#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cup n SER 2 N 0.00 1.90 -4.15 1.61 7.64 -1.26 -4.87 113.62 114.49 2cup n SER 2 Ca 0.00 0.42 -0.37 0.00 1.01 0.00 0.00 58.87 59.93 2cup n SER 2 Cb 0.00 -0.80 -0.12 0.00 -1.01 0.00 0.00 64.21 62.28 2cup n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cup s SER 3 N -6.10 5.25 1.04 6.43 1.04 -1.26 -5.10 113.70 114.99 2cup s SER 3 Ca -0.26 -1.80 -0.06 0.00 0.48 0.00 0.00 55.95 54.30 2cup s SER 3 Cb 0.05 -1.83 0.09 0.00 0.10 0.00 0.00 66.02 64.43 2cup s SER 3 CO 0.39 -0.49 0.43 0.61 0.98 0.00 0.00 173.24 175.16 2cup n GLY 4 N 4.65 -1.80 3.00 7.32 0.00 -1.26 -5.04 105.19 112.07 2cup n GLY 4 Ca -0.06 -1.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 2cup n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cup s SER 5 N -2.63 4.66 -0.94 1.61 0.01 -1.26 -5.05 113.70 110.10 2cup s SER 5 Ca 0.26 -2.41 -0.16 0.00 1.31 0.00 0.00 55.95 54.94 2cup s SER 5 Cb -0.01 -1.64 0.17 0.00 0.21 0.00 0.00 66.02 64.74 2cup s SER 5 CO 0.19 -0.34 1.06 -0.94 0.41 0.00 0.00 173.24 173.61 2cup s SER 6 N 0.59 6.76 0.48 2.44 1.04 -1.26 -5.01 113.70 118.74 2cup s SER 6 Ca 0.13 -2.44 0.06 0.00 0.48 0.00 0.00 55.95 54.18 2cup s SER 6 Cb -0.21 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2cup s SER 6 CO -0.05 -0.83 0.34 -0.83 0.98 0.00 0.00 173.24 172.85 2cup s GLY 7 N 2.96 2.31 0.17 7.32 0.00 -1.26 -3.40 107.32 115.43 2cup s GLY 7 Ca 0.29 -1.61 -0.19 0.00 0.00 0.00 0.00 44.72 43.22 2cup s GLY 7 CO -0.08 -1.87 0.66 0.00 0.00 0.00 0.00 173.10 171.81 2cup n VAL 9 N 1.00 0.16 -0.06 0.00 0.24 -1.07 -2.41 118.33 116.18 2cup n VAL 9 Ca -0.05 -0.28 -0.06 0.00 -2.04 0.00 0.00 64.34 61.92 2cup n VAL 9 Cb 0.51 0.21 -0.05 0.00 -1.47 0.00 0.00 33.84 33.05 2cup n VAL 9 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2cup h GLU 10 N 0.00 0.00 -0.41 7.34 4.81 -1.94 -3.37 114.58 121.02 2cup h GLU 10 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2cup h GLU 10 Cb 0.76 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.14 2cup h GLU 10 CO 0.00 0.35 0.00 0.00 -0.73 0.00 0.00 179.01 178.63 2cup n ARG 12 N 1.27 -2.63 -4.24 0.00 1.74 -1.01 -4.92 116.66 106.88 2cup n ARG 12 Ca 0.19 0.28 -0.26 0.00 -0.77 0.00 0.00 57.85 57.29 2cup n ARG 12 Cb 0.55 -4.89 -0.08 0.00 -1.02 0.00 0.00 32.46 27.02 2cup n ARG 12 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2cup s LYS 13 N -5.80 2.30 0.33 5.56 -0.14 -1.22 -4.87 119.74 115.90 2cup s LYS 13 Ca 0.30 -1.19 -0.28 0.00 -1.36 0.00 0.00 55.97 53.44 2cup s LYS 13 Cb -0.17 -2.28 -0.10 0.00 -1.68 0.00 0.00 37.83 33.60 2cup s LYS 13 CO 0.37 0.44 1.22 -1.25 -0.76 0.00 0.00 175.35 175.37 2cup s PRO 14 N -3.01 4.39 -0.11 -1.68 0.04 -1.26 -0.27 135.00 133.10 2cup s PRO 14 Ca 0.27 2.03 -0.04 0.00 0.04 0.00 0.00 61.00 63.30 2cup s PRO 14 Cb -0.09 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 2cup s PRO 14 CO 0.18 -0.09 0.04 0.42 0.04 0.00 0.00 177.00 177.59 2cup s ILE 15 N -1.19 4.66 0.40 0.56 1.01 -1.22 -4.83 121.20 120.59 2cup s ILE 15 Ca 0.49 -0.