#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 0.63 -1.10 3.49 1.02 -1.26 -5.11 120.64 118.32 2k13 n GLU 2 Ca 0.00 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2k13 n GLU 2 Cb 0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 2k13 n GLU 2 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2k13 n ARG 3 N -3.40 -2.45 -1.60 3.49 3.00 -1.26 -4.83 116.66 109.60 2k13 n ARG 3 Ca -0.47 1.95 -0.45 0.00 -0.01 0.00 0.00 57.85 58.88 2k13 n ARG 3 Cb 0.97 -1.88 -0.04 0.00 0.00 0.00 0.00 32.46 31.50 2k13 n ARG 3 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2k13 n GLU 4 N 0.61 2.07 -0.24 5.56 -0.00 -1.26 -4.77 120.64 122.62 2k13 n GLU 4 Ca 0.00 0.65 -0.11 0.00 -0.00 0.00 0.00 57.16 57.70 2k13 n GLU 4 Cb 0.00 -3.00 0.10 0.00 -0.00 0.00 0.00 31.44 28.54 2k13 n GLU 4 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2k13 n ASP 5 N 9.85 -2.15 -4.50 -1.84 -0.08 -1.26 -4.85 116.55 111.72 2k13 n ASP 5 Ca 0.28 -0.54 -0.43 0.00 -1.51 0.00 0.00 54.79 52.60 2k13 n ASP 5 Cb 0.39 -0.38 -0.07 0.00 2.34 0.00 0.00 41.12 43.40 2k13 n ASP 5 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k13 s TRP 7 N 2.65 3.32 -0.21 0.00 0.51 -1.26 -3.70 118.94 120.25 2k13 s TRP 7 Ca 0.19 0.24 -0.09 0.00 -2.12 0.00 0.00 56.10 54.32 2k13 s TRP 7 Cb -0.15 -1.95 -0.05 0.00 -0.81 0.00 0.00 33.47 30.51 2k13 s TRP 7 CO 0.17 0.42 0.12 0.99 -0.51 0.00 0.00 176.95 178.14 2k13 s THR 8 N -0.42 5.22 -0.14 2.01 2.01 0.45 -2.99 115.64 121.78 2k13 s THR 8 Ca 0.10 0.12 -0.21 0.00 0.31 0.00 0.00 61.69 62.01 2k13 s THR 8 Cb -0.12 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 2k13 s THR 8 CO 0.02 0.42 0.62 0.12 -0.69 0.00 0.00 174.62 175.11 2k13 s PHE 9 N 0.58 3.47 -0.15 4.92 5.36 -1.26 -2.06 117.98 128.84 2k13 s PHE 9 Ca 0.07 1.02 -0.11 0.00 -0.96 0.00 0.00 56.93 56.95 2k13 s PHE 9 Cb -0.12 -2.75 -0.04 0.00 -0.34 0.00 0.00 43.02 39.77 2k13 s PHE 9 CO 0.00 -0.02 -0.20 0.98 -1.46 0.00 0.00 175.22 174.52 2k13 n TYR 10 N 4.35 0.76 -3.62 10.12 9.36 -1.16 -5.00 117.16 131.97 2k13 n TYR 10 Ca -0.02 0.33 -0.01 0.00 3.32 0.00 0.00 57.90 61.52 2k13 n TYR 10 Cb 0.51 -0.73 -0.01 0.00 -0.63 0.00 0.00 39.34 38.47 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 -2.76 -2.28 -0.27 2.98 0.00 -1.26 -5.08 121.76 113.10 2k13 s ALA 11 Ca -0.18 1.62 -0.26 0.00 0.00 0.00 0.00 51.96 53.14 2k13 s ALA 11 Cb 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.95 2k13 s ALA 11 CO 0.27 -0.69 0.92 -0.80 0.00 0.00 0.00 175.76 175.46 2k13 s ASN 12 N -2.31 6.88 0.22 0.00 0.01 -1.26 -2.85 114.94 115.63 2k13 s ASN 12 Ca 0.13 1.04 -0.18 0.00 -0.71 0.00 0.00 52.86 53.13 2k13 s ASN 12 Cb 0.01 -2.48 0.03 0.00 0.41 0.00 0.00 41.25 39.22 2k13 s ASN 12 CO -0.04 -0.65 0.57 0.00 -1.51 0.00 0.00 177.10 175.47 2k13 s ARG 13 N 3.12 1.49 -0.27 -0.60 1.70 -1.22 -4.74 118.95 118.42 2k13 s ARG 13 Ca 0.39 -0.90 -0.23 0.00 -0.47 0.00 0.00 55.73 54.52 2k13 s ARG 13 Cb -0.14 0.54 0.08 0.00 -0.57 0.00 0.00 34.95 34.86 2k13 s ARG 13 CO 0.10 -0.65 0.74 0.21 -1.08 0.00 0.00 175.30 174.63 2k13 s LYS 14 N -3.89 0.77 0.00 3.89 2.47 0.33 -4.39 119.74 118.92 2k13 s LYS 14 Ca 0.10 1.01 0.05 0.00 -1.56 0.00 0.00 55.97 