52.86 54.79 2k13 s ASN 56 Cb -0.15 -2.54 0.23 0.00 -1.45 0.00 0.00 41.25 37.34 2k13 s ASN 56 CO 0.04 -0.62 1.11 1.33 -3.72 0.00 0.00 177.10 175.24 2k13 n VAL 57 N 5.14 0.44 -4.60 -5.21 0.24 -1.05 -4.22 118.33 109.07 2k13 n VAL 57 Ca 0.11 -0.72 -0.28 0.00 -2.04 0.00 0.00 64.34 61.41 2k13 n VAL 57 Cb 0.47 0.95 -0.08 0.00 -1.47 0.00 0.00 33.84 33.71 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 -1.10 0.70 -0.23 3.34 1.01 -1.25 -4.82 120.40 118.05 2k13 s VAL 58 Ca 0.22 -2.00 -0.29 0.00 0.00 0.00 0.00 61.98 59.91 2k13 s VAL 58 Cb 0.13 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 2k13 s VAL 58 CO 0.19 0.00 1.39 1.51 0.00 0.00 0.00 175.10 178.19 2k13 s ASP 59 N -3.70 6.67 -0.21 3.32 -4.77 -1.26 -4.77 116.67 111.95 2k13 s ASP 59 Ca 0.17 1.49 0.19 0.00 -3.30 0.00 0.00 52.55 51.10 2k13 s ASP 59 Cb 0.01 -2.54 0.42 0.00 -1.09 0.00 0.00 42.92 39.73 2k13 s ASP 59 CO 0.11 -1.04 1.22 0.61 0.70 0.00 0.00 175.17 176.77 2k13 n GLY 60 N 4.22 1.58 0.27 2.12 0.00 -1.26 -4.84 105.19 107.28 2k13 n GLY 60 Ca 0.16 -0.70 0.16 0.00 0.00 0.00 0.00 46.02 45.64 2k13 n GLY 60 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2k13 h GLU 61 N 1.66 0.00 -0.01 1.61 4.11 -1.99 0.30 114.58 120.26 2k13 h GLU 61 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 2k13 h GLU 61 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 2k13 h GLU 61 CO 0.03 0.05 0.00 0.39 0.07 0.00 0.00 179.01 179.55 2k13 n GLU 62 N -3.19 1.38 -2.35 1.06 1.02 -1.26 -4.71 120.64 112.58 2k13 n GLU 62 Ca -0.00 -0.55 -0.41 0.00 -0.02 0.00 0.00 57.16 56.18 2k13 n GLU 62 Cb 0.29 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.20 2k13 n GLU 62 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k13 s LEU 63 N -1.99 3.29 -0.11 -4.62 1.43 0.09 -4.95 118.68 111.82 2k13 s LEU 63 Ca 0.42 0.05 -0.10 0.00 -1.03 0.00 0.00 54.13 53.47 2k13 s LEU 63 Cb 0.21 -2.75 -0.05 0.00 0.03 0.00 0.00 46.19 43.64 2k13 s LEU 63 CO 0.35 -1.93 0.21 -0.62 0.23 0.00 0.00 176.35 174.59 2k13 s ASP 64 N 5.17 6.46 0.42 2.29 2.15 -1.26 -4.98 116.67 126.91 2k13 s ASP 64 Ca 0.50 0.55 0.15 0.00 0.43 0.00 0.00 52.55 54.18 2k13 s ASP 64 Cb -0.10 -2.12 0.91 0.00 -0.30 0.00 0.00 42.92 41.30 2k13 s ASP 64 CO 0.20 0.33 1.92 1.56 -0.17 0.00 0.00 175.17 179.01 2k13 h GLN 65 N 5.33 0.00 0.00 4.34 1.08 -1.92 -2.15 115.11 121.79 2k13 h GLN 65 Ca -0.51 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.69 2k13 h GLN 65 Cb 1.