#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 2.34 -4.07 3.49 2.13 -1.26 -4.28 120.64 118.98 2k13 n GLU 2 Ca 0.00 -2.14 -0.35 0.00 0.66 0.00 0.00 57.16 55.34 2k13 n GLU 2 Cb 0.00 -1.46 -0.14 0.00 0.27 0.00 0.00 31.44 30.11 2k13 n GLU 2 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2k13 s ARG 3 N -1.45 3.39 0.25 5.31 0.52 -1.26 -4.94 118.95 120.78 2k13 s ARG 3 Ca 0.34 -0.63 0.06 0.00 -0.52 0.00 0.00 55.73 54.98 2k13 s ARG 3 Cb 0.20 -2.94 -0.03 0.00 0.52 0.00 0.00 34.95 32.71 2k13 s ARG 3 CO 0.29 -0.10 0.29 -1.21 0.02 0.00 0.00 175.30 174.58 2k13 s GLU 4 N 1.22 3.16 0.64 3.54 2.02 -1.26 -4.85 118.70 123.18 2k13 s GLU 4 Ca 0.03 -0.93 -0.11 0.00 0.02 0.00 0.00 54.97 53.98 2k13 s GLU 4 Cb -0.14 -2.72 0.16 0.00 0.10 0.00 0.00 34.13 31.53 2k13 s GLU 4 CO -0.02 0.39 0.46 -0.25 0.02 0.00 0.00 175.26 175.86 2k13 n ASP 5 N -1.31 -2.28 -4.39 -0.19 9.92 -1.26 -3.33 116.55 113.70 2k13 n ASP 5 Ca -0.08 -0.61 -0.45 0.00 -0.53 0.00 0.00 54.79 53.13 2k13 n ASP 5 Cb 0.58 -0.47 -0.04 0.00 -0.64 0.00 0.00 41.12 40.55 2k13 n ASP 5 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k13 s TRP 7 N 2.57 3.41 -0.17 0.00 0.51 -1.26 -4.03 118.94 119.98 2k13 s TRP 7 Ca 0.17 0.32 -0.07 0.00 -2.12 0.00 0.00 56.10 54.40 2k13 s TRP 7 Cb -0.18 -2.09 -0.04 0.00 -0.81 0.00 0.00 33.47 30.35 2k13 s TRP 7 CO 0.02 0.36 0.07 -0.08 -0.51 0.00 0.00 176.95 176.81 2k13 s THR 8 N 0.06 4.85 -0.15 2.01 -1.32 0.02 -4.56 115.64 116.54 2k13 s THR 8 Ca 0.09 -0.02 -0.18 0.00 -1.21 0.00 0.00 61.69 60.36 2k13 s THR 8 Cb -0.11 -3.16 -0.04 0.00 -1.51 0.00 0.00 72.50 67.68 2k13 s THR 8 CO -0.00 0.49 0.50 0.12 -2.21 0.00 0.00 174.62 173.52 2k13 s PHE 9 N 0.09 3.46 -0.11 9.09 5.36 -1.26 -2.14 117.98 132.47 2k13 s PHE 9 Ca 0.06 0.85 -0.08 0.00 -0.96 0.00 0.00 56.93 56.80 2k13 s PHE 9 Cb -0.12 -2.61 -0.03 0.00 -0.34 0.00 0.00 43.02 39.93 2k13 s PHE 9 CO 0.01 0.05 -0.15 0.98 -1.46 0.00 0.00 175.22 174.65 2k13 n TYR 10 N 4.14 0.59 -3.61 10.12 9.36 -1.20 -4.94 117.16 131.62 2k13 n TYR 10 Ca -0.06 0.26 -0.02 0.00 3.32 0.00 0.00 57.90 61.40 2k13 n TYR 10 Cb 0.51 -0.60 -0.01 0.00 -0.63 0.00 0.00 39.34 38.61 2k13 n TYR 10 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2k13 s ALA 11 N -2.82 -2.14 -0.30 2.98 0.00 -1.26 -5.09 121.76 113.12 2k13 s ALA 11 Ca -0.12 1.27 -0.25 0.00 0.00 0.00 0.00 51.96 52.86 2k13 s ALA 11 Cb 0.02 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.19 2k13 s ALA 11 CO 0.18 -0.77 0.88 -0.80 0.00 0.00 0.00 175.76 175.25 2k13 s ASN 12 N -2.48 6.78 0.24 0.00 0.02 -1.26 -3.38 114.94 114.86 2k13 s ASN 12 Ca 0.11 0.84 -0.16 0.00 -1.02 0.00 0.00 52.86 52.64 2k13 s ASN 12 Cb 0.01 -2.45 0.01 0.00 0.02 0.00 0.00 41.25 38.84 2k13 s ASN 12 CO -0.04 -0.67 0.54 -0.13 0.02 0.00 0.00 177.10 176.82 2k13 s ARG 13 N 3.13 1.55 -0.26 -0.60 0.52 -1.24 -4.75 118.95 117.29 2k13 s ARG 13 Ca 0.37 -1.07 -0.25 0.00 -0.52 0.00 0.00 55.73 54.25 2k13 s ARG 13 Cb -0.14 0.52 0.09 0.00 0.52 0.00 0.00 34.95 35.93 2k13 s ARG 13 CO 0.12 -0.66 0.82 0.21 0.02 0.00 0.00 175.30 175.81 2k13 s LYS 14 N -3.95 0.74 -0.30 3.54 2.20 0.44 -4.21 119.74 118.20 2k13 s LYS 14 Ca 0.16 0.84 -0.02 0.00 -0.36 0.00 0.00 55.97 56.59 2k13 s LYS 14 Cb -0.02 0.36 0.11 0.00 -1.51 0.00 