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.96 2cup s ILE 15 Cb -0.36 -3.00 0.10 0.00 0.01 0.00 0.00 42.46 39.21 2cup s ILE 15 CO 0.47 0.59 0.39 0.61 0.00 0.00 0.00 174.94 177.00 2cup n GLY 16 N 2.32 -2.24 0.13 6.18 0.00 -1.26 -4.89 105.19 105.43 2cup n GLY 16 Ca -0.19 -1.52 -0.22 0.00 0.00 0.00 0.00 46.02 44.10 2cup n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cup n ALA 17 N -3.55 1.15 0.01 4.61 0.00 -1.26 -4.27 120.51 117.20 2cup n ALA 17 Ca -0.07 -0.88 -0.01 0.00 0.00 0.00 0.00 53.44 52.48 2cup n ALA 17 Cb 0.20 -0.28 0.17 0.00 0.00 0.00 0.00 19.45 19.55 2cup n ALA 17 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2cup n ASP 18 N -3.68 3.37 -4.64 0.00 2.03 -1.26 -4.86 116.55 107.50 2cup n ASP 18 Ca -0.42 -2.55 -0.35 0.00 0.52 0.00 0.00 54.79 51.99 2cup n ASP 18 Cb 0.94 -0.61 -0.10 0.00 -0.72 0.00 0.00 41.12 40.63 2cup n ASP 18 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2cup s SER 19 N -0.32 5.53 -0.42 1.67 0.01 -1.26 -5.04 113.70 113.87 2cup s SER 19 Ca 0.27 0.09 -0.27 0.00 1.31 0.00 0.00 55.95 57.36 2cup s SER 19 Cb 0.22 -1.89 -0.05 0.00 0.21 0.00 0.00 66.02 64.51 2cup s SER 19 CO 0.07 0.22 2.14 -0.54 0.41 0.00 0.00 173.24 175.54 2cup s LYS 20 N 0.10 2.68 0.35 12.44 1.02 -1.26 -4.89 119.74 130.18 2cup s LYS 20 Ca 0.04 1.40 0.09 0.00 0.02 0.00 0.00 55.97 57.52 2cup s LYS 20 Cb -0.12 -4.42 -0.05 0.00 -0.52 0.00 0.00 37.83 32.71 2cup s LYS 20 CO 0.01 -2.63 0.05 -1.83 -0.92 0.00 0.00 175.35 170.03 2cup s GLU 21 N 7.08 2.14 -0.28 1.68 -1.05 -1.26 -2.44 118.70 124.56 2cup s GLU 21 Ca 0.89 -1.74 0.01 0.00 -0.15 0.00 0.00 54.97 53.98 2cup s GLU 21 Cb -0.21 -1.96 0.08 0.00 -0.44 0.00 0.00 34.13 31.60 2cup s GLU 21 CO 0.28 0.10 0.00 0.08 0.95 0.00 0.00 175.26 176.68 2cup s VAL 22 N -2.52 1.65 -0.30 1.83 1.01 -0.89 -4.96 120.40 116.22 2cup s VAL 22 Ca 0.36 -1.61 -0.19 0.00 0.00 0.00 0.00 61.98 60.54 2cup s VAL 22 Cb 0.00 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 2cup s VAL 22 CO 0.20 -0.36 0.56 -2.28 0.00 0.00 0.00 175.10 173.22 2cup s HIS 23 N 1.28 3.22 -0.18 5.22 5.04 -1.26 -2.34 115.29 126.28 2cup s HIS 23 Ca 0.02 0.50 -0.12 0.00 -1.54 0.00 0.00 55.06 53.92 2cup s HIS 23 Cb -0.19 -2.88 0.05 0.00 0.04 0.00 0.00 32.58 29.61 2cup s HIS 23 CO -0.11 -0.42 0.44 -0.47 -2.34 0.00 0.00 174.74 171.85 2cup s TYR 24 N 2.45 -0.59 -1.42 3.88 5.04 -1.06 -4.91 117.35 120.73 2cup s TYR 24 Ca 0.22 1.31 -0.08 0.00 -2.44 0.00 0.00 57.07 56.09 2cup s TYR 24 Cb -0.15 