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 2k13 h GLN 65 CO 0.63 0.27 -0.54 0.39 -0.95 0.00 0.00 178.83 178.63 2k13 n GLU 66 N -4.12 0.10 0.00 1.46 1.02 -1.26 -2.85 120.64 114.99 2k13 n GLU 66 Ca -0.02 0.02 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 2k13 n GLU 66 Cb 0.33 -1.56 -0.07 0.00 -0.02 0.00 0.00 31.44 30.12 2k13 n GLU 66 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2k13 n LYS 67 N -1.69 0.78 -2.91 3.49 4.01 -0.93 -4.92 118.16 115.99 2k13 n LYS 67 Ca 0.05 -0.36 -0.33 0.00 -0.51 0.00 0.00 58.31 57.16 2k13 n LYS 67 Cb 0.37 -1.43 -0.06 0.00 -0.51 0.00 0.00 35.03 33.39 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 -2.68 3.35 0.35 2.13 0.40 -0.86 -4.89 117.98 115.78 2k13 s PHE 68 Ca 0.11 1.44 0.09 0.00 -0.60 0.00 0.00 56.93 57.97 2k13 s PHE 68 Cb 0.16 -2.72 -0.05 0.00 0.51 0.00 0.00 43.02 40.91 2k13 s PHE 68 CO 0.71 -0.05 0.02 0.08 0.70 0.00 0.00 175.22 176.68 2k13 s VAL 69 N -2.15 2.60 -0.23 -0.44 1.01 -0.81 -4.85 120.40 115.52 2k13 s VAL 69 Ca 0.59 -1.95 -0.27 0.00 0.00 0.00 0.00 61.98 60.34 2k13 s VAL 69 Cb -0.10 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.47 2k13 s VAL 69 CO 0.16 -0.18 0.95 0.54 0.00 0.00 0.00 175.10 176.57 2k13 s VAL 70 N -2.53 4.75 -0.44 2.92 0.11 -1.26 0.15 120.40 124.10 2k13 s VAL 70 Ca 0.35 1.84 -0.11 0.00 -2.93 0.00 0.00 61.98 61.13 2k13 s VAL 70 Cb 0.00 -4.23 0.08 0.00 -1.53 0.00 0.00 36.38 30.71 2k13 s VAL 70 CO 0.20 -0.13 0.31 -0.62 -3.33 0.00 0.00 175.10 171.53 2k13 s ASP 71 N 1.25 5.81 0.56 3.54 2.15 -1.26 -4.70 116.67 124.02 2k13 s ASP 71 Ca 0.40 -1.50 0.27 0.00 0.43 0.00 0.00 52.55 52.15 2k13 s ASP 71 Cb -0.15 -2.05 1.47 0.00 -0.30 0.00 0.00 42.92 41.88 2k13 s ASP 71 CO 0.07 -0.59 1.98 -0.33 -0.17 0.00 0.00 175.17 176.13 2k13 h GLU 72 N 8.52 0.00 -0.66 4.34 3.07 -1.91 -0.85 114.58 127.10 2k13 h GLU 72 Ca -0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 2k13 h GLU 72 Cb 1.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 2k13 h GLU 72 CO 0.81 0.00 0.00 0.27 -1.40 0.00 0.00 179.01 178.69 2k13 n ASN 73 N -4.11 4.20 -4.08 1.42 2.04 -1.26 -4.90 115.26 108.57 2k13 n ASN 73 Ca 0.08 -2.29 -0.18 0.00 -0.44 0.00 0.00 54.58 51.75 2k13 n ASN 73 Cb 0.59 -0.53 -0.13 0.00 -2.53 0.00 0.00 39.78 37.18 2k13 n ASN 73 CO 0.00 0.00 0.00 -0.36 -0.44 0.00 0.00 177.26 176.46 2k13 s PHE 74 N -1.61 0.96 -0.08 -2.53 0.40 -0.32 -0.01 117.98 114.78 2k13 s PHE 74 Ca 0.47 -0.31 0.04 0.00 -0.60 0.00 0.00 56.93 56.52 2k13 s PHE 74 Cb 0.28 -0.58 -0.01 0.00 0.51 0.00 0.00 43.02 43.22 2k13 s PHE 74 CO 0.25 -0.00 -0.20 0.95 0.70 0.00 0.00 175.22 176.92 2k13 s THR 75 N -0.74 2.50 -0.15 0.64 -4.23 -0.19 -3.32 115.64 110.16 2k13 s THR 75 Ca -0.00 -0.89 0.01 0.00 -1.18 0.00 0.00 61.69 59.63 2k13 s THR 75 Cb -0.07 -1.97 0.01 0.00 1.34 0.00 0.00 72.50 71.81 2k13 s THR 75 CO 0.01 0.56 -0.18 -0.70 -0.54 0.00 0.00 174.62 173.76 2k13 s GLU 76 N -0.08 3.11 -0.02 3.99 2.12 -1.05 -1.38 118.70 125.39 2k13 s GLU 76 Ca -0.05 -0.80 0.02 0.00 0.36 0.00 0.00 54.97 54.50 2k13 s GLU 76 Cb -0.14 -2.55 0.01 0.00 0.26 0.00 0.00 34.13 31.70 2k13 s GLU 76 CO 0.04 -0.03 -0.07 0.54 -0.54 0.00 0.00 175.26 175.20 2k13 s ASN 77 N 0.90 0.94 -0.00 -1.70 2.20 -1.01 -3.46 114.94 112.82 2k13 s ASN 77 Ca -0.04 -0.14 0.01 0.00 -0.94 0.00 0.00 52.86 51.74 2k13 s ASN 77 Cb -0.15 -0.27 -0.00 0.00 -2.00 0.00 0.00 41.25 38.83 2k13 s ASN 77 CO -0.03 0.03 -0.03 -0.72 -2.94 0.00 0.00 177.10 173.42 2k13 s TYR 78 N 0.28 0.23 -0.21 1.54 1.13 0.04 -1.47 117.35 118.89 2k13 s TYR 78 Ca -0.04 -0.07 -0.30 0.00 -1.41 0.00 0.00 57.07 55.25 2k13 s TYR 78 Cb -0.08 -0.14 -0.07 0.00 -1.10 0.00 0.00 41.96 40.56 2k13 s TYR 78 CO 0.00 -0.01 2.17 -0.11 -2.51 0.00 0.00 175.55 175.09 2k13 n LEU 79 N 2.94 3.13 -3.93 -3.49 7.94 0.11 -0.33 117.00 123.37 2k13 n LEU 79 Ca -0.13 0.37 -0.30 0.00 -1.11 0.00 0.00 56.01 54.84 2k13 n LEU 79 Cb 0.59 -1.48 -0.15 0.00 0.53 0.00 0.00 43.42 42.91 2k13 n LEU 79 CO 0.25 -0.56 -0.40 -0.89 -1.11 0.00 0.00 177.39 174.68 2k13 s THR 80 N 7.43 1.57 -0.80 1.96 2.01 -1.25 -4.87 115.64 121.69 2k13 s THR 80 Ca 1.01 -1.42 -0.03 0.00 0.31 0.00 0.00 61.69 61.56 2k13 s THR 80 Cb -0.48 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.08 2k13 s THR 80 CO 0.40 -0.25 0.72 0.47 -0.69 0.00 0.00 174.62 175.27 2k13 n ASP 81 N 4.63 -6.48 0.00 3.53 8.00 -1.26 -4.84 116.55 120.12 2k13 n ASP 81 Ca -0.08 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.04 2k13 n ASP 81 Cb 0.43 -4.67 0.00 0.00 -0.02 0.00 0.00 41.12 36.86 2k13 n ASP 81 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k13 n GLU 83 N -2.39 -1.31 -3.82 0.00 4.71 -1.26 -4.81 120.64 111.75 2k13 n GLU 83 Ca 0.00 0.49 -0.09 0.00 -0.01 0.00 0.00 57.16 57.55 2k13 n GLU 83 Cb 0.00 -4.69 0.02 0.00 -1.01 0.00 0.00 31.44 25.76 2k13 n GLU 83 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2k13 s GLY 84 N -1.75 0.35 0.00 0.62 0.00 -1.26 -5.14 107.32 100.14 2k13 s GLY 84 