55.58 2k13 s LYS 14 Cb -0.02 0.33 0.30 0.00 -1.46 0.00 0.00 37.83 36.98 2k13 s LYS 14 CO -0.00 -0.11 1.00 0.98 0.16 0.00 0.00 175.35 177.38 2k13 n TYR 15 N 3.05 0.00 -3.35 4.03 9.36 -1.25 -3.50 117.16 125.50 2k13 n TYR 15 Ca -0.15 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 60.88 2k13 n TYR 15 Cb 0.56 0.00 0.07 0.00 -0.63 0.00 0.00 39.34 39.34 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 -0.60 -8.30 -3.65 2.97 -2.24 -1.26 -4.81 114.28 96.40 2k13 n THR 16 Ca 0.04 -1.21 -0.01 0.00 -2.27 0.00 0.00 64.05 60.60 2k13 n THR 16 Cb 0.02 -5.99 -0.06 0.00 -2.10 0.00 0.00 70.33 62.20 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 -3.50 -0.25 -0.09 3.42 -1.08 -1.26 -5.03 116.67 108.88 2k13 s ASP 17 Ca 0.42 0.42 0.13 0.00 -0.52 0.00 0.00 52.55 53.00 2k13 s ASP 17 Cb -0.07 0.98 0.25 0.00 -1.46 0.00 0.00 42.92 42.62 2k13 s ASP 17 CO 0.76 -0.07 1.12 0.49 0.52 0.00 0.00 175.17 178.00 2k13 n PHE 18 N 3.09 0.00 0.27 -5.34 3.72 -1.26 -4.78 117.46 113.16 2k13 n PHE 18 Ca -0.17 -0.72 0.13 0.00 -0.05 0.00 0.00 57.45 56.64 2k13 n PHE 18 Cb 0.57 -0.14 0.26 0.00 -0.94 0.00 0.00 39.48 39.23 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 0.34 0.00 0.00 4.37 1.82 -2.00 -3.32 116.42 117.64 2k13 h ASP 19 Ca -0.04 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 2k13 h ASP 19 Cb 1.26 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.27 2k13 h ASP 19 CO 0.02 0.00 0.01 0.29 -1.61 0.00 0.00 179.24 177.94 2k13 n LYS 20 N -3.00 0.00 -1.68 0.28 4.76 -1.26 -4.81 118.16 112.45 2k13 n LYS 20 Ca 0.04 0.08 -0.00 0.00 -2.87 0.00 0.00 58.31 55.56 2k13 n LYS 20 Cb 0.49 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 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 -1.06 -2.86 -4.28 4.39 7.64 -1.25 -4.59 113.62 111.61 2k13 n SER 21 Ca 0.00 0.18 -0.21 0.00 1.01 0.00 0.00 58.87 59.85 2k13 n SER 21 Cb 0.01 -1.62 -0.12 0.00 -1.01 0.00 0.00 64.21 61.47 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 -0.41 1.66 -0.04 1.43 0.08 -1.26 -2.58 117.98 116.86 2k13 s PHE 22 Ca 0.01 -0.48 0.04 0.00 0.12 0.00 0.00 56.93 56.62 2k13 s PHE 22 Cb -0.00 -0.86 -0.03 0.00 -0.57 0.00 0.00 43.02 41.56 2k13 s PHE 22 CO 0.11 0.23 -0.14 0.15 -0.10 0.00 0.00 175.22 175.47 2k13 s LYS 23 N -2.46 2.47 -0.15 0.44 -0.14 -0.73 -4.89 119.74 114.28 2k13 s LYS 23 Ca 0.10 -0.72 0.00 0.00 -1.36 0.00 0.00 55.97 54.00 2k13 s LYS 23 Cb -0.07 -2.38 0.03 0.00 -1.68 0.00 0.00 37.83 33.73 2k13 s LYS 23 CO 0.05 0.62 -0.11 0.21 -0.76 0.00 0.00 175.35 175.35 2k13 s LYS 24 N -0.86 2.01 -0.19 1.68 2.20 -1.26 -1.15 119.74 122.18 2k13 s LYS 24 Ca 0.12 -0.55 -0.12 0.00 -0.36 0.00 0.00 55.97 55.07 2k13 s LYS 24 Cb -0.11 -2.05 0.06 0.00 -1.51 0.00 0.00 37.83 34.22 2k13 s LYS 24 CO 0.02 -0.30 0.47 0.45 -0.36 0.00 0.00 175.35 175.63 2k13 s SER 25 N 1.53 -0.59 -0.71 1.43 0.15 -1.17 -5.01 113.70 109.34 2k13 s SER 25 Ca 0.03 1.01 -0.21 0.00 0.70 0.00 0.00 55.95 57.48 2k13 s SER 25 Cb -0.14 0.92 0.09 0.00 -1.71 0.00 0.00 66.02 65.18 2k13 s SER 25 CO -0.09 -0.20 0.97 -0.44 1.20 0.00 0.00 173.24 174.68 2k13 s SER 26 N 1.20 6.27 -0.21 5.45 0.01 -1.26 -4.28 113.70 120.87 2k13 s SER 26 Ca -0.08 -1.25 -0.02 0.00 1.31 0.00 0.00 55.95 55.91 2k13 s SER 26 Cb -0.07 -2.40 0.06 0.00 0.21 0.00 0.00 66.02 63.82 2k13 s SER 26 CO -0.11 -1.33 0.03 -1.81 0.41 0.00 0.00 173.24 170.42 2k13 s ASP 27 N 3.68 3.21 0.07 2.44 1.01 -1.26 -4.98 116.67 120.84 2k13 s ASP 27 Ca 0.23 -0.98 -0.21 0.00 0.71 0.00 0.00 52.55 52.31 2k13 s ASP 27 Cb -0.15 -0.73 -0.11 0.00 1.01 0.00 0.00 42.92 42.94 2k13 s ASP 27 CO 0.06 -0.30 1.55 0.25 0.21 0.00 0.00 175.17 176.93 2k13 h LEU 28 N 8.17 0.26 0.18 1.23 6.46 -1.98 0.25 115.31 129.88 2k13 h LEU 28 Ca -0.16 -0.25 -0.01 0.00 -0.12 0.00 0.00 57.88 57.34 2k13 h LEU 28 Cb 1.10 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.96 2k13 h LEU 28 CO 0.37 0.44 -0.08 0.44 -0.62 0.00 0.00 178.44 178.98 2k13 h ASP 29 N 0.06 -0.20 -0.53 1.25 5.19 -2.00 -3.17 116.42 117.01 2k13 h ASP 29 Ca 0.05 -0.13 -0.06 0.00 -0.62 0.00 0.00 57.03 56.28 2k13 h ASP 29 Cb 0.29 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.83 2k13 h ASP 29 CO 0.00 0.01 0.11 -0.33 -3.12 0.00 0.00 179.24 175.91 2k13 h GLU 30 N -0.40 0.86 -0.21 3.56 5.08 -1.95 -1.91 114.58 119.60 2k13 h GLU 30 Ca -0.02 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2k13 h GLU 30 Cb 0.31 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2k13 h GLU 30 CO 0.04 0.83 0.14 0.00 -1.00 0.00 0.00 179.01 179.01 2k13 h LYS 32 N 0.28 0.67 -0.51 0.00 6.56 -1.51 0.97 116.57 123.02 2k13 h LYS 32 Ca 0.08 -0.14 -0.01 0.00 -1.06 0.00 0.00 60.65 59.51 2k13 h LYS 32 Cb -0.02 -0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 31.52 2k13 h LYS 32 CO -0.02 0.65 0.26 1.57 -2.06 0.00 0.00 179.45 179.86 2k13 h LYS 33 N 0.56 0.72 -0.68 3.15 2.10 -1.05 -1.03 116.57 120.34 2k13 h LYS 33 Ca 0.14 -0.10 -0.01 0.00 -2.00 0.00 0.00 60.65 58.68 2k13 h LYS 33 Cb 0.26 -0.14 -0.03 0.00 -0.90 0.00 0.00 32.23 31.42 2k13 h LYS 33 CO -0.00 0.58 0.36 1.15 -2.00 0.00 0.00 179.45 179.54 2k13 h THR 34 N 0.68 1.21 -0.78 0.07 2.02 0.23 -0.79 112.91 115.55 2k13 h THR 34 Ca 0.18 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.82 2k13 h THR 34 Cb 0.09 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 2k13 h THR 34 CO -0.03 0.24 0.50 0.00 0.37 0.00 0.00 175.52 176.61 2k13 h PHE 36 N 1.07 0.73 0.23 0.00 0.04 -0.68 -3.23 116.94 115.10 2k13 h PHE 36 Ca 0.29 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.96 2k13 h PHE 36 Cb -0.09 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 37.85 2k13 h PHE 36 CO -0.01 0.67 -0.11 0.87 -0.60 0.00 0.00 178.31 179.13 2k13 h LYS 37 N 0.66 -0.29 0.00 1.51 1.79 -0.42 -3.45 116.57 116.37 2k13 h LYS 37 Ca 0.14 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2k13 h LYS 37 Cb 0.37 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2k13 h LYS 37 CO 0.01 -0.19 0.00 2.41 -1.08 0.00 0.00 179.45 180.60 2k13 n THR 38 N -5.22 0.00 -0.06 -0.16 -1.04 -1.11 -4.99 114.28 101.70 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 68.61 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 -3.43 114.58 111.45 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 0.36 -0.19 1.88 -1.00 0.00 0.00 179.01 180.06 2k13 h TYR 40 N -1.00 0.14 -0.53 4.33 0.05 -1.85 -3.40 