#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 5.33 -3.79 3.49 2.13 -1.26 -4.83 120.64 121.71 2k13 n GLU 2 Ca 0.00 -4.48 -0.10 0.00 0.66 0.00 0.00 57.16 53.23 2k13 n GLU 2 Cb 0.00 -2.49 -0.07 0.00 0.27 0.00 0.00 31.44 29.14 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 -3.86 0.82 0.34 5.31 0.52 -1.26 -5.09 118.95 115.73 2k13 s ARG 3 Ca 0.41 -0.69 0.08 0.00 -0.52 0.00 0.00 55.73 55.02 2k13 s ARG 3 Cb 0.19 0.35 -0.07 0.00 0.52 0.00 0.00 34.95 35.94 2k13 s ARG 3 CO -0.13 -0.27 -0.07 -1.21 0.02 0.00 0.00 175.30 173.65 2k13 s GLU 4 N -3.08 1.77 0.33 3.54 8.01 -1.26 -4.99 118.70 123.03 2k13 s GLU 4 Ca -0.01 -1.93 -0.26 0.00 0.01 0.00 0.00 54.97 52.78 2k13 s GLU 4 Cb 0.01 -1.55 -0.10 0.00 -4.31 0.00 0.00 34.13 28.18 2k13 s GLU 4 CO -0.07 0.08 0.96 -0.51 0.01 0.00 0.00 175.26 175.74 2k13 s ASP 5 N -3.58 7.28 -0.14 -0.19 1.11 -1.26 -3.54 116.67 116.34 2k13 s ASP 5 Ca 0.32 1.87 -0.25 0.00 0.18 0.00 0.00 52.55 54.67 2k13 s ASP 5 Cb 0.04 -2.58 -0.02 0.00 1.07 0.00 0.00 42.92 41.43 2k13 s ASP 5 CO 0.16 -0.11 0.82 0.00 1.18 0.00 0.00 175.17 177.21 2k13 s TRP 7 N 1.85 3.30 -0.23 0.00 0.51 -1.26 -4.30 118.94 118.80 2k13 s TRP 7 Ca 0.39 0.25 -0.08 0.00 -2.12 0.00 0.00 56.10 54.54 2k13 s TRP 7 Cb -0.17 -1.78 -0.04 0.00 -0.81 0.00 0.00 33.47 30.67 2k13 s TRP 7 CO 0.14 0.56 0.10 0.99 -0.51 0.00 0.00 176.95 178.23 2k13 s THR 8 N -1.08 4.78 -0.14 2.01 2.01 0.13 -4.81 115.64 118.54 2k13 s THR 8 Ca 0.19 -0.02 -0.21 0.00 0.31 0.00 0.00 61.69 61.95 2k13 s THR 8 Cb -0.12 -3.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 2k13 s THR 8 CO 0.09 0.37 0.63 0.12 -0.69 0.00 0.00 174.62 175.13 2k13 s PHE 9 N 1.14 3.47 -0.20 4.92 5.36 -1.26 -1.66 117.98 129.75 2k13 s PHE 9 Ca 0.05 1.03 -0.16 0.00 -0.96 0.00 0.00 56.93 56.90 2k13 s PHE 9 Cb -0.14 -2.75 -0.08 0.00 -0.34 0.00 0.00 43.02 39.71 2k13 s PHE 9 CO 0.04 -0.02 -0.31 0.98 -1.46 0.00 0.00 175.22 174.46 2k13 n TYR 10 N 4.34 0.15 -3.61 10.12 9.36 -1.24 -5.05 117.16 131.24 2k13 n TYR 10 Ca -0.02 0.07 -0.01 0.00 3.32 0.00 0.00 57.90 61.26 2k13 n TYR 10 Cb 0.51 -0.68 -0.01 0.00 -0.63 0.00 0.00 39.34 38.52 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 -2.77 -2.26 -0.31 2.98 0.00 -1.26 -5.08 121.76 113.07 2k13 s ALA 11 Ca -0.30 1.48 -0.27 0.00 0.00 0.00 0.00 51.96 52.86 2k13 s ALA 11 Cb 0.07 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.10 2k13 s ALA 11 CO 0.43 -0.74 0.99 -0.80 0.00 0.00 0.00 175.76 175.63 2k13 s ASN 12 N -2.40 6.86 0.13 0.00 -0.87 -1.26 -3.00 114.94 114.40 2k13 s ASN 12 Ca 0.12 0.95 -0.18 0.00 -1.57 0.00 0.00 52.86 52.18 2k13 s ASN 12 Cb 0.02 -2.50 0.05 0.00 -0.02 0.00 0.00 41.25 38.79 2k13 s ASN 12 CO -0.04 -0.79 0.46 -0.60 -2.57 0.00 0.00 177.10 173.56 2k13 s ARG 13 N 3.42 1.13 -0.28 -0.60 3.52 -1.21 -4.33 118.95 120.60 2k13 s ARG 13 Ca 0.41 -0.62 -0.22 0.00 -0.13 0.00 0.00 55.73 55.17 2k13 s ARG 13 Cb -0.13 0.51 0.08 0.00 -1.56 0.00 0.00 34.95 33.85 2k13 s ARG 13 CO 0.14 -0.46 0.77 0.21 -0.81 0.00 0.00 175.30 175.15 2k13 s LYS 14 N -3.74 0.74 -0.60 5.12 2.47 0.27 -4.15 119.74 119.84 2k13 s LYS 14 Ca 0.02 0.98 -0.23 0.00 -1.56 0.00 0.00 55.97 55.19 2k13 s LYS 14 Cb 0.01 0.30 0.06 0.00 -1.46 0.00 