0.00 37.83 36.77 2k13 s LYS 14 CO 0.05 -0.10 2.38 0.98 -0.36 0.00 0.00 175.35 178.30 2k13 n TYR 15 N 2.46 1.29 0.00 4.03 9.36 -1.25 -3.31 117.16 129.74 2k13 n TYR 15 Ca -0.14 -1.84 0.00 0.00 3.32 0.00 0.00 57.90 59.25 2k13 n TYR 15 Cb 0.55 -1.10 0.00 0.00 -0.63 0.00 0.00 39.34 38.16 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 0.79 0.00 -4.39 2.97 -2.24 -1.26 -4.86 114.28 105.29 2k13 n THR 16 Ca 0.34 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.85 2k13 n THR 16 Cb 0.59 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.73 2k13 n THR 16 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2k13 s ASP 17 N 0.00 4.14 -0.17 3.42 1.47 -1.26 -5.02 116.67 119.25 2k13 s ASP 17 Ca 0.00 -1.25 0.15 0.00 1.18 0.00 0.00 52.55 52.63 2k13 s ASP 17 Cb 0.00 -0.39 0.43 0.00 -0.34 0.00 0.00 42.92 42.63 2k13 s ASP 17 CO 0.00 -0.52 1.20 0.49 0.68 0.00 0.00 175.17 177.02 2k13 n PHE 18 N -1.11 0.45 0.33 2.11 3.72 -1.26 -4.84 117.46 116.85 2k13 n PHE 18 Ca -0.04 -1.39 0.20 0.00 -0.05 0.00 0.00 57.45 56.17 2k13 n PHE 18 Cb 0.66 -0.24 1.08 0.00 -0.94 0.00 0.00 39.48 40.05 2k13 n PHE 18 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2k13 h ASP 19 N 1.26 0.00 0.12 4.37 3.58 -1.97 -1.06 116.42 122.71 2k13 h ASP 19 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2k13 h ASP 19 Cb 1.31 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.36 2k13 h ASP 19 CO 0.14 0.00 0.00 2.29 -2.88 0.00 0.00 179.24 178.79 2k13 n LYS 20 N -3.15 0.67 -1.74 0.28 0.00 -1.26 -4.93 118.16 108.02 2k13 n LYS 20 Ca -0.02 0.02 -0.01 0.00 -0.00 0.00 0.00 58.31 58.29 2k13 n LYS 20 Cb 0.16 -1.50 -0.01 0.00 -0.00 0.00 0.00 35.03 33.68 2k13 n LYS 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2k13 n SER 21 N -1.07 -2.25 -4.37 -5.58 7.64 -0.40 -4.24 113.62 103.34 2k13 n SER 21 Ca 0.17 0.29 -0.27 0.00 1.01 0.00 0.00 58.87 60.08 2k13 n SER 21 Cb 0.11 -1.91 -0.12 0.00 -1.01 0.00 0.00 64.21 61.28 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 -0.22 2.14 -0.08 1.43 0.40 -1.26 -2.52 117.98 117.88 2k13 s PHE 22 Ca -0.04 -0.39 0.02 0.00 -0.60 0.00 0.00 56.93 55.92 2k13 s PHE 22 Cb 0.00 -1.13 -0.02 0.00 0.51 0.00 0.00 43.02 42.38 2k13 s PHE 22 CO 0.17 0.35 -0.12 0.21 0.70 0.00 0.00 175.22 176.53 2k13 s LYS 23 N -2.25 2.81 -0.14 0.44 2.20 -0.69 -4.86 119.74 117.23 2k13 s LYS 23 Ca 0.14 -0.65 0.02 0.00 -0.36 0.00 0.00 55.97 55.11 2k13 s LYS 23 Cb -0.09 -2.50 0.01 0.00 -1.51 0.00 0.00 37.83 33.74 2k13 s LYS 23 CO 0.07 0.52 -0.19 -1.59 -0.36 0.00 0.00 175.35 173.80 2k13 s LYS 24 N -0.46 2.71 -0.19 4.03 -2.85 -1.26 -1.04 119.74 120.70 2k13 s LYS 24 Ca 0.06 -0.74 -0.11 0.00 -1.00 0.00 0.00 55.97 54.18 2k13 s LYS 24 Cb -0.12 -2.28 0.06 0.00 -2.06 0.00 0.00 37.83 33.43 2k13 s LYS 24 CO 0.02 -0.10 0.46 -1.12 0.10 0.00 0.00 175.35 174.71 2k13 s SER 25 N 1.05 -0.58 -0.61 0.03 0.01 -0.99 -5.01 113.70 107.61 2k13 s SER 25 Ca -0.03 0.99 -0.16 0.00 1.31 0.00 0.00 55.95 58.07 2k13 s SER 25 Cb -0.14 0.89 0.14 0.00 0.21 0.00 0.00 66.02 67.12 2k13 s SER 25 CO -0.05 -0.20 0.59 -0.44 0.41 0.00 0.00 173.24 173.55 2k13 s SER 26 N 1.24 6.31 -0.12 2.44 0.01 -1.26 -4.33 113.70 117.99 2k13 s SER 26 Ca -0.08 -1.92 -0.01 0.00 1.31 0.00 0.00 55.95 55.25 2k13 s SER 