116.97 114.71 2k13 h TYR 40 Ca -0.04 -0.02 -0.51 0.00 0.05 0.00 0.00 58.73 58.22 2k13 h TYR 40 Cb 0.48 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 38.14 2k13 h TYR 40 CO 0.05 0.32 1.71 0.00 -1.05 0.00 0.00 178.16 179.18 2k13 n TYR 42 N 11.17 0.00 -4.94 0.00 0.18 -1.25 -4.28 117.16 118.04 2k13 n TYR 42 Ca 0.47 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.93 2k13 n TYR 42 Cb 0.45 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.26 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 -0.03 2.75 0.03 -3.48 1.09 -1.26 0.35 121.20 120.65 2k13 s ILE 43 Ca 0.00 -0.79 0.04 0.00 -1.10 0.00 0.00 60.65 58.80 2k13 s ILE 43 Cb 0.00 -2.11 -0.02 0.00 -1.06 0.00 0.00 42.46 39.27 2k13 s ILE 43 CO 0.00 0.55 -0.11 -0.69 -0.10 0.00 0.00 174.94 174.59 2k13 s VAL 44 N 0.13 0.83 -0.09 2.92 1.01 -0.53 -0.24 120.40 124.44 2k13 s VAL 44 Ca -0.08 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.06 2k13 s VAL 44 Cb -0.15 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.45 2k13 s VAL 44 CO 0.05 -0.07 -0.21 -0.36 0.00 0.00 0.00 175.10 174.51 2k13 s PHE 45 N -0.85 2.25 -0.06 5.22 0.08 0.92 -2.55 117.98 122.99 2k13 s PHE 45 Ca -0.01 -0.88 0.05 0.00 0.12 0.00 0.00 56.93 56.20 2k13 s PHE 45 Cb -0.07 -1.52 -0.02 0.00 -0.57 0.00 0.00 43.02 40.84 2k13 s PHE 45 CO 0.01 -0.36 -0.20 -1.21 -0.10 0.00 0.00 175.22 173.36 2k13 s GLU 46 N 0.37 2.61 -0.36 0.44 0.41 -0.99 -0.51 118.70 120.67 2k13 s GLU 46 Ca -0.16 -0.81 -0.18 0.00 -0.41 0.00 0.00 54.97 53.40 2k13 s GLU 46 Cb -0.17 -2.28 -0.00 0.00 -1.78 0.00 0.00 34.13 29.90 2k13 s GLU 46 CO 0.07 0.45 0.52 0.34 -0.49 0.00 0.00 175.26 176.15 2k13 s ASP 47 N -0.31 6.31 0.36 -0.19 -1.08 0.40 -0.09 116.67 122.08 2k13 s ASP 47 Ca 0.01 -0.07 0.23 0.00 -0.52 0.00 0.00 52.55 52.21 2k13 s ASP 47 Cb -0.13 -2.27 0.31 0.00 -1.46 0.00 0.00 42.92 39.37 2k13 s ASP 47 CO 0.02 -0.50 1.50 0.00 0.52 0.00 0.00 175.17 176.71 2k13 h THR 48 N 5.63 0.00 0.08 1.71 1.03 -1.13 0.18 112.91 120.41 2k13 h THR 48 Ca -0.28 -0.94 -0.14 0.00 -0.01 0.00 0.00 66.41 65.05 2k13 h THR 48 Cb 1.12 1.82 0.01 0.00 -1.07 0.00 0.00 68.15 70.03 2k13 h THR 48 CO 0.78 0.00 -0.67 0.58 -0.01 0.00 0.00 175.52 176.20 2k13 h VAL 49 N 0.00 1.50 0.00 0.00 2.07 -1.91 -3.35 116.25 114.57 2k13 h VAL 49 Ca 0.00 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.08 2k13 h VAL 49 Cb 0.97 3.14 0.00 0.00 -1.52 0.00 0.00 31.29 33.87 2k13 h VAL 49 CO 0.00 0.66 -1.15 0.59 0.02 0.00 0.00 177.57 177.69 2k13 n ASN 50 N -4.27 0.61 -3.13 0.57 3.02 -1.25 -4.95 115.26 105.86 2k13 n ASN 50 Ca -0.15 0.07 -0.19 0.00 -0.03 0.00 0.00 54.58 54.28 2k13 n ASN 50 Cb 0.72 0.80 0.07 0.00 -0.61 0.00 0.00 39.78 40.76 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 -6.55 -3.59 3.52 4.01 0.56 -5.02 118.16 108.77 2k13 n LYS 51 Ca 0.00 0.71 -0.22 0.00 -0.51 0.00 0.00 58.31 58.29 2k13 n LYS 51 Cb 0.50 -5.39 -0.01 0.00 -0.51 0.00 0.00 35.03 29.62 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 -5.89 3.42 -0.08 1.97 0.41 -0.82 -4.84 118.70 112.88 2k13 s GLU 52 Ca 0.38 -0.55 0.01 0.00 -0.41 0.00 0.00 54.97 54.41 2k13 s GLU 52 Cb -0.17 -2.75 0.02 0.00 -1.78 0.00 0.00 34.13 29.45 