0.00 37.83 36.74 2k13 s LYS 14 CO -0.12 -0.11 0.91 -0.47 0.16 0.00 0.00 175.35 175.72 2k13 s TYR 15 N 0.72 2.77 -0.00 4.03 5.04 -1.26 -2.35 117.35 126.29 2k13 s TYR 15 Ca -0.02 -0.38 -0.22 0.00 -2.44 0.00 0.00 57.07 54.01 2k13 s TYR 15 Cb -0.05 -4.12 -0.27 0.00 0.35 0.00 0.00 41.96 37.87 2k13 s TYR 15 CO -0.06 -1.47 1.27 0.25 -1.34 0.00 0.00 175.55 174.20 2k13 n THR 16 N 5.97 0.00 -3.70 4.34 -2.24 -1.26 -4.71 114.28 112.68 2k13 n THR 16 Ca -0.02 -0.15 -0.11 0.00 -2.27 0.00 0.00 64.05 61.50 2k13 n THR 16 Cb 0.46 -1.40 -0.11 0.00 -2.10 0.00 0.00 70.33 67.17 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 5.81 -0.39 -0.13 3.42 -1.08 -1.26 -5.03 116.67 118.01 2k13 s ASP 17 Ca 0.48 0.78 0.18 0.00 -0.52 0.00 0.00 52.55 53.48 2k13 s ASP 17 Cb 0.10 0.70 0.29 0.00 -1.46 0.00 0.00 42.92 42.56 2k13 s ASP 17 CO 0.25 -0.19 1.15 0.49 0.52 0.00 0.00 175.17 177.38 2k13 n PHE 18 N 4.38 0.00 0.24 -5.34 3.01 -1.26 -4.63 117.46 113.86 2k13 n PHE 18 Ca -0.22 -1.00 0.13 0.00 1.01 0.00 0.00 57.45 57.37 2k13 n PHE 18 Cb 0.54 -0.15 0.44 0.00 -0.01 0.00 0.00 39.48 40.30 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 0.08 0.00 0.00 4.37 3.58 -1.97 -3.21 116.42 119.27 2k13 h ASP 19 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k13 h ASP 19 Cb 1.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.07 2k13 h ASP 19 CO 0.00 0.08 0.01 0.29 -2.88 0.00 0.00 179.24 176.74 2k13 n LYS 20 N -3.16 0.08 -1.25 0.28 4.76 -1.26 -4.85 118.16 112.75 2k13 n LYS 20 Ca 0.02 0.57 0.00 0.00 -2.87 0.00 0.00 58.31 56.03 2k13 n LYS 20 Cb 0.43 -1.77 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 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 -1.91 -1.67 -4.18 4.39 7.64 -1.21 -4.52 113.62 112.16 2k13 n SER 21 Ca -0.01 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.66 2k13 n SER 21 Cb 0.03 -0.83 -0.13 0.00 -1.01 0.00 0.00 64.21 62.27 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 0.00 1.37 0.10 1.43 0.08 -1.26 -2.62 117.98 117.08 2k13 s PHE 22 Ca 0.00 -0.39 0.10 0.00 0.12 0.00 0.00 56.93 56.76 2k13 s PHE 22 Cb 0.00 -0.80 -0.04 0.00 -0.57 0.00 0.00 43.02 41.62 2k13 s PHE 22 CO 0.00 0.07 -0.25 0.15 -0.10 0.00 0.00 175.22 175.09 2k13 s LYS 23 N -1.36 1.62 -0.13 0.44 -0.14 -0.99 -4.88 119.74 114.31 2k13 s LYS 23 Ca 0.02 -1.23 0.02 0.00 -1.36 0.00 0.00 55.97 53.42 2k13 s LYS 23 Cb -0.09 -1.98 0.01 0.00 -1.68 0.00 0.00 37.83 34.10 2k13 s LYS 23 CO 0.02 0.48 -0.18 0.21 -0.76 0.00 0.00 175.35 175.12 2k13 s LYS 24 N -1.80 2.55 -0.17 1.68 2.20 -1.25 -1.30 119.74 121.64 2k13 s LYS 24 Ca 0.14 -0.68 -0.11 0.00 -0.36 0.00 0.00 55.97 54.97 2k13 s LYS 24 Cb -0.10 -2.13 0.06 0.00 -1.51 0.00 0.00 37.83 34.14 2k13 s LYS 24 CO 0.06 -0.07 0.43 0.45 -0.36 0.00 0.00 175.35 175.86 2k13 s SER 25 N 0.98 -0.53 -0.69 1.43 0.15 -1.10 -5.00 113.70 108.94 2k13 s SER 25 Ca -0.05 0.92 -0.20 0.00 0.70 0.00 0.00 55.95 57.32 2k13 s SER 25 Cb -0.15 0.83 0.10 0.00 -1.71 0.00 0.00 66.02 65.09 2k13 s SER 25 CO -0.03 -0.19 0.88 -0.44 1.20 0.00 0.00 173.24 174.66 2k13 s SER 26 N 1.18 6.29 -0.12 5.45 0.01 -1.26 -4.29 113.70 120.95 2k13 s SER 26 Ca -0.08 -1.45 -0.01 0.00 1.31 0.00 0.00 55.95 55.72 2k13 s SER 26 