0.25 0.04 0.00 0.35 0.00 0.00 41.96 42.46 2cup s TYR 24 CO 0.11 -0.32 0.87 1.63 -1.34 0.00 0.00 175.55 176.51 2cup n LYS 25 N 3.73 -5.42 -2.98 4.97 4.76 -1.26 -0.93 118.16 121.03 2cup n LYS 25 Ca -0.19 0.62 -0.22 0.00 -2.87 0.00 0.00 58.31 55.64 2cup n LYS 25 Cb 0.56 -5.38 0.03 0.00 -1.84 0.00 0.00 35.03 28.40 2cup n LYS 25 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2cup n ASN 26 N -2.94 -6.17 -3.86 4.39 2.85 -1.26 -4.98 115.26 103.29 2cup n ASN 26 Ca -0.11 -0.27 -0.25 0.00 -0.11 0.00 0.00 54.58 53.84 2cup n ASN 26 Cb 0.59 -4.99 -0.07 0.00 1.24 0.00 0.00 39.78 36.56 2cup n ASN 26 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2cup n ARG 27 N -3.97 0.62 -3.65 1.20 5.12 -0.11 -5.14 116.66 110.73 2cup n ARG 27 Ca -0.12 -3.33 -0.05 0.00 -1.93 0.00 0.00 57.85 52.42 2cup n ARG 27 Cb 0.63 1.70 -0.06 0.00 -1.16 0.00 0.00 32.46 33.57 2cup n ARG 27 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2cup s PHE 28 N -2.99 -1.14 -0.02 -1.55 0.40 -1.25 -2.57 117.98 108.86 2cup s PHE 28 Ca 0.18 2.15 0.06 0.00 -0.60 0.00 0.00 56.93 58.71 2cup s PHE 28 Cb 0.01 0.67 -0.01 0.00 0.51 0.00 0.00 43.02 44.20 2cup s PHE 28 CO 0.12 -0.57 -0.19 -1.58 0.70 0.00 0.00 175.22 173.70 2cup s TRP 29 N 2.14 1.71 0.66 0.36 0.51 -0.99 -2.61 118.94 120.72 2cup s TRP 29 Ca -0.08 -0.34 -0.17 0.00 -2.12 0.00 0.00 56.10 53.39 2cup s TRP 29 Cb -0.08 -1.10 -0.00 0.00 -0.81 0.00 0.00 33.47 31.47 2cup s TRP 29 CO -0.19 -0.04 1.21 -1.01 -0.51 0.00 0.00 176.95 176.41 2cup s HIS 30 N -0.41 2.25 0.11 -1.98 3.76 -1.26 -2.09 115.29 115.66 2cup s HIS 30 Ca 0.06 1.55 0.16 0.00 -0.15 0.00 0.00 55.06 56.68 2cup s HIS 30 Cb -0.08 -3.48 0.90 0.00 1.11 0.00 0.00 32.58 31.03 2cup s HIS 30 CO -0.00 -2.41 1.43 0.38 -0.85 0.00 0.00 174.74 173.29 2cup h ASP 31 N 0.34 0.00 0.00 1.40 3.04 -1.85 0.66 116.42 120.00 2cup h ASP 31 Ca -0.49 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.30 2cup h ASP 31 Cb 1.30 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.59 2cup h ASP 31 CO 0.53 0.00 -1.13 1.07 -2.04 0.00 0.00 179.24 177.66 2cup n THR 32 N -2.21 0.00 -0.03 1.15 5.66 -1.26 -4.61 114.28 112.99 2cup n THR 32 Ca -0.01 -0.25 -0.22 0.00 -3.05 0.00 0.00 64.05 60.52 2cup n THR 32 Cb 0.31 0.54 -0.13 0.00 -1.55 0.00 0.00 70.33 69.50 2cup n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2cup n PHE 34 N -3.85 1.32 -3.72 0.00 7.35 0.61 -4.85 117.46 114.32 2cup n PHE 34 Ca -0.31 0.11 -0.10 0.00 -0.76 0.00 0.00 57.45 56.39 2cup n PHE 34 Cb 0.91 -2.60 -0.03 0.00 0.35 0.00 0.00 39.48 38.11 2cup n PHE 34 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 2cup s ARG 35 N 8.44 1.43 1.08 -4.13 1.70 -1.26 -3.32 118.95 122.89 2cup s ARG 35 Ca 0.99 -0.83 -0.12 0.00 -0.47 0.00 0.00 55.73 55.30 2cup s ARG 