2k13 s GLU 52 CO 0.62 0.23 -0.11 0.00 -0.49 0.00 0.00 175.26 175.51 2k13 s TYR 54 N 1.02 2.20 -0.12 0.00 1.51 0.33 -3.01 117.35 119.28 2k13 s TYR 54 Ca -0.08 -1.01 0.02 0.00 -1.01 0.00 0.00 57.07 54.99 2k13 s TYR 54 Cb -0.15 -1.54 -0.01 0.00 -0.11 0.00 0.00 41.96 40.16 2k13 s TYR 54 CO -0.01 -0.47 -0.18 1.52 -1.11 0.00 0.00 175.55 175.30 2k13 s TYR 55 N 0.76 2.70 -0.12 2.71 -0.85 -0.30 -0.06 117.35 122.20 2k13 s TYR 55 Ca -0.10 -0.86 -0.29 0.00 -0.52 0.00 0.00 57.07 55.29 2k13 s TYR 55 Cb -0.16 -1.79 -0.02 0.00 0.38 0.00 0.00 41.96 40.37 2k13 s TYR 55 CO 0.01 -0.33 1.29 1.21 -1.52 0.00 0.00 175.55 176.21 2k13 s ASN 56 N 0.40 6.94 0.00 -0.18 2.47 0.66 -1.77 114.94 123.46 2k13 s ASN 56 Ca -0.14 1.79 0.15 0.00 0.42 0.00 0.00 52.86 55.08 2k13 s ASN 56 Cb -0.17 -2.54 0.22 0.00 -1.45 0.00 0.00 41.25 37.31 2k13 s ASN 56 CO 0.06 -0.74 1.10 1.33 -3.72 0.00 0.00 177.10 175.13 2k13 n VAL 57 N 5.19 0.32 -4.29 -5.21 0.24 -1.06 -3.66 118.33 109.86 2k13 n VAL 57 Ca 0.14 -0.66 -0.23 0.00 -2.04 0.00 0.00 64.34 61.54 2k13 n VAL 57 Cb 0.45 1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 33.84 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 0.86 0.00 -1.95 3.34 0.31 -1.26 -4.56 118.33 115.08 2k13 n VAL 58 Ca 0.11 -1.76 -0.33 0.00 -0.01 0.00 0.00 64.34 62.34 2k13 n VAL 58 Cb 0.42 0.18 -0.04 0.00 -0.91 0.00 0.00 33.84 33.49 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 -3.24 5.04 0.00 4.52 -4.77 -1.26 -4.54 116.67 112.42 2k13 s ASP 59 Ca 0.09 0.15 0.25 0.00 -3.30 0.00 0.00 52.55 49.74 2k13 s ASP 59 Cb -0.01 -2.53 0.66 0.00 -1.09 0.00 0.00 42.92 39.95 2k13 s ASP 59 CO 0.05 -2.64 1.52 0.61 0.70 0.00 0.00 175.17 175.42 2k13 n GLY 60 N 6.11 0.52 0.26 2.12 0.00 -1.26 -3.14 105.19 109.80 2k13 n GLY 60 Ca 0.29 -0.55 0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 3.35 0.00 -0.00 1.61 4.81 -1.90 0.13 114.58 122.57 2k13 h GLU 61 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k13 h GLU 61 Cb 0.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 2k13 h GLU 61 CO 0.00 0.13 -0.09 0.39 -0.73 0.00 0.00 179.01 178.71 2k13 n GLU 62 N -3.59 0.40 -2.79 1.92 -0.58 -1.19 -4.79 120.64 110.02 2k13 n GLU 62 Ca -0.02 -0.09 -0.41 0.00 -0.42 0.00 0.00 57.16 56.22 2k13 n GLU 62 Cb 0.26 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.60 2k13 n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k13 s LEU 63 N -2.66 4.37 -0.57 -4.62 1.43 0.43 -4.98 118.68 112.08 2k13 s LEU 63 Ca 0.24 1.57 -0.19 0.00 -1.03 0.00 0.00 54.13 54.72 2k13 s LEU 63 Cb 0.20 -3.46 0.09 0.00 0.03 0.00 0.00 46.19 43.05 2k13 s LEU 63 CO 0.50 -0.20 0.67 -1.81 0.23 0.00 0.00 176.35 175.74 2k13 s ASP 64 N 0.84 6.19 0.44 2.29 1.01 -1.26 -4.90 116.67 121.28 2k13 s ASP 64 Ca 0.48 -1.34 0.22 0.00 0.71 0.00 0.00 52.55 52.62 2k13 s ASP 64 Cb -0.21 -2.29 1.02 0.00 1.01 0.00 0.00 42.92 42.45 2k13 s ASP 64 CO 0.26 -1.05 1.89 1.56 0.21 0.00 0.00 175.17 178.05 2k13 h GLN 65 N 9.13 0.00 0.00 8.23 1.08 -1.95 -2.28 115.11 129.32 2k13 h GLN 65 Ca -0.29 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 56.75 2k13 h GLN 65 Cb 1.09 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.50 2k13 h