26 Cb -0.07 -2.23 0.04 0.00 0.21 0.00 0.00 66.02 63.97 2k13 s SER 26 CO -0.12 -0.85 -0.01 -1.81 0.41 0.00 0.00 173.24 170.87 2k13 s ASP 27 N 3.33 2.14 0.04 2.44 1.01 -1.26 -4.99 116.67 119.38 2k13 s ASP 27 Ca 0.08 -0.36 -0.24 0.00 0.71 0.00 0.00 52.55 52.74 2k13 s ASP 27 Cb -0.25 -0.61 -0.17 0.00 1.01 0.00 0.00 42.92 42.90 2k13 s ASP 27 CO 0.01 -0.20 1.51 0.25 0.21 0.00 0.00 175.17 176.95 2k13 h LEU 28 N 8.25 0.04 0.11 1.23 6.46 -1.96 0.21 115.31 129.64 2k13 h LEU 28 Ca -0.21 -0.25 -0.01 0.00 -0.12 0.00 0.00 57.88 57.29 2k13 h LEU 28 Cb 1.12 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.04 2k13 h LEU 28 CO 0.32 0.27 -0.05 0.44 -0.62 0.00 0.00 178.44 178.80 2k13 h ASP 29 N -0.20 -0.12 -0.81 1.25 5.19 -1.98 -3.27 116.42 116.48 2k13 h ASP 29 Ca 0.01 -0.16 -0.04 0.00 -0.62 0.00 0.00 57.03 56.21 2k13 h ASP 29 Cb 0.25 0.03 -0.04 0.00 0.18 0.00 0.00 39.33 39.76 2k13 h ASP 29 CO 0.00 0.09 0.33 -0.33 -3.12 0.00 0.00 179.24 176.22 2k13 h GLU 30 N -0.34 1.21 -0.17 3.56 3.07 -1.87 -2.62 114.58 117.41 2k13 h GLU 30 Ca -0.01 -0.21 0.03 0.00 -0.50 0.00 0.00 59.36 58.66 2k13 h GLU 30 Cb 0.28 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 2k13 h GLU 30 CO 0.02 0.97 -0.02 0.00 -1.40 0.00 0.00 179.01 178.58 2k13 h LYS 32 N 0.03 0.60 -0.57 0.00 6.56 -1.61 0.17 116.57 121.75 2k13 h LYS 32 Ca 0.08 -0.13 -0.01 0.00 -1.06 0.00 0.00 60.65 59.52 2k13 h LYS 32 Cb 0.11 -0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 31.66 2k13 h LYS 32 CO -0.16 0.62 0.31 1.57 -2.06 0.00 0.00 179.45 179.73 2k13 h LYS 33 N 0.47 0.80 -0.66 3.15 2.10 -1.12 0.27 116.57 121.57 2k13 h LYS 33 Ca 0.12 -0.10 -0.03 0.00 -2.00 0.00 0.00 60.65 58.64 2k13 h LYS 33 Cb 0.28 -0.15 -0.03 0.00 -0.90 0.00 0.00 32.23 31.42 2k13 h LYS 33 CO -0.00 0.62 0.30 1.15 -2.00 0.00 0.00 179.45 179.52 2k13 h THR 34 N 0.77 1.23 -0.52 0.07 2.02 0.79 -0.48 112.91 116.80 2k13 h THR 34 Ca 0.20 -0.68 0.02 0.00 0.77 0.00 0.00 66.41 66.71 2k13 h THR 34 Cb 0.06 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 2k13 h THR 34 CO -0.03 0.28 0.32 0.00 0.37 0.00 0.00 175.52 176.46 2k13 h PHE 36 N 0.65 0.69 -0.70 0.00 0.04 0.25 -1.08 116.94 116.79 2k13 h PHE 36 Ca 0.20 -0.03 0.10 0.00 2.80 0.00 0.00 57.97 61.04 2k13 h PHE 36 Cb -0.01 -0.21 -0.08 0.00 2.20 0.00 0.00 35.95 37.85 2k13 h PHE 36 CO -0.06 0.55 0.32 0.87 -0.60 0.00 0.00 178.31 179.40 2k13 h LYS 37 N 0.68 0.52 0.00 1.51 1.79 -0.77 -3.45 116.57 116.85 2k13 h LYS 37 Ca 0.16 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 2k13 h LYS 37 Cb 0.16 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2k13 h LYS 37 CO -0.01 0.34 0.00 2.41 -1.08 0.00 0.00 179.45 181.11 2k13 n THR 38 N -4.92 0.00 -0.06 -0.16 -1.04 -0.41 -4.98 114.28 102.72 2k13 n THR 38 Ca 0.11 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.07 2k13 n THR 38 Cb 0.31 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.77 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 -0.21 -2.82 3.07 -1.86 -3.41 114.58 109.34 2k13 h GLU 39 Ca 0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 2k13 h GLU 39 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2k13 h GLU 39 CO 0.00 0.35 -0.17 1.88 -1.40 0.00 0.00 179.01 179.67 2k13 h TYR 40 N -1.00 