Cb -0.07 -2.36 0.04 0.00 0.21 0.00 0.00 66.02 63.84 2k13 s SER 26 CO -0.10 -1.20 -0.02 -1.81 0.41 0.00 0.00 173.24 170.52 2k13 s ASP 27 N 3.58 2.17 0.01 2.44 1.01 -1.26 -4.99 116.67 119.63 2k13 s ASP 27 Ca 0.20 -0.36 -0.24 0.00 0.71 0.00 0.00 52.55 52.85 2k13 s ASP 27 Cb -0.17 -0.64 -0.18 0.00 1.01 0.00 0.00 42.92 42.94 2k13 s ASP 27 CO 0.04 -0.20 1.33 0.25 0.21 0.00 0.00 175.17 176.80 2k13 h LEU 28 N 8.24 0.15 0.11 1.23 5.85 -1.97 0.36 115.31 129.27 2k13 h LEU 28 Ca -0.22 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.04 2k13 h LEU 28 Cb 1.12 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2k13 h LEU 28 CO 0.33 0.57 -0.05 0.44 -0.34 0.00 0.00 178.44 179.39 2k13 h ASP 29 N -0.28 -0.12 -0.83 1.25 3.32 -1.97 -3.29 116.42 114.51 2k13 h ASP 29 Ca 0.01 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 2k13 h ASP 29 Cb 0.52 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 2k13 h ASP 29 CO 0.01 0.10 0.39 -0.33 -1.72 0.00 0.00 179.24 177.69 2k13 h GLU 30 N -0.34 1.21 -0.57 3.56 3.07 -1.97 -2.03 114.58 117.51 2k13 h GLU 30 Ca -0.01 -0.19 0.05 0.00 -0.50 0.00 0.00 59.36 58.71 2k13 h GLU 30 Cb 0.28 -0.21 -0.05 0.00 -0.84 0.00 0.00 28.75 27.93 2k13 h GLU 30 CO 0.02 0.94 0.30 0.00 -1.40 0.00 0.00 179.01 178.87 2k13 h LYS 32 N 0.57 0.63 -0.68 0.00 6.56 -1.53 0.55 116.57 122.67 2k13 h LYS 32 Ca 0.25 -0.17 -0.01 0.00 -1.06 0.00 0.00 60.65 59.66 2k13 h LYS 32 Cb 0.14 -0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 31.70 2k13 h LYS 32 CO -0.16 0.69 0.40 1.57 -2.06 0.00 0.00 179.45 179.89 2k13 h LYS 33 N 0.47 0.93 -0.74 3.15 2.10 -0.87 0.21 116.57 121.82 2k13 h LYS 33 Ca 0.11 -0.09 -0.01 0.00 -2.00 0.00 0.00 60.65 58.66 2k13 h LYS 33 Cb 0.37 -0.19 -0.04 0.00 -0.90 0.00 0.00 32.23 31.47 2k13 h LYS 33 CO 0.01 0.67 0.43 1.15 -2.00 0.00 0.00 179.45 179.71 2k13 h THR 34 N 0.93 1.22 -0.14 0.07 2.02 0.48 0.10 112.91 117.59 2k13 h THR 34 Ca 0.24 -0.51 0.01 0.00 0.77 0.00 0.00 66.41 66.93 2k13 h THR 34 Cb -0.01 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 2k13 h THR 34 CO -0.04 0.23 0.05 0.00 0.37 0.00 0.00 175.52 176.13 2k13 h PHE 36 N 0.13 0.81 -0.77 0.00 0.04 0.16 -1.73 116.94 115.57 2k13 h PHE 36 Ca 0.06 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 2k13 h PHE 36 Cb 0.03 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 37.90 2k13 h PHE 36 CO -0.10 0.69 0.46 1.57 -0.60 0.00 0.00 178.31 180.32 2k13 h LYS 37 N 0.76 1.05 0.00 1.51 2.10 -0.89 -3.46 116.57 117.64 2k13 h LYS 37 Ca 0.17 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 2k13 h LYS 37 Cb 0.29 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 2k13 h LYS 37 CO -0.00 0.75 0.00 2.41 -2.00 0.00 0.00 179.45 180.61 2k13 n THR 38 N -4.48 0.00 -0.06 0.07 -1.04 -0.65 -4.98 114.28 103.15 2k13 n THR 38 Ca 0.07 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.03 2k13 n THR 38 Cb 0.06 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.53 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 -0.20 -2.82 3.07 -1.86 -3.41 114.58 109.35 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 -0.16 1.88 -1.40 0.00 0.00 179.01 179.67 2k13 h TYR 40 N -1.00 0.37 -0.20 4.33 0.05 -1.87 -3.48 