GLN 65 CO 1.07 0.25 -0.76 0.93 -0.95 0.00 0.00 178.83 179.37 2k13 h GLU 66 N 0.00 0.00 -0.57 1.46 3.07 -2.03 -2.84 114.58 113.67 2k13 h GLU 66 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2k13 h GLU 66 Cb 0.62 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 2k13 h GLU 66 CO 0.03 0.76 0.00 1.63 -1.40 0.00 0.00 179.01 180.03 2k13 n LYS 67 N -3.47 2.13 -2.53 2.33 4.01 -0.86 -4.86 118.16 114.91 2k13 n LYS 67 Ca -0.00 -1.16 -0.33 0.00 -0.51 0.00 0.00 58.31 56.31 2k13 n LYS 67 Cb 0.78 -1.53 -0.04 0.00 -0.51 0.00 0.00 35.03 33.73 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 -1.66 3.30 0.35 2.13 0.40 -1.08 -4.96 117.98 116.48 2k13 s PHE 68 Ca 0.21 1.54 0.09 0.00 -0.60 0.00 0.00 56.93 58.16 2k13 s PHE 68 Cb 0.14 -2.87 -0.05 0.00 0.51 0.00 0.00 43.02 40.75 2k13 s PHE 68 CO 0.10 -0.40 0.05 0.08 0.70 0.00 0.00 175.22 175.74 2k13 s VAL 69 N -2.37 2.57 -0.28 -0.44 1.01 -1.23 -4.93 120.40 114.73 2k13 s VAL 69 Ca 0.61 -1.91 -0.11 0.00 0.00 0.00 0.00 61.98 60.57 2k13 s VAL 69 Cb -0.11 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 2k13 s VAL 69 CO 0.24 -0.16 0.18 -0.69 0.00 0.00 0.00 175.10 174.67 2k13 s VAL 70 N -2.53 5.20 -0.27 2.92 1.01 -1.24 0.12 120.40 125.61 2k13 s VAL 70 Ca 0.36 0.10 -0.13 0.00 0.00 0.00 0.00 61.98 62.32 2k13 s VAL 70 Cb 0.01 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2k13 s VAL 70 CO 0.20 0.24 0.26 -1.81 0.00 0.00 0.00 175.10 173.99 2k13 s ASP 71 N 1.74 6.13 0.63 3.32 1.01 -1.24 -4.65 116.67 123.62 2k13 s ASP 71 Ca 0.07 0.13 0.42 0.00 0.71 0.00 0.00 52.55 53.88 2k13 s ASP 71 Cb -0.16 -2.16 2.30 0.00 1.01 0.00 0.00 42.92 43.91 2k13 s ASP 71 CO 0.10 -0.08 2.29 -0.33 0.21 0.00 0.00 175.17 177.36 2k13 h GLU 72 N 8.15 0.00 0.00 8.23 5.08 -1.93 -1.73 114.58 132.38 2k13 h GLU 72 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2k13 h GLU 72 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2k13 h GLU 72 CO 0.60 0.00 -0.58 -0.91 -1.00 0.00 0.00 179.01 177.12 2k13 h ASN 73 N 0.00 0.00 -2.42 1.42 2.35 -1.96 -3.47 115.58 111.51 2k13 h ASN 73 Ca 0.00 -0.05 -0.56 0.00 -0.55 0.00 0.00 56.30 55.14 2k13 h ASN 73 Cb 0.01 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.29 2k13 h ASN 73 CO 0.00 0.03 -0.61 -0.36 -1.65 0.00 0.00 177.43 174.83 2k13 s PHE 74 N -3.26 2.87 -0.07 1.19 0.40 -0.65 -0.57 117.98 117.90 2k13 s PHE 74 Ca 0.04 -0.16 0.05 0.00 -0.60 0.00 0.00 56.93 56.26 2k13 s PHE 74 Cb 0.10 -1.32 -0.01 0.00 0.51 0.00 0.00 43.02 42.30 2k13 s PHE 74 CO 0.73 0.56 -0.23 0.99 0.70 0.00 0.00 175.22 177.97 2k13 s THR 75 N -2.08 2.26 -0.17 0.64 2.01 0.88 -3.38 115.64 115.81 2k13 s THR 75 Ca 0.31 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.33 2k13 s THR 75 Cb -0.08 -1.84 0.02 0.00 0.01 0.00 0.00 72.50 70.61 2k13 s THR 75 CO 0.21 0.57 -0.20 -0.70 -0.69 0.00 0.00 174.62 173.81 2k13 s GLU 76 N -0.14 2.91 -0.08 4.92 2.12 -1.13 -2.36 118.70 124.94 2k13 s GLU 76 Ca -0.04 -0.80 -0.03 0.00 0.36 0.00 0.00 54.97 54.46 2k13 s GLU 76 Cb -0.14 -2.48 0.04 0.00 0.26 0.00 0.00 34.13 31.81 2k13 s GLU 76 CO 0.04 -0.17 0.17 0.54 -0.54 0.00 0.00 175.26 175.29 2k13 s ASN 77 N 1.21 0.12 -0.06 -1.70 6.03 -1.06 -3.01 