0.39 0.00 4.33 0.05 -1.89 -3.48 116.97 115.38 2k13 h TYR 40 Ca -0.00 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.72 2k13 h TYR 40 Cb 0.36 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 37.99 2k13 h TYR 40 CO 0.10 0.52 0.00 0.00 -1.05 0.00 0.00 178.16 177.73 2k13 n TYR 42 N 0.00 0.00 -4.71 0.00 0.18 -1.26 -4.96 117.16 106.41 2k13 n TYR 42 Ca 0.00 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.55 2k13 n TYR 42 Cb 0.00 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 38.81 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 0.00 1.25 0.01 -3.48 -1.09 -1.26 0.17 121.20 116.80 2k13 s ILE 43 Ca 0.00 -0.72 0.01 0.00 -2.23 0.00 0.00 60.65 57.72 2k13 s ILE 43 Cb 0.00 -1.05 -0.01 0.00 -1.58 0.00 0.00 42.46 39.82 2k13 s ILE 43 CO 0.00 0.32 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.30 2k13 s VAL 44 N -0.42 0.33 -0.05 2.92 1.01 -0.86 -0.38 120.40 122.96 2k13 s VAL 44 Ca 0.06 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.55 2k13 s VAL 44 Cb -0.06 -0.35 0.02 0.00 0.00 0.00 0.00 36.38 35.99 2k13 s VAL 44 CO -0.00 -0.12 -0.09 -0.36 0.00 0.00 0.00 175.10 174.53 2k13 s PHE 45 N -0.61 1.11 0.19 5.22 0.08 0.33 -2.44 117.98 121.86 2k13 s PHE 45 Ca -0.04 -0.36 0.10 0.00 0.12 0.00 0.00 56.93 56.74 2k13 s PHE 45 Cb -0.05 -0.86 -0.04 0.00 -0.57 0.00 0.00 43.02 41.50 2k13 s PHE 45 CO -0.00 -0.22 -0.20 -1.21 -0.10 0.00 0.00 175.22 173.49 2k13 s GLU 46 N 0.69 1.41 -0.20 0.44 2.02 -0.91 -1.01 118.70 121.13 2k13 s GLU 46 Ca -0.12 -1.51 -0.23 0.00 0.02 0.00 0.00 54.97 53.14 2k13 s GLU 46 Cb -0.14 -1.53 -0.02 0.00 0.10 0.00 0.00 34.13 32.54 2k13 s GLU 46 CO 0.02 0.31 0.72 0.34 0.02 0.00 0.00 175.26 176.67 2k13 s ASP 47 N -2.84 6.78 0.28 -0.19 -1.08 0.84 0.10 116.67 120.55 2k13 s ASP 47 Ca 0.20 0.95 0.01 0.00 -0.52 0.00 0.00 52.55 53.19 2k13 s ASP 47 Cb -0.06 -2.39 0.40 0.00 -1.46 0.00 0.00 42.92 39.41 2k13 s ASP 47 CO 0.09 -0.36 1.76 0.74 0.52 0.00 0.00 175.17 177.92 2k13 h THR 48 N 5.25 1.24 0.11 1.71 2.02 -0.74 0.48 112.91 122.98 2k13 h THR 48 Ca -0.29 -1.07 -0.14 0.00 0.77 0.00 0.00 66.41 65.67 2k13 h THR 48 Cb 1.13 1.07 0.02 0.00 -1.74 0.00 0.00 68.15 68.63 2k13 h THR 48 CO 0.81 0.36 -0.64 0.58 0.37 0.00 0.00 175.52 176.99 2k13 h VAL 49 N 0.58 1.56 0.00 3.16 2.07 -1.93 -3.31 116.25 118.38 2k13 h VAL 49 Ca 0.11 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.14 2k13 h VAL 49 Cb 0.52 3.23 0.00 0.00 -1.52 0.00 0.00 31.29 33.52 2k13 h VAL 49 CO 0.03 0.69 -1.26 0.59 0.02 0.00 0.00 177.57 177.64 2k13 n ASN 50 N -4.24 0.55 -2.80 0.57 3.02 -1.23 -4.93 115.26 106.20 2k13 n ASN 50 Ca -0.13 0.05 -0.21 0.00 -0.03 0.00 0.00 54.58 54.26 2k13 n ASN 50 Cb 0.74 0.96 0.03 0.00 -0.61 0.00 0.00 39.78 40.90 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 -2.31 -4.55 -2.46 3.52 4.76 0.17 -4.95 118.16 112.33 2k13 n LYS 51 Ca -0.00 0.85 -0.41 0.00 -2.87 0.00 0.00 58.31 55.88 2k13 n LYS 51 Cb 0.51 -5.57 -0.04 0.00 -1.84 0.00 0.00 35.03 28.09 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 -5.61 4.56 -0.24 1.97 0.41 -0.98 -4.76 118.70 114.05 2k13 s GLU 52 Ca 0.28 1.78 -0.04 0.00 -0.41 0.00 0.00 54.97 56.58 2k13 s GLU 52 Cb -0.12 -3.25 -0.00 0.00 -1.78 0.00 0.00 34.13 28.97 2k13 s GLU 52 CO 0.35 