116.97 115.17 2k13 h TYR 40 Ca -0.00 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.72 2k13 h TYR 40 Cb 0.35 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 37.99 2k13 h TYR 40 CO 0.09 0.50 0.00 0.00 -1.05 0.00 0.00 178.16 177.70 2k13 n TYR 42 N 0.10 0.00 -5.03 0.00 0.18 -1.26 -4.97 117.16 106.18 2k13 n TYR 42 Ca 0.00 0.00 -0.28 0.00 1.88 0.00 0.00 57.90 59.50 2k13 n TYR 42 Cb 0.00 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 38.80 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 -0.05 1.67 -0.00 -3.48 -1.09 -1.26 -1.27 121.20 115.72 2k13 s ILE 43 Ca 0.00 -0.88 0.01 0.00 -2.23 0.00 0.00 60.65 57.55 2k13 s ILE 43 Cb 0.00 -1.40 -0.00 0.00 -1.58 0.00 0.00 42.46 39.48 2k13 s ILE 43 CO 0.00 0.47 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.45 2k13 s VAL 44 N -0.32 0.32 -0.10 2.92 1.01 -0.76 -0.39 120.40 123.07 2k13 s VAL 44 Ca 0.04 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.89 2k13 s VAL 44 Cb -0.10 -0.28 -0.00 0.00 0.00 0.00 0.00 36.38 36.00 2k13 s VAL 44 CO 0.01 0.09 -0.22 -0.36 0.00 0.00 0.00 175.10 174.62 2k13 s PHE 45 N -0.04 2.60 0.11 5.22 0.40 0.88 -2.54 117.98 124.61 2k13 s PHE 45 Ca 0.01 -0.99 0.06 0.00 -0.60 0.00 0.00 56.93 55.41 2k13 s PHE 45 Cb -0.02 -1.73 -0.04 0.00 0.51 0.00 0.00 43.02 41.74 2k13 s PHE 45 CO -0.00 -0.39 -0.15 -1.21 0.70 0.00 0.00 175.22 174.17 2k13 s GLU 46 N 0.35 1.00 -0.20 0.44 2.02 -1.01 -0.37 118.70 120.93 2k13 s GLU 46 Ca -0.18 -1.18 -0.15 0.00 0.02 0.00 0.00 54.97 53.48 2k13 s GLU 46 Cb -0.18 -0.96 -0.04 0.00 0.10 0.00 0.00 34.13 33.06 2k13 s GLU 46 CO 0.08 0.19 0.36 0.34 0.02 0.00 0.00 175.26 176.26 2k13 s ASP 47 N -2.27 6.41 0.20 -0.19 -1.08 0.62 0.63 116.67 120.99 2k13 s ASP 47 Ca 0.07 0.48 0.21 0.00 -0.52 0.00 0.00 52.55 52.78 2k13 s ASP 47 Cb -0.06 -2.21 0.01 0.00 -1.46 0.00 0.00 42.92 39.19 2k13 s ASP 47 CO 0.03 -0.04 1.08 0.00 0.52 0.00 0.00 175.17 176.76 2k13 h THR 48 N 4.99 0.16 0.08 1.71 1.03 -0.82 -0.54 112.91 119.52 2k13 h THR 48 Ca -0.37 -1.29 -0.14 0.00 -0.01 0.00 0.00 66.41 64.60 2k13 h THR 48 Cb 1.16 1.73 0.01 0.00 -1.07 0.00 0.00 68.15 69.98 2k13 h THR 48 CO 0.71 0.09 -0.67 0.58 -0.01 0.00 0.00 175.52 176.23 2k13 h VAL 49 N 0.00 1.49 0.00 0.00 2.07 -1.91 -3.37 116.25 114.53 2k13 h VAL 49 Ca -0.04 -2.42 -0.10 0.00 0.82 0.00 0.00 66.70 64.96 2k13 h VAL 49 Cb 1.16 3.11 -0.02 0.00 -1.52 0.00 0.00 31.29 34.02 2k13 h VAL 49 CO 0.01 0.64 -1.35 0.59 0.02 0.00 0.00 177.57 177.49 2k13 n ASN 50 N -4.29 0.75 -2.97 0.57 3.02 -1.26 -4.99 115.26 106.10 2k13 n ASN 50 Ca -0.16 0.31 -0.04 0.00 -0.03 0.00 0.00 54.58 54.67 2k13 n ASN 50 Cb 0.71 0.46 0.02 0.00 -0.61 0.00 0.00 39.78 40.35 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 -2.75 -1.42 -4.73 3.52 4.01 -0.25 -5.05 118.16 111.49 2k13 n LYS 51 Ca -0.07 1.25 -0.28 0.00 -0.51 0.00 0.00 58.31 58.70 2k13 n LYS 51 Cb 0.72 -5.40 -0.14 0.00 -0.51 0.00 0.00 35.03 29.70 2k13 n LYS 51 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2k13 s GLU 52 N -3.33 1.58 -0.19 1.97 2.02 -0.97 -4.90 118.70 114.87 2k13 s GLU 52 Ca 0.11 -1.08 -0.02 0.00 0.02 0.00 0.00 54.97 54.00 2k13 s GLU 52 Cb -0.01 -1.77 -0.01 0.00 0.10 0.00 0.00 34.13 32.44 