114.94 116.48 2k13 s ASN 77 Ca 0.02 0.35 0.05 0.00 -1.03 0.00 0.00 52.86 52.25 2k13 s ASN 77 Cb -0.13 0.27 -0.02 0.00 -3.03 0.00 0.00 41.25 38.33 2k13 s ASN 77 CO -0.10 -0.18 -0.19 -0.72 -2.03 0.00 0.00 177.10 173.87 2k13 s TYR 78 N 1.55 2.57 -0.53 1.54 1.13 -0.87 -1.45 117.35 121.28 2k13 s TYR 78 Ca -0.05 -0.43 -0.28 0.00 -1.41 0.00 0.00 57.07 54.90 2k13 s TYR 78 Cb -0.12 -1.62 0.03 0.00 -1.10 0.00 0.00 41.96 39.15 2k13 s TYR 78 CO -0.06 -0.02 1.11 -1.17 -2.51 0.00 0.00 175.55 172.90 2k13 s LEU 79 N -0.41 3.66 0.06 -3.49 2.96 0.16 -0.41 118.68 121.21 2k13 s LEU 79 Ca 0.04 0.16 0.06 0.00 -0.22 0.00 0.00 54.13 54.17 2k13 s LEU 79 Cb -0.12 -3.25 -0.03 0.00 0.50 0.00 0.00 46.19 43.29 2k13 s LEU 79 CO 0.02 -1.32 -0.16 0.28 -1.32 0.00 0.00 176.35 173.84 2k13 s THR 80 N 4.52 1.28 0.00 3.68 -1.32 -1.24 -4.91 115.64 117.64 2k13 s THR 80 Ca 0.42 -1.21 0.00 0.00 -1.21 0.00 0.00 61.69 59.70 2k13 s THR 80 Cb -0.08 -1.17 0.00 0.00 -1.51 0.00 0.00 72.50 69.74 2k13 s THR 80 CO 0.27 -0.05 0.00 0.47 -2.21 0.00 0.00 174.62 173.10 2k13 n ASP 81 N 1.57 0.00 0.00 8.08 8.00 -1.26 -4.61 116.55 128.33 2k13 n ASP 81 Ca -0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.31 2k13 n ASP 81 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 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 -1.26 -0.38 0.00 0.00 -0.00 -1.26 -4.84 120.64 112.91 2k13 n GLU 83 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 57.16 57.24 2k13 n GLU 83 Cb 0.00 -2.18 0.00 0.00 -0.00 0.00 0.00 31.44 29.26 2k13 n GLU 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k13 n GLY 84 N -1.98 0.98 3.39 -1.84 0.00 -1.26 -5.10 105.19 99.38 2k13 n GLY 84 Ca -0.12 0.09 -0.51 0.00 0.00 0.00 0.00 46.02 45.48 2k13 n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k13 n LYS 85 N 0.00 0.49 0.04 1.61 4.81 -1.26 -4.73 118.16 119.11 2k13 n LYS 85 Ca 0.00 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 2k13 n LYS 85 Cb 0.00 -2.01 0.00 0.00 0.02 0.00 0.00 35.03 33.04 2k13 n LYS 85 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2k13 n ASP 86 N 9.63 0.08 -1.77 3.14 2.03 -1.26 -4.83 116.55 123.57 2k13 n ASP 86 Ca 0.51 0.13 -0.15 0.00 0.52 0.00 0.00 54.79 55.79 2k13 n ASP 86 Cb 0.12 0.06 0.09 0.00 -0.72 0.00 0.00 41.12 40.67 2k13 n ASP 86 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k13 n ALA 87 N -2.94 4.54 0.49 -1.67 0.00 -1.26 -4.43 120.51 115.24 2k13 n ALA 87 Ca 0.00 -1.75 0.12 0.00 0.00 0.00 0.00 53.44 51.81 2k13 n ALA 87 Cb 0.11 -1.30 0.46 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.33 -1.38 0.04 0.00 0.00 -1.26 -1.93 105.19 100.32 2k13 n GLY 88 Ca 0.35 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.53 2k13 n GLY 88 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k13 n ASN 89 N -2.16 0.51 -4.50 1.61 6.94 -1.26 -4.45 115.26 111.94 2k13 n ASN 89 Ca 0.03 0.21 -0.42 0.00 -0.02 0.00 0.00 54.58 54.38 2k13 n ASN 89 Cb 0.29 -0.17 -0.03 0.00 -2.36 0.00 0.00 39.78 37.51 2k13 n ASN 89 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k13 s ALA 90 N -3.07 2.99 0.00 -2.53 0.00 -0.81 -4.73 121.76 113.61 2k13 s ALA 90 Ca 0.10 -2.12 0.00 0.00 0.00 0.00 0.00 