0.04 -0.01 0.00 -0.49 0.00 0.00 175.26 175.14 2k13 s TYR 54 N 1.47 2.59 -0.11 0.00 1.51 -0.18 -2.34 117.35 120.29 2k13 s TYR 54 Ca 0.04 -1.19 0.03 0.00 -1.01 0.00 0.00 57.07 54.94 2k13 s TYR 54 Cb -0.15 -1.75 -0.01 0.00 -0.11 0.00 0.00 41.96 39.94 2k13 s TYR 54 CO -0.02 -0.52 -0.20 1.52 -1.11 0.00 0.00 175.55 175.22 2k13 s TYR 55 N 0.61 2.63 -0.20 2.71 1.13 -0.20 -0.51 117.35 123.52 2k13 s TYR 55 Ca -0.12 -0.88 -0.29 0.00 -1.41 0.00 0.00 57.07 54.37 2k13 s TYR 55 Cb -0.17 -1.74 -0.02 0.00 -1.10 0.00 0.00 41.96 38.93 2k13 s TYR 55 CO 0.03 -0.32 1.47 1.21 -2.51 0.00 0.00 175.55 175.43 2k13 s ASN 56 N 0.28 6.62 -0.02 -0.18 2.47 0.49 -1.71 114.94 122.89 2k13 s ASN 56 Ca -0.15 1.64 0.14 0.00 0.42 0.00 0.00 52.86 54.92 2k13 s ASN 56 Cb -0.17 -2.54 -0.21 0.00 -1.45 0.00 0.00 41.25 36.88 2k13 s ASN 56 CO 0.07 -1.05 0.35 1.33 -3.72 0.00 0.00 177.10 174.08 2k13 n VAL 57 N 5.97 0.00 -3.41 -5.21 0.24 -1.05 -4.21 118.33 110.68 2k13 n VAL 57 Ca 0.16 -0.31 -0.02 0.00 -2.04 0.00 0.00 64.34 62.14 2k13 n VAL 57 Cb 0.45 0.27 0.00 0.00 -1.47 0.00 0.00 33.84 33.10 2k13 n VAL 57 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2k13 n VAL 58 N -1.91 0.00 -2.04 3.34 0.31 -1.23 -4.29 118.33 112.49 2k13 n VAL 58 Ca -0.02 -0.19 -0.42 0.00 -0.01 0.00 0.00 64.34 63.70 2k13 n VAL 58 Cb 0.35 -0.58 -0.03 0.00 -0.91 0.00 0.00 33.84 32.68 2k13 n VAL 58 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 2k13 s ASP 59 N -1.30 6.70 0.00 4.52 -4.77 -1.26 -4.79 116.67 115.77 2k13 s ASP 59 Ca 0.03 2.24 0.00 0.00 -3.30 0.00 0.00 52.55 51.53 2k13 s ASP 59 Cb -0.00 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.28 2k13 s ASP 59 CO 0.02 -0.88 0.66 0.61 0.70 0.00 0.00 175.17 176.29 2k13 n GLY 60 N 4.00 -0.38 0.24 2.12 0.00 -1.26 -4.79 105.19 105.12 2k13 n GLY 60 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 0.00 -0.04 1.61 4.11 -1.97 0.12 114.58 118.41 2k13 h GLU 61 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2k13 h GLU 61 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2k13 h GLU 61 CO 0.00 0.16 0.00 0.39 0.07 0.00 0.00 179.01 179.63 2k13 n GLU 62 N -3.38 1.21 -1.95 1.06 1.02 -1.26 -4.73 120.64 112.61 2k13 n GLU 62 Ca -0.00 -0.31 -0.40 0.00 -0.02 0.00 0.00 57.16 56.42 2k13 n GLU 62 Cb 0.36 -1.37 -0.03 0.00 -0.02 0.00 0.00 31.44 30.38 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 -1.69 3.40 -0.69 -4.62 1.43 0.03 -4.88 118.68 111.66 2k13 s LEU 63 Ca 0.33 0.89 -0.25 0.00 -1.03 0.00 0.00 54.13 54.07 2k13 s LEU 63 Cb 0.16 -2.98 0.05 0.00 0.03 0.00 0.00 46.19 43.45 2k13 s LEU 63 CO 0.26 -2.14 1.12 -0.62 0.23 0.00 0.00 176.35 175.20 2k13 s ASP 64 N 7.74 6.18 0.24 2.29 -1.08 -1.26 -4.91 116.67 125.87 2k13 s ASP 64 Ca 0.77 -0.70 -0.04 0.00 -0.52 0.00 0.00 52.55 52.06 2k13 s ASP 64 Cb -0.18 -2.49 0.40 0.00 -1.46 0.00 0.00 42.92 39.20 2k13 s ASP 64 CO 0.27 -1.62 1.80 -0.61 0.52 0.00 0.00 175.17 175.53 2k13 h GLN 65 N 9.78 0.73 -0.00 4.34 5.75 -1.95 -2.24 115.11 131.51 2k13 h GLN 65 Ca -0.28 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.17 2k13 h GLN 65 Cb 1.06 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.45 2k13 h GLN 65 CO 1.23 0.48 -0.05 0.39 -2.65 0.00 0.00 178.83 178.22 2k13 n GLU 66 N -4.77 0.04 -0.21 1.69 4.71 -1.26 -2.69 120.64 118.15 2k13 n GLU 66 Ca 0.14 -0.00 0.09 0.00 -0.01 0.00 0.00 57.16 57.38 2k13 n GLU 66 Cb 0.29 -1.50 0.26 0.00 -1.01 0.00 0.00 31.44 29.48 2k13 n GLU 66 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2k13 n LYS 67 N -1.47 2.16 -2.68 3.49 4.01 -0.84 -4.87 118.16 117.95 2k13 n LYS 67 Ca 0.08 -1.79 -0.33 0.00 -0.51 0.00 0.00 58.31 55.76 2k13 n LYS 67 Cb 0.33 -1.42 -0.06 0.00 -0.51 0.00 0.00 35.03 33.37 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 -1.44 3.30 0.36 2.13 0.40 -1.10 -4.93 117.98 116.72 2k13 s PHE 68 Ca 0.35 1.57 0.08 0.00 -0.60 0.00 0.00 56.93 58.34 2k13 s PHE 68 Cb 0.19 -2.86 -0.05 0.00 0.51 0.00 0.00 43.02 40.80 2k13 s PHE 68 CO 0.26 -0.26 0.07 0.08 0.70 0.00 0.00 175.22 176.07 2k13 s VAL 69 N -2.26 2.53 -0.32 -0.44 1.01 -1.21 -4.89 120.40 114.81 2k13 s VAL 69 Ca 0.62 -1.88 -0.14 0.00 0.00 0.00 0.00 61.98 60.58 2k13 s VAL 69 Cb -0.10 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 2k13 s VAL 69 CO 0.18 -0.13 0.30 -0.69 0.00 0.00 0.00 175.10 174.77 2k13 s VAL 70 N -2.55 5.22 -0.46 2.92 1.01 -1.25 0.17 120.40 125.46 2k13 s VAL 70 Ca 0.37 0.08 -0.16 0.00 0.00 0.00 0.00 61.98 62.27 2k13 s VAL 70 Cb 0.02 -3.73 0.06 0.00 0.00 0.00 0.00 36.38 32.73 2k13 s VAL 70 CO 0.20 0.03 0.42 -1.81 0.00 0.00 0.00 175.10 173.94 2k13 s ASP 71 N 1.72 6.16 0.45 3.32 1.01 -1.25 -4.62 116.67 123.46 2k13 s ASP 71 Ca 0.10 -1.15 0.31 0.00 0.71 0.00 0.00 52.55 52.52 2k13 s ASP 71 Cb -0.17 -2.20 1.56 0.00 1.01 0.00 0.00 42.92 43.13 2k13 s ASP 71 CO 0.11 -0.65 1.94 -0.33 0.21 0.00 0.00 175.17 176.45 2k13 h GLU 72 N 8.77 0.00 -0.23 8.23 3.07 -1.90 -1.14 114.58 131.38 2k13 h GLU 72 Ca -0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 2k13 h GLU 72 Cb 1.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 2k13 h GLU 72 CO 0.86 0.00 0.00 0.27 -1.40 0.00 0.00 179.01 178.74 2k13 n ASN 73 N -2.63 1.98 -4.20 1.42 6.94 -1.26 -4.87 115.26 112.64 2k13 n ASN 73 Ca -0.01 -1.80 -0.15 0.00 -0.02 0.00 0.00 54.58 52.61 2k13 n ASN 73 Cb 0.12 -0.15 -0.11 0.00 -2.36 0.00 0.00 39.78 37.28 2k13 n ASN 73 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 2k13 s PHE 74 N -1.70 1.15 -0.04 -2.53 0.40 -0.43 -0.01 117.98 114.82 2k13 s PHE 74 Ca 0.32 -0.66 0.06 0.00 -0.60 0.00 0.00 56.93 56.05 2k13 s PHE 74 Cb 0.17 -0.61 -0.02 0.00 0.51 0.00 0.00 43.02 43.07 2k13 s PHE 74 CO 0.26 0.03 -0.23 0.95 0.70 0.00 0.00 175.22 176.93 2k13 s THR 75 N -2.58 2.28 -0.10 0.64 -4.23 0.11 -3.69 115.64 108.08 2k13 s THR 75 Ca 0.08 -1.01 0.02 0.00 -1.18 0.00 0.00 61.69 59.60 2k13 s THR 75 Cb -0.02 -1.82 0.01 0.00 1.34 0.00 0.00 72.50 72.01 2k13 s THR 75 CO 0.00 0.58 -0.17 -1.83 -0.54 0.00 0.00 174.62 172.66 2k13 s GLU 76 N -0.52 2.38 0.00 3.99 -1.05 -1.22 -2.15 118.70 120.14 2k13 s GLU 76 Ca 0.07 -0.63 0.01 0.00 -0.15 0.00 0.00 54.97 54.27 2k13 s GLU 76 Cb -0.11 -1.94 -0.01 0.00 -0.44 0.00 0.00 34.13 31.64 2k13 s GLU 76 CO 0.00 0.02 -0.04 0.54 0.95 0.00 0.00 175.26 176.73 2k13 s ASN 77 N 0.75 0.50 0.00 0.83 2.20 -1.02 -3.27 114.94 114.93 2k13 s ASN 77 Ca -0.11 -0.12 0.01 0.00 -0.94 0.00 0.00 52.86 51.69 2k13 s ASN 77 Cb -0.16 -0.04 -0.00 0.00 -2.00 0.00 0.00 41.25 39.05 2k13 s ASN 77 CO 0.02 0.02 -0.03 -0.72 -2.94 0.00 0.00 177.10 173.45 2k13 s TYR 78 N -0.24 0.24 -0.31 1.54 1.13 -0.91 -2.02 117.35 116.78 2k13 s TYR 78 Ca 0.00 -0.09 -0.25 0.00 -1.41 0.00 0.00 57.07 55.33 2k13 s TYR 78 Cb -0.02 -0.15 0.00 0.00 -1.10 0.00 0.00 41.96 40.69 2k13 s TYR 78 CO -0.00 -0.02 0.86 -1.17 -2.51 0.00 0.00 175.55 172.71 2k13 s LEU 79 N -0.20 4.06 -0.27 -3.49 2.96 0.13 -0.80 118.68 121.05 2k13 s LEU 79 Ca -0.01 0.75 0.01 0.00 -0.22 0.00 0.00 54.13 54.66 2k13 s LEU 79 Cb -0.02 -3.19 0.08 0.00 0.50 0.00 0.00 46.19 43.56 2k13 s LEU 79 CO -0.00 -0.68 0.01 -0.89 -1.32 0.00 0.00 176.35 173.46 2k13 s THR 80 N 3.13 1.53 -0.74 3.68 2.01 -1.26 -4.85 115.64 119.14 2k13 s THR 80 Ca 0.35 -1.50 -0.09 0.00 0.31 0.00 0.00 61.69 60.76 2k13 s THR 80 Cb -0.14 -1.95 0.09 0.00 0.01 0.00 0.00 72.50 70.51 2k13 s THR 80 CO 0.13 -0.35 0.24 -0.67 -0.69 0.00 0.00 174.62 173.28 2k13 n ASP 81 N 4.62 -1.11 0.05 3.53 2.03 -1.26 -4.76 116.55 119.65 2k13 n ASP 81 Ca -0.06 -0.29 -0.20 0.00 0.52 0.00 0.00 54.79 54.76 2k13 n ASP 81 Cb 0.43 -1.02 -0.14 0.00 -0.72 0.00 0.00 41.12 39.67 2k13 n ASP 81 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k13 n GLU 83 N -3.49 0.39 0.00 0.00 0.28 -1.26 -5.12 120.64 111.44 2k13 n GLU 83 Ca -0.24 -1.04 0.00 0.00 -0.16 0.00 0.00 57.16 55.73 2k13 n GLU 83 Cb 1.06 1.49 0.00 0.00 1.43 0.00 0.00 31.44 35.42 2k13 n GLU 83 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k13 n GLY 84 N -0.71 1.11 2.38 -1.84 0.00 -1.26 -4.90 105.19 99.97 2k13 n GLY 84 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2k13 n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k13 n LYS 85 N 0.00 0.46 -0.03 1.61 4.01 -1.26 -4.69 118.16 118.26 2k13 n LYS 85 Ca 0.00 -3.30 -0.03 0.00 -0.51 0.00 0.00 58.31 54.47 2k13 n LYS 85 Cb 0.00 -1.62 -0.01 0.00 -0.51 0.00 0.00 35.03 32.89 2k13 n LYS 85 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2k13 n ASP 86 N 2.42 0.94 0.00 4.39 9.92 -1.26 -4.96 116.55 128.00 2k13 n ASP 86 Ca 0.27 0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.68 2k13 n ASP 86 Cb 0.48 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 40.47 2k13 n ASP 86 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k13 n ALA 87 N -3.43 1.54 -0.75 2.24 0.00 -1.26 -5.10 120.51 113.75 2k13 n ALA 87 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2k13 n ALA 87 Cb 0.20 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.76 2k13 n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k13 n GLY 88 N 1.58 2.72 3.83 0.00 0.00 -1.23 -4.41 105.19 107.67 2k13 n GLY 88 Ca 0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 46.02 45.67 2k13 n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k13 s ASN 89 N -4.00 -0.14 -0.11 1.61 4.22 -1.21 -4.73 114.94 110.58 2k13 s ASN 89 Ca 0.00 -0.74 -0.09 0.00 -2.14 0.00 0.00 52.86 49.89 2k13 s ASN 89 Cb 0.00 0.70 -0.04 0.00 1.28 0.00 0.00 41.25 43.19 2k13 s ASN 89 CO 0.00 -1.34 0.19 0.00 -2.04 0.00 0.00 177.10 173.91 2k13 s ALA 90 N -3.15 3.82 -0.24 3.54 0.00 -1.26 -4.20 121.76 120.27 2k13 s ALA 90 Ca 0.14 -0.57 -0.04 0.00 0.00 0.00 0.00 51.96 51.48 2k13 s ALA 90 Cb -0.05 -2.07 0.01 0.00 0.00 0.00 0.00 23.12 21.01 2k13 s ALA 90 CO 0.07 0.54 0.16 0.00 0.00 0.00 0.00 175.76 176.53 2k13 n ALA 