2k13 s GLU 52 CO 0.68 0.45 -0.09 0.00 0.02 0.00 0.00 175.26 176.33 2k13 s TYR 54 N 1.20 2.56 -0.14 0.00 1.51 0.50 -2.71 117.35 120.28 2k13 s TYR 54 Ca 0.02 -1.16 -0.02 0.00 -1.01 0.00 0.00 57.07 54.90 2k13 s TYR 54 Cb -0.14 -1.73 -0.02 0.00 -0.11 0.00 0.00 41.96 39.95 2k13 s TYR 54 CO -0.03 -0.50 -0.09 1.52 -1.11 0.00 0.00 175.55 175.34 2k13 s TYR 55 N 0.57 2.91 -0.20 2.71 1.13 -0.42 -0.08 117.35 123.97 2k13 s TYR 55 Ca -0.13 -0.46 -0.29 0.00 -1.41 0.00 0.00 57.07 54.77 2k13 s TYR 55 Cb -0.17 -1.89 0.00 0.00 -1.10 0.00 0.00 41.96 38.81 2k13 s TYR 55 CO 0.04 -0.11 1.04 1.21 -2.51 0.00 0.00 175.55 175.22 2k13 s ASN 56 N 0.30 7.13 0.00 -0.18 2.47 0.48 -2.34 114.94 122.80 2k13 s ASN 56 Ca -0.07 1.43 0.17 0.00 0.42 0.00 0.00 52.86 54.81 2k13 s ASN 56 Cb -0.15 -2.54 0.05 0.00 -1.45 0.00 0.00 41.25 37.16 2k13 s ASN 56 CO 0.04 -0.62 0.95 1.33 -3.72 0.00 0.00 177.10 175.08 2k13 n VAL 57 N 5.13 0.00 -4.12 -5.21 0.24 -1.08 -4.25 118.33 109.05 2k13 n VAL 57 Ca 0.11 -0.40 -0.09 0.00 -2.04 0.00 0.00 64.34 61.92 2k13 n VAL 57 Cb 0.47 1.26 -0.02 0.00 -1.47 0.00 0.00 33.84 34.08 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 0.33 0.00 -1.76 3.34 0.31 -1.26 -4.65 118.33 114.65 2k13 n VAL 58 Ca 0.08 -0.70 -0.42 0.00 -0.01 0.00 0.00 64.34 63.29 2k13 n VAL 58 Cb 0.39 0.05 -0.03 0.00 -0.91 0.00 0.00 33.84 33.34 2k13 n VAL 58 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2k13 s ASP 59 N -1.85 6.36 0.00 4.52 1.01 -1.26 -4.79 116.67 120.66 2k13 s ASP 59 Ca 0.02 2.43 0.00 0.00 0.71 0.00 0.00 52.55 55.70 2k13 s ASP 59 Cb -0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 2k13 s ASP 59 CO 0.01 -1.16 0.45 0.61 0.21 0.00 0.00 175.17 175.30 2k13 n GLY 60 N 4.62 -0.14 0.27 0.21 0.00 -1.26 -4.48 105.19 104.42 2k13 n GLY 60 Ca 0.21 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.39 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 0.00 1.61 4.11 -1.98 0.42 114.58 118.74 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 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2k13 h GLU 61 CO 0.00 0.04 0.00 -1.91 0.07 0.00 0.00 179.01 177.21 2k13 n GLU 62 N -3.16 0.15 -2.55 1.06 4.07 -1.26 -4.54 120.64 114.41 2k13 n GLU 62 Ca 0.00 0.26 -0.42 0.00 -0.06 0.00 0.00 57.16 56.95 2k13 n GLU 62 Cb 0.30 -1.73 -0.03 0.00 -0.06 0.00 0.00 31.44 29.93 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 -4.01 3.37 -0.25 4.31 1.43 0.14 -4.95 118.68 118.71 2k13 s LEU 63 Ca 0.08 -0.01 -0.21 0.00 -1.03 0.00 0.00 54.13 52.96 2k13 s LEU 63 Cb 0.12 -2.99 -0.02 0.00 0.03 0.00 0.00 46.19 43.33 2k13 s LEU 63 CO 0.45 -1.61 0.66 -0.62 0.23 0.00 0.00 176.35 175.46 2k13 s ASP 64 N 3.37 6.61 0.35 2.29 -1.08 -1.26 -4.94 116.67 122.01 2k13 s ASP 64 Ca 0.42 0.75 0.11 0.00 -0.52 0.00 0.00 52.55 53.31 2k13 s ASP 64 Cb -0.08 -2.35 0.65 0.00 -1.46 0.00 0.00 42.92 39.68 2k13 s ASP 64 CO 0.23 -0.40 1.80 -0.61 0.52 0.00 0.00 175.17 176.71 2k13 h GLN 65 N 7.87 0.07 -0.00 4.34 5.75 -1.94 -2.85 115.11 128.35 2k13 h GLN 65 Ca -0.26 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.21 2k13 h GLN 65 Cb 1.12 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.66 2k13 h GLN 65 CO 0.79 0.44 -0.43 0.39 -2.65 