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 44.00 2k13 s GLY 84 CO 0.00 -0.31 0.00 0.28 0.00 0.00 0.00 173.10 173.07 2k13 n LYS 85 N -0.52 0.00 0.00 2.90 4.01 -1.26 -4.76 118.16 118.53 2k13 n LYS 85 Ca -0.08 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.72 2k13 n LYS 85 Cb 0.60 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.12 2k13 n LYS 85 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2k13 n ASP 86 N -0.63 0.00 -3.85 4.39 2.03 -1.26 -3.64 116.55 113.59 2k13 n ASP 86 Ca 0.00 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.01 2k13 n ASP 86 Cb 0.00 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.26 2k13 n ASP 86 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k13 s ALA 87 N -1.00 2.43 -0.31 -1.67 0.00 -1.26 -4.99 121.76 114.95 2k13 s ALA 87 Ca 0.00 -2.46 -0.00 0.00 0.00 0.00 0.00 51.96 49.50 2k13 s ALA 87 Cb 0.00 -1.89 0.06 0.00 0.00 0.00 0.00 23.12 21.29 2k13 s ALA 87 CO 0.00 -1.84 0.00 0.20 0.00 0.00 0.00 175.76 174.13 2k13 s GLY 88 N 0.74 1.78 -0.29 0.00 0.00 -1.24 -4.97 107.32 103.34 2k13 s GLY 88 Ca 0.13 -1.93 -0.13 0.00 0.00 0.00 0.00 44.72 42.80 2k13 s GLY 88 CO -0.09 0.74 0.66 0.21 0.00 0.00 0.00 173.10 174.62 2k13 s ASN 89 N 1.25 -1.05 -0.31 1.64 3.84 -1.26 -0.72 114.94 118.34 2k13 s ASN 89 Ca -0.03 1.54 -0.00 0.00 0.21 0.00 0.00 52.86 54.58 2k13 s ASN 89 Cb -0.20 1.88 0.14 0.00 -0.55 0.00 0.00 41.25 42.52 2k13 s ASN 89 CO -0.03 -0.23 0.29 0.00 -2.79 0.00 0.00 177.10 174.34 2k13 s ALA 90 N 2.33 -0.30 -1.10 1.71 0.00 -1.26 -4.94 121.76 118.20 2k13 s ALA 90 Ca -0.08 -0.58 -0.13 0.00 0.00 0.00 0.00 51.96 51.18 2k13 s ALA 90 Cb -0.09 -1.80 0.20 0.00 0.00 0.00 0.00 23.12 21.44 2k13 s ALA 90 CO -0.19 -1.80 1.22 0.00 0.00 0.00 0.00 175.76 174.98 2k13 s ALA 91 N 2.11 4.15 0.00 0.00 0.00 -1.26 -4.48 121.76 122.28 2k13 s ALA 91 Ca 0.11 -3.42 0.00 0.00 0.00 0.00 0.00 51.96 48.65 2k13 s ALA 91 Cb -0.15 -3.87 0.00 0.00 0.00 0.00 0.00 23.12 19.10 2k13 s ALA 91 CO -0.27 -2.57 0.24 0.41 0.00 0.00 0.00 175.76 173.58 2k13 n GLY 92 N 3.85 -0.61 3.63 0.00 0.00 -1.26 -4.93 105.19 105.87 2k13 n GLY 92 Ca 0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.03 3.74 -1.89 2.61 -4.23 -1.26 -1.53 115.64 113.05 2k13 s THR 93 Ca 0.00 0.83 0.00 0.00 -1.18 0.00 0.00 61.69 61.34 2k13 s THR 93 Cb 0.00 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 70.08 2k13 s THR 93 CO 0.00 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 2k13 n GLY 94 N 4.64 1.35 0.10 3.99 