51.96 49.94 2k13 s ALA 90 Cb 0.16 -4.19 0.00 0.00 0.00 0.00 0.00 23.12 19.09 2k13 s ALA 90 CO 0.65 -3.18 0.00 0.00 0.00 0.00 0.00 175.76 173.23 2k13 n ALA 91 N 8.07 0.00 -0.01 0.00 0.00 -1.26 -4.61 120.51 122.70 2k13 n ALA 91 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2k13 n ALA 91 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 0.00 1.68 3.43 0.00 0.00 -1.16 -4.55 105.19 104.59 2k13 n GLY 92 Ca 0.00 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 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 0.00 4.65 -1.28 2.61 -4.23 -1.26 -4.17 115.64 111.96 2k13 s THR 93 Ca 0.00 -0.54 -0.03 0.00 -1.18 0.00 0.00 61.69 59.94 2k13 s THR 93 Cb 0.00 -3.45 -0.01 0.00 1.34 0.00 0.00 72.50 70.39 2k13 s THR 93 CO 0.00 -0.03 0.70 0.61 -0.54 0.00 0.00 174.62 175.35 2k13 n GLY 94 N 5.00 -0.42 2.90 3.99 0.00 -1.26 -4.96 105.19 110.43 2k13 n GLY 94 Ca -0.13 0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.20 4.34 -0.05 1.61 2.15 -1.26 -5.06 116.67 114.21 2k13 s ASP 95 Ca 0.09 -2.32 0.03 0.00 0.43 0.00 0.00 52.55 50.77 2k13 s ASP 95 Cb -0.02 -1.38 0.00 0.00 -0.30 0.00 0.00 42.92 41.21 2k13 s ASP 95 CO 0.82 -0.34 -0.13 -1.61 -0.17 0.00 0.00 175.17 173.74 2k13 s GLU 96 N 0.69 1.53 -0.14 4.34 2.02 -1.26 -4.85 118.70 121.03 2k13 s GLU 96 Ca 0.13 -0.45 -0.27 0.00 0.02 0.00 0.00 54.97 54.39 2k13 s GLU 96 Cb -0.21 -1.32 -0.26 0.00 0.10 0.00 0.00 34.13 32.44 2k13 s GLU 96 CO -0.08 0.13 0.70 0.77 0.02 0.00 0.00 175.26 176.80 2k13 h SER 97 N 6.55 0.05 0.00 -0.19 0.02 -1.97 -3.50 113.55 114.50 2k13 h SER 97 Ca -0.32 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 59.70 2k13 h SER 97 Cb 1.18 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2k13 h SER 97 CO 0.48 1.11 0.00 -0.67 -1.14 0.00 0.00 176.83 176.61 2k13 n ASP 98 N -4.53 0.00 -3.54 3.07 -0.08 -1.26 -5.10 116.55 105.10 2k13 n ASP 98 Ca -0.14 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.85 2k13 n ASP 98 Cb 0.54 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.88 2k13 n ASP 98 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 2k13 s GLU 99 N -0.37 0.68 -0.04 -0.67 2.56 -1.26 -4.77 118.70 114.83 2k13 s GLU 99 Ca 0.00 -1.37 0.06 0.00 0.00 0.00 0.00 54.97 53.65 2k13 s GLU 99 Cb 0.00 -1.54 0.09 0.00 2.00 0.00 0.00 34.13 34.68 2k13 s GLU 99 CO 0.00 -1.17 0.95 0.28 -0.56 0.00 0.00 175.26 174.76 2k13 n VAL 100 N 4.11 0.90 -2.45 3.70 0.31 -1.26 -5.00 118.33 118.63 2k13 n VAL 100 Ca 0.09 -1.01 -0.05 0.00 -0.01 0.00 0.00 64.34 63.36 2k13 n VAL 100 Cb 0.37 0.37 0.01 0.00 -0.91 0.00 0.00 33.84 33.67 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 -0.60 -6.08 0.00 4.52 2.03 -1.26 -4.97 116.55 110.19 2k13 n ASP 101 Ca 0.05 0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.66 2k13 n ASP 101 Cb 0.50 -4.01 0.00 0.00 -0.72 0.00 0.00 41.12 36.89 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 -0.55 0.00 0.00 -0.67 2.13 -1.26 -5.25 120.64 115.03 2k13 n GLU 102 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 2k13 n GLU 102 Cb 0.35 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.06 2k13 n GLU 102 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25