0.00 0.00 178.83 177.37 2k13 n GLU 66 N -4.08 0.09 -0.23 1.69 4.71 -1.26 -2.88 120.64 118.67 2k13 n GLU 66 Ca -0.02 -0.05 0.11 0.00 -0.01 0.00 0.00 57.16 57.20 2k13 n GLU 66 Cb 0.42 -1.50 0.23 0.00 -1.01 0.00 0.00 31.44 29.58 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 -1.42 2.51 -2.80 3.49 4.01 -1.08 -4.91 118.16 117.96 2k13 n LYS 67 Ca 0.06 -2.32 -0.33 0.00 -0.51 0.00 0.00 58.31 55.21 2k13 n LYS 67 Cb 0.34 -1.49 -0.07 0.00 -0.51 0.00 0.00 35.03 33.30 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 -1.28 3.30 0.05 2.13 0.40 -1.14 -4.88 117.98 116.56 2k13 s PHE 68 Ca 0.39 1.61 0.07 0.00 -0.60 0.00 0.00 56.93 58.40 2k13 s PHE 68 Cb 0.22 -2.87 -0.03 0.00 0.51 0.00 0.00 43.02 40.85 2k13 s PHE 68 CO 0.30 -0.16 -0.18 0.08 0.70 0.00 0.00 175.22 175.97 2k13 s VAL 69 N -2.14 2.82 -0.28 -0.44 1.01 -0.99 -4.81 120.40 115.57 2k13 s VAL 69 Ca 0.62 -1.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 2k13 s VAL 69 Cb -0.10 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 2k13 s VAL 69 CO 0.14 0.30 1.42 0.54 0.00 0.00 0.00 175.10 177.50 2k13 s VAL 70 N -0.96 3.96 -0.19 2.92 0.11 -1.26 0.98 120.40 125.96 2k13 s VAL 70 Ca 0.15 1.08 -0.06 0.00 -2.93 0.00 0.00 61.98 60.22 2k13 s VAL 70 Cb -0.11 -3.99 -0.03 0.00 -1.53 0.00 0.00 36.38 30.72 2k13 s VAL 70 CO 0.06 -0.42 0.03 -0.62 -3.33 0.00 0.00 175.10 170.83 2k13 s ASP 71 N 3.39 5.26 0.06 3.54 -1.08 -1.26 -4.76 116.67 121.81 2k13 s ASP 71 Ca 0.62 -0.05 0.25 0.00 -0.52 0.00 0.00 52.55 52.84 2k13 s ASP 71 Cb -0.20 -1.90 0.42 0.00 -1.46 0.00 0.00 42.92 39.78 2k13 s ASP 71 CO 0.26 0.12 1.36 -1.84 0.52 0.00 0.00 175.17 175.58 2k13 n GLU 72 N 3.87 0.16 0.06 4.34 0.28 -1.26 -3.35 120.64 124.74 2k13 n GLU 72 Ca -0.17 0.04 0.05 0.00 -0.16 0.00 0.00 57.16 56.92 2k13 n GLU 72 Cb 0.52 -1.59 -0.05 0.00 1.43 0.00 0.00 31.44 31.75 2k13 n GLU 72 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2k13 n ASN 73 N -1.82 0.84 -4.88 -1.84 0.23 -1.26 -4.86 115.26 101.67 2k13 n ASN 73 Ca 0.04 0.35 -0.22 0.00 -0.53 0.00 0.00 54.58 54.22 2k13 n ASN 73 Cb 0.39 0.31 -0.04 0.00 -2.08 0.00 0.00 39.78 38.37 2k13 n ASN 73 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 2k13 s PHE 74 N -3.11 3.25 -0.04 -2.53 0.40 -1.25 -0.10 117.98 114.61 2k13 s PHE 74 Ca -0.02 -0.06 0.06 0.00 -0.60 0.00 0.00 56.93 56.30 2k13 s PHE 74 Cb 0.09 -1.48 -0.02 0.00 0.51 0.00 0.00 43.02 42.12 2k13 s PHE 74 CO 0.80 0.49 -0.21 0.95 0.70 0.00 0.00 175.22 177.96 2k13 s THR 75 N -2.04 2.46 -0.20 0.64 -4.23 0.20 -3.86 115.64 108.62 2k13 s THR 75 Ca 0.33 -0.95 -0.03 0.00 -1.18 0.00 0.00 61.69 59.86 2k13 s THR 75 Cb -0.08 -1.91 -0.01 0.00 1.34 0.00 0.00 72.50 71.84 2k13 s THR 75 CO 0.26 0.58 -0.06 -0.70 -0.54 0.00 0.00 174.62 174.17 2k13 s GLU 76 N -0.62 3.40 -0.05 3.99 -6.30 -1.16 -2.41 118.70 115.55 2k13 s GLU 76 Ca 0.10 -0.63 -0.02 0.00 -2.50 0.00 0.00 54.97 51.92 2k13 s GLU 76 Cb -0.11 -2.94 0.03 0.00 0.00 0.00 0.00 34.13 31.11 2k13 s GLU 76 CO -0.00 -0.10 0.06 0.54 0.02 0.00 0.00 175.26 175.78 2k13 s ASN 77 N 1.22 1.20 0.03 -1.70 4.22 -1.05 -3.68 114.94 115.17 2k13 s ASN 77 Ca 0.03 0.05 0.01 0.00 -2.14 0.00 0.00 52.86 50.81 2k13 s ASN 77 Cb -0.14 -0.16 -0.02 