0.00 -1.26 -4.89 105.19 109.13 2k13 n GLY 94 Ca 0.18 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 2k13 n GLY 94 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2k13 h ASP 95 N 0.00 0.20 -3.61 1.61 3.58 -1.61 -3.46 116.42 113.13 2k13 h ASP 95 Ca -0.39 -0.37 -0.51 0.00 0.42 0.00 0.00 57.03 56.17 2k13 h ASP 95 Cb 1.23 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 42.19 2k13 h ASP 95 CO 0.55 1.33 0.03 -0.70 -2.88 0.00 0.00 179.24 177.57 2k13 s GLU 96 N -2.60 3.97 -0.04 0.28 -6.30 -1.26 -4.71 118.70 108.04 2k13 s GLU 96 Ca -0.10 0.57 -0.00 0.00 -2.50 0.00 0.00 54.97 52.94 2k13 s GLU 96 Cb 0.07 -2.56 0.00 0.00 0.00 0.00 0.00 34.13 31.65 2k13 s GLU 96 CO 0.82 0.24 0.00 0.43 0.02 0.00 0.00 175.26 176.77 2k13 n SER 97 N -0.14 -2.79 -4.64 -1.70 7.64 -1.26 -4.74 113.62 106.00 2k13 n SER 97 Ca 0.02 0.22 -0.39 0.00 1.01 0.00 0.00 58.87 59.73 2k13 n SER 97 Cb 0.53 -1.66 -0.08 0.00 -1.01 0.00 0.00 64.21 61.98 2k13 n SER 97 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2k13 s ASP 98 N -0.23 6.38 -0.02 6.43 1.11 -1.26 -4.52 116.67 124.55 2k13 s ASP 98 Ca -0.01 0.44 -0.04 0.00 0.18 0.00 0.00 52.55 53.13 2k13 s ASP 98 Cb 0.00 -2.24 -0.01 0.00 1.07 0.00 0.00 42.92 41.74 2k13 s ASP 98 CO 0.12 -0.16 -0.07 1.21 1.18 0.00 0.00 175.17 177.45 2k13 n GLU 99 N 5.02 0.10 -0.02 8.23 2.13 -0.74 -4.91 120.64 130.45 2k13 n GLU 99 Ca -0.07 0.04 -0.01 0.00 0.66 0.00 0.00 57.16 57.77 2k13 n GLU 99 Cb 0.51 -0.54 -0.00 0.00 0.27 0.00 0.00 31.44 31.68 2k13 n GLU 99 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2k13 h VAL 100 N -0.20 0.00 0.00 6.31 2.07 -1.28 -3.48 116.25 119.68 2k13 h VAL 100 Ca 0.00 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2k13 h VAL 100 Cb 0.20 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 2k13 h VAL 100 CO 0.00 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 176.92 2k13 n ASP 101 N -3.09 0.00 -0.38 0.57 2.03 -1.26 -4.87 116.55 109.56 2k13 n ASP 101 Ca -0.02 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.34 2k13 n ASP 101 Cb 0.08 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.51 2k13 n ASP 101 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2k13 n GLU 102 N -0.49 1.02 0.00 -0.67 2.13 -1.26 -4.90 120.64 116.47 2k13 n GLU 102 Ca 0.00 -0.99 0.00 0.00 0.66 0.00 0.00 57.16 56.83 2k13 n GLU 102 Cb 0.00 -1.18 0.00 0.00 0.27 0.00 0.00 31.44 30.53 2k13 n GLU 102 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32