35 Cb -0.23 0.54 0.24 0.00 -0.57 0.00 0.00 34.95 34.94 2cup s ARG 35 CO 0.24 -0.62 1.07 0.00 -1.08 0.00 0.00 175.30 174.91 2cup n ALA 37 N -4.72 3.14 -0.08 0.00 0.00 -1.13 -3.36 120.51 114.36 2cup n ALA 37 Ca 0.06 -0.47 -0.16 0.00 0.00 0.00 0.00 53.44 52.87 2cup n ALA 37 Cb 0.53 -0.47 -0.06 0.00 0.00 0.00 0.00 19.45 19.45 2cup n ALA 37 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2cup n LYS 38 N -0.37 0.35 -0.00 0.00 4.81 -1.26 -4.57 118.16 117.11 2cup n LYS 38 Ca 0.05 0.14 0.09 0.00 -0.87 0.00 0.00 58.31 57.72 2cup n LYS 38 Cb 0.27 -1.11 -0.11 0.00 0.02 0.00 0.00 35.03 34.10 2cup n LYS 38 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2cup n LEU 40 N -1.53 -3.79 -4.66 0.00 7.99 -1.21 -4.96 117.00 108.84 2cup n LEU 40 Ca 0.02 -0.60 -0.35 0.00 -0.01 0.00 0.00 56.01 55.08 2cup n LEU 40 Cb 0.31 -3.08 -0.10 0.00 -0.11 0.00 0.00 43.42 40.44 2cup n LEU 40 CO 0.37 0.48 -0.32 -2.28 -1.51 0.00 0.00 177.39 174.12 2cup s HIS 41 N -3.35 3.11 -0.00 -1.77 5.65 -1.26 -4.67 115.29 112.99 2cup s HIS 41 Ca 0.20 0.15 -0.30 0.00 0.25 0.00 0.00 55.06 55.37 2cup s HIS 41 Cb -0.09 -1.77 -0.06 0.00 -1.18 0.00 0.00 32.58 29.49 2cup s HIS 41 CO 0.73 0.44 1.45 -1.25 -0.65 0.00 0.00 174.74 175.46 2cup s PRO 42 N -0.90 4.26 -0.14 2.88 0.04 -1.26 0.31 135.00 140.19 2cup s PRO 42 Ca 0.13 2.02 0.15 0.00 0.04 0.00 0.00 61.00 63.34 2cup s PRO 42 Cb -0.11 -3.61 0.68 0.00 0.04 0.00 0.00 34.50 31.49 2cup s PRO 42 CO 0.02 -0.62 1.56 1.28 0.04 0.00 0.00 177.00 179.28 2cup n LEU 43 N 5.58 4.64 -0.15 -3.56 7.99 -1.21 -4.39 117.00 125.90 2cup n LEU 43 Ca 0.14 -2.35 0.03 0.00 -0.01 0.00 0.00 56.01 53.82 2cup n LEU 43 Cb 0.43 -0.59 0.32 0.00 -0.11 0.00 0.00 43.42 43.47 2cup n LEU 43 CO 0.59 0.67 1.21 0.00 -1.51 0.00 0.00 177.39 178.35 2cup h ALA 44 N 3.89 1.60 -0.01 -1.18 0.00 -1.91 -2.86 119.26 118.80 2cup h ALA 44 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2cup h ALA 44 Cb 1.52 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2cup h ALA 44 CO 0.30 0.34 -0.03 0.09 0.00 0.00 0.00 179.25 179.95 2cup n ASN 45 N -4.45 1.23 -4.36 0.00 4.13 -1.26 -5.01 115.26 105.54 2cup n ASN 45 Ca 0.08 -1.12 -0.30 0.00 1.68 0.00 0.00 54.58 54.93 2cup n ASN 45 Cb 0.10 0.14 -0.14 0.00 -1.54 0.00 0.00 39.78 38.34 2cup n ASN 45 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2cup s GLU 46 N -0.54 1.63 0.57 3.52 2.56 -1.08 -5.11 118.70 120.24 2cup s GLU 46 Ca 0.05 -1.20 -0.21 0.00 0.00 0.00 0.00 54.97 53.61 2cup s GLU 46 Cb 0.04 -1.93 -0.04 0.00 2.00 0.00 0.00 34.13 34.19 2cup s GLU 46 CO 0.08 0.48 1.28 2.41 -0.56 0.00 0.00 175.26 178.95 2cup n THR 47 N 1.43 3.98 -4.36 -1.70 -1.04 -1.26 -4.54 114.28 106.79 2cup n THR 47 Ca -0.17 -0.50 -0.19 0.00 -2.04 0.00 0.00 64.05 61.15 2cup n THR 47 