0.00 1.28 0.00 0.00 41.25 42.21 2k13 s ASN 77 CO -0.02 -0.25 -0.06 -0.72 -2.04 0.00 0.00 177.10 174.02 2k13 s TYR 78 N 2.16 0.48 -0.56 1.54 1.13 -0.67 -1.83 117.35 119.60 2k13 s TYR 78 Ca 0.05 -0.39 -0.28 0.00 -1.41 0.00 0.00 57.07 55.04 2k13 s TYR 78 Cb -0.12 -0.30 0.01 0.00 -1.10 0.00 0.00 41.96 40.45 2k13 s TYR 78 CO -0.03 -0.09 1.46 -1.17 -2.51 0.00 0.00 175.55 173.21 2k13 s LEU 79 N -1.16 3.39 -0.07 -3.49 2.96 -0.39 0.22 118.68 120.14 2k13 s LEU 79 Ca -0.08 0.31 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 2k13 s LEU 79 Cb -0.08 -3.01 0.01 0.00 0.50 0.00 0.00 46.19 43.62 2k13 s LEU 79 CO -0.00 -1.77 -0.12 0.28 -1.32 0.00 0.00 176.35 173.42 2k13 s THR 80 N 6.34 1.12 -1.86 3.68 -1.32 -1.26 -4.87 115.64 117.46 2k13 s THR 80 Ca 0.54 -0.46 0.00 0.00 -1.21 0.00 0.00 61.69 60.56 2k13 s THR 80 Cb -0.11 -1.03 0.00 0.00 -1.51 0.00 0.00 72.50 69.85 2k13 s THR 80 CO 0.25 0.35 0.00 0.47 -2.21 0.00 0.00 174.62 173.48 2k13 n ASP 81 N 3.91 -5.29 0.00 8.08 9.92 -1.26 -4.75 116.55 127.15 2k13 n ASP 81 Ca -0.22 0.31 0.00 0.00 -0.53 0.00 0.00 54.79 54.35 2k13 n ASP 81 Cb 0.52 -4.41 0.00 0.00 -0.64 0.00 0.00 41.12 36.59 2k13 n ASP 81 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k13 n GLU 83 N -0.08 0.00 0.00 0.00 0.28 -1.26 -4.75 120.64 114.83 2k13 n GLU 83 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2k13 n GLU 83 Cb 0.09 -1.91 0.00 0.00 1.43 0.00 0.00 31.44 31.05 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 0.00 1.25 3.55 -1.84 0.00 -1.26 -4.99 105.19 101.91 2k13 n GLY 84 Ca 0.00 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 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 3.24 0.00 1.61 2.20 -1.26 -1.54 119.74 124.00 2k13 s LYS 85 Ca 0.00 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 2k13 s LYS 85 Cb 0.00 -4.61 0.00 0.00 -1.51 0.00 0.00 37.83 31.71 2k13 s LYS 85 CO 0.00 -2.27 0.00 -3.47 -0.36 0.00 0.00 175.35 169.25 2k13 n ASP 86 N 9.70 -0.00 -4.79 1.43 2.03 -1.23 -5.01 116.55 118.67 2k13 n ASP 86 Ca 0.16 0.18 -0.34 0.00 0.52 0.00 0.00 54.79 55.31 2k13 n ASP 86 Cb 0.50 0.19 -0.02 0.00 -0.72 0.00 0.00 41.12 41.07 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 -2.00 2.80 0.07 -1.67 0.00 -1.24 -4.84 121.76 114.87 2k13 s ALA 87 Ca 0.00 0.62 -0.24 0.00 0.00 0.00 0.00 51.96 52.34 2k13 s ALA 87 Cb 0.00 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.78 2k13 s ALA 87 CO 0.00 -0.53 0.74 0.20 0.00 0.00 0.00 175.76 176.17 2k13 s GLY 88 N -2.08 2.80 -0.45 0.00 0.00 -1.26 -4.02 107.32 102.31 2k13 s GLY 88 Ca 0.68 0.26 0.06 0.00 0.00 0.00 0.00 44.72 45.72 2k13 s GLY 88 CO 0.25 0.96 0.71 0.21 0.00 0.00 0.00 173.10 175.22 2k13 s ASN 89 N -0.42 -1.40 -0.05 1.64 2.47 -1.26 -4.93 114.94 110.99 2k13 s ASN 89 Ca 0.36 -1.11 -0.00 0.00 0.42 0.00 0.00 52.86 52.53 2k13 s ASN 89 Cb -0.21 1.81 -0.00 0.00 -1.45 0.00 0.00 41.25 41.40 2k13 s ASN 89 CO 0.23 -0.11 -0.00 0.00 -3.72 0.00 0.00 177.10 173.50 2k13 h ALA 90 N 6.04 0.00 -1.75 1.71 0.00 -1.94 -3.42 119.26 119.91 2k13 h ALA 90 Ca 0.05 -0.02 -0.64 0.00 0.00 0.00 0.00 54.91 54.31 2k13 h ALA 90 Cb 1.15 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.81 2k13 h ALA 90 CO 0.05 0.01 0.47 