91 N 2.15 -3.21 -0.05 0.00 0.00 -1.26 -5.02 120.51 113.12 2k13 n ALA 91 Ca -0.18 0.52 -0.06 0.00 0.00 0.00 0.00 53.44 53.72 2k13 n ALA 91 Cb 0.54 -1.42 -0.07 0.00 0.00 0.00 0.00 19.45 18.50 2k13 n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k13 n GLY 92 N 0.15 -0.40 3.59 0.00 0.00 -1.26 -4.69 105.19 102.59 2k13 n GLY 92 Ca 0.03 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 2k13 n GLY 92 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2k13 s THR 93 N -2.23 3.70 0.00 2.61 -1.32 -1.26 -4.05 115.64 113.08 2k13 s THR 93 Ca -0.08 -0.63 0.00 0.00 -1.21 0.00 0.00 61.69 59.78 2k13 s THR 93 Cb 0.03 -2.56 0.00 0.00 -1.51 0.00 0.00 72.50 68.46 2k13 s THR 93 CO 0.36 0.49 0.00 0.61 -2.21 0.00 0.00 174.62 173.88 2k13 n GLY 94 N 1.87 0.96 3.58 6.08 0.00 -1.26 -4.82 105.19 111.59 2k13 n GLY 94 Ca -0.17 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 2k13 n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k13 s ASP 95 N 0.00 6.04 -0.39 1.61 -1.08 -1.26 -4.92 116.67 116.67 2k13 s ASP 95 Ca 0.00 0.39 -0.27 0.00 -0.52 0.00 0.00 52.55 52.15 2k13 s ASP 95 Cb 0.00 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.87 2k13 s ASP 95 CO 0.00 -1.76 2.11 -1.61 0.52 0.00 0.00 175.17 174.43 2k13 s GLU 96 N 5.64 2.80 0.01 4.34 2.02 -1.26 -4.62 118.70 127.63 2k13 s GLU 96 Ca 0.56 1.48 0.02 0.00 0.02 0.00 0.00 54.97 57.06 2k13 s GLU 96 Cb -0.12 -4.39 -0.01 0.00 0.10 0.00 0.00 34.13 29.71 2k13 s GLU 96 CO 0.25 -2.48 -0.08 -1.12 0.02 0.00 0.00 175.26 171.85 2k13 s SER 97 N 8.85 0.93 0.42 -0.19 0.01 -1.26 -5.14 113.70 117.31 2k13 s SER 97 Ca 0.89 -0.22 -0.04 0.00 1.31 0.00 0.00 55.95 57.89 2k13 s SER 97 Cb -0.23 -0.08 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 2k13 s SER 97 CO 0.30 0.05 0.70 -1.81 0.41 0.00 0.00 173.24 172.88 2k13 s ASP 98 N -0.45 6.32 -0.22 2.44 1.01 -1.26 -4.81 116.67 119.69 2k13 s ASP 98 Ca 0.01 0.81 -0.12 0.00 0.71 0.00 0.00 52.55 53.96 2k13 s ASP 98 Cb -0.04 -2.19 -0.09 0.00 1.01 0.00 0.00 42.92 41.60 2k13 s ASP 98 CO -0.00 -0.44 -0.30 -1.84 0.21 0.00 0.00 175.17 172.79 2k13 n GLU 99 N -1.88 0.49 -3.43 8.23 0.28 -1.26 -4.86 120.64 118.21 2k13 n GLU 99 Ca -0.01 0.21 -0.26 0.00 -0.16 0.00 0.00 57.16 56.94 2k13 n GLU 99 Cb 0.55 -1.33 -0.09 0.00 1.43 0.00 0.00 31.44 32.00 2k13 n GLU 99 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 2k13 n VAL 100 N -4.09 0.70 0.00 3.84 0.24 -1.26 -5.02 118.33 112.74 2k13 n VAL 100 Ca -0.42 -4.49 0.00 0.00 -2.04 0.00 0.00 64.34 57.39 2k13 n VAL 100 Cb 0.78 -2.00 0.00 0.00 -1.47 0.00 0.00 33.84 31.15 2k13 n VAL 100 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2k13 n ASP 101 N 1.53 0.00 0.21 -1.34 2.03 -1.26 -3.37 116.55 114.35 2k13 n ASP 101 Ca 0.25 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.45 2k13 n ASP 101 Cb 0.45 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.78 2k13 n ASP 101 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2k13 h GLU 102 N 0.00 -0.57 0.00 -0.67 4.57 -2.00 -3.50 114.58 112.41 2k13 h GLU 102 Ca 0.00 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2k13 h GLU 102 Cb 0.00 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 2k13 h GLU 102 CO 0.00 -0.28 0.00 -3.47 -1.18 0.00 0.00 179.01 174.08