0.00 0.00 0.00 0.00 179.25 179.78 2k13 s ALA 91 N -2.80 3.17 -1.07 0.00 0.00 -1.26 -4.79 121.76 115.02 2k13 s ALA 91 Ca -0.00 -1.74 0.24 0.00 0.00 0.00 0.00 51.96 50.46 2k13 s ALA 91 Cb 0.00 -3.76 0.36 0.00 0.00 0.00 0.00 23.12 19.72 2k13 s ALA 91 CO 0.00 -2.59 1.31 0.41 0.00 0.00 0.00 175.76 174.89 2k13 n GLY 92 N 5.27 -1.13 3.63 0.00 0.00 -1.26 -4.88 105.19 106.81 2k13 n GLY 92 Ca -0.03 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 2k13 n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k13 s THR 93 N -2.96 3.10 -1.08 2.61 2.01 -1.26 -4.77 115.64 113.29 2k13 s THR 93 Ca 0.11 0.11 -0.24 0.00 0.31 0.00 0.00 61.69 61.99 2k13 s THR 93 Cb 0.17 -3.10 -0.09 0.00 0.01 0.00 0.00 72.50 69.50 2k13 s THR 93 CO 0.72 -0.04 1.97 -0.83 -0.69 0.00 0.00 174.62 175.75 2k13 s GLY 94 N 6.03 0.05 0.02 4.40 0.00 -1.26 -4.92 107.32 111.64 2k13 s GLY 94 Ca 0.91 -1.86 -0.31 0.00 0.00 0.00 0.00 44.72 43.47 2k13 s GLY 94 CO 0.37 3.61 1.97 1.34 0.00 0.00 0.00 173.10 180.39 2k13 n ASP 95 N 14.76 4.08 -0.18 1.64 2.03 -1.26 -4.83 116.55 132.79 2k13 n ASP 95 Ca 0.43 0.91 0.04 0.00 0.52 0.00 0.00 54.79 56.69 2k13 n ASP 95 Cb 0.47 -1.51 0.06 0.00 -0.72 0.00 0.00 41.12 39.42 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 7.43 1.03 -2.69 -0.67 1.02 -1.26 -4.95 120.64 120.55 2k13 n GLU 96 Ca 0.20 -1.73 -0.42 0.00 -0.02 0.00 0.00 57.16 55.20 2k13 n GLU 96 Cb 0.39 -1.02 -0.02 0.00 -0.02 0.00 0.00 31.44 30.77 2k13 n GLU 96 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2k13 s SER 97 N -1.73 6.63 0.15 1.62 0.15 -1.26 -4.95 113.70 114.31 2k13 s SER 97 Ca 0.14 -1.88 -0.03 0.00 0.70 0.00 0.00 55.95 54.89 2k13 s SER 97 Cb 0.12 -2.51 -0.05 0.00 -1.71 0.00 0.00 66.02 61.87 2k13 s SER 97 CO 0.01 -1.28 0.36 -0.62 1.20 0.00 0.00 173.24 172.91 2k13 s ASP 98 N 4.33 6.44 -0.04 5.45 2.15 -1.26 -5.00 116.67 128.74 2k13 s ASP 98 Ca 0.43 0.48 0.14 0.00 0.43 0.00 0.00 52.55 54.04 2k13 s ASP 98 Cb -0.01 -2.05 0.44 0.00 -0.30 0.00 0.00 42.92 41.00 2k13 s ASP 98 CO -0.07 0.04 1.37 1.21 -0.17 0.00 0.00 175.17 177.55 2k13 n GLU 99 N -0.13 2.96 -2.25 4.34 4.07 -1.26 -5.01 120.64 123.37 2k13 n GLU 99 Ca -0.03 -2.36 -0.03 0.00 -0.06 0.00 0.00 57.16 54.68 2k13 n GLU 99 Cb 0.52 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 30.44 2k13 n GLU 99 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2k13 n VAL 100 N 0.62 -7.51 0.00 6.31 0.31 -1.26 -4.07 118.33 112.72 2k13 n VAL 100 Ca 0.17 0.73 0.00 0.00 -0.01 0.00 0.00 64.34 65.23 2k13 n VAL 100 Cb 0.58 -5.85 0.00 0.00 -0.91 0.00 0.00 33.84 27.66 2k13 n VAL 100 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2k13 n ASP 101 N -0.08 0.00 -0.04 4.52 2.03 -1.26 -4.61 116.55 117.10 2k13 n ASP 101 Ca 0.04 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.23 2k13 n ASP 101 Cb 0.17 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.49 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 0.21 0.00 -0.67 4.81 -2.00 -3.55 114.58 113.38 2k13 h GLU 102 Ca 0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2k13 h GLU 102 Cb 0.00 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2k13 h GLU 102 CO 0.00 0.58 0.00 -0.25 -0.73 0.00 0.00 179.01 178.61