Cb 0.52 -1.54 -0.10 0.00 -1.82 0.00 0.00 70.33 67.40 2cup n THR 47 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2cup s PHE 48 N -1.34 1.70 -0.03 -1.42 -0.71 -1.26 -4.43 117.98 110.49 2cup s PHE 48 Ca 0.74 -0.75 0.02 0.00 -1.04 0.00 0.00 56.93 55.90 2cup s PHE 48 Cb -0.42 -0.93 0.01 0.00 -1.21 0.00 0.00 43.02 40.47 2cup s PHE 48 CO 0.47 0.17 -0.07 0.08 -1.34 0.00 0.00 175.22 174.53 2cup s VAL 49 N -3.17 0.68 -0.39 -2.49 1.01 0.75 -4.93 120.40 111.86 2cup s VAL 49 Ca 0.26 -0.27 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 2cup s VAL 49 Cb 0.03 -0.64 0.04 0.00 0.00 0.00 0.00 36.38 35.81 2cup s VAL 49 CO 0.09 0.23 0.23 0.00 0.00 0.00 0.00 175.10 175.65 2cup s ALA 50 N 0.48 3.29 -0.01 5.51 0.00 -1.26 -1.62 121.76 128.15 2cup s ALA 50 Ca -0.07 -1.83 -0.02 0.00 0.00 0.00 0.00 51.96 50.04 2cup s ALA 50 Cb -0.11 -2.63 -0.00 0.00 0.00 0.00 0.00 23.12 20.38 2cup s ALA 50 CO 0.01 -1.47 0.04 0.15 0.00 0.00 0.00 175.76 174.49 2cup s LYS 51 N 1.53 0.16 -1.49 0.00 1.02 -0.86 -4.87 119.74 115.22 2cup s LYS 51 Ca 0.02 -0.14 -0.09 0.00 0.02 0.00 0.00 55.97 55.78 2cup s LYS 51 Cb -0.20 0.06 0.06 0.00 -0.52 0.00 0.00 37.83 37.24 2cup s LYS 51 CO 0.06 -0.03 0.76 -3.47 -0.92 0.00 0.00 175.35 171.75 2cup n ASP 52 N 2.55 -2.77 -3.42 2.83 2.03 -1.26 -0.48 116.55 116.03 2cup n ASP 52 Ca -0.16 -0.88 -0.24 0.00 0.52 0.00 0.00 54.79 54.03 2cup n ASP 52 Cb 0.58 -3.52 -0.01 0.00 -0.72 0.00 0.00 41.12 37.45 2cup n ASP 52 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2cup n ASN 53 N -2.88 -3.51 -3.87 1.67 3.02 -1.26 -4.93 115.26 103.50 2cup n ASN 53 Ca -0.10 -0.42 -0.12 0.00 -0.03 0.00 0.00 54.58 53.91 2cup n ASN 53 Cb 0.59 -2.91 -0.13 0.00 -0.61 0.00 0.00 39.78 36.71 2cup n ASN 53 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2cup s LYS 54 N -6.06 0.07 -0.03 3.52 1.02 0.37 -5.14 119.74 113.49 2cup s LYS 54 Ca 0.42 -0.04 -0.23 0.00 0.02 0.00 0.00 55.97 56.14 2cup s LYS 54 Cb -0.22 0.03 -0.04 0.00 -0.52 0.00 0.00 37.83 37.07 2cup s LYS 54 CO 0.51 -0.01 0.69 0.42 -0.92 0.00 0.00 175.35 176.04 2cup s ILE 55 N -0.17 4.95 0.08 2.17 -1.09 -1.26 -2.03 121.20 123.85 2cup s ILE 55 Ca -0.02 1.44 -0.10 0.00 -2.23 0.00 0.00 60.65 59.74 2cup s ILE 55 Cb -0.01 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 2cup s ILE 55 CO -0.00 0.31 0.22 -0.76 -1.23 0.00 0.00 174.94 173.48 2cup s LEU 56 N 0.39 1.28 0.08 2.97 1.43 -0.64 -2.82 118.68 121.37 2cup s LEU 56 Ca 0.36 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 2cup s LEU 56 Cb -0.18 1.12 -0.04 0.00 0.03 0.00 0.00 46.19 47.12 2cup s LEU 56 CO 0.19 -0.70 0.17 0.00 0.23 0.00 0.00 176.35 176.24 2cup h ASN 58 N 3.03 -0.19 -1.09 0.00 7.08 -1.92 0.31 115.58 122.80 2cup h ASN 58 Ca -0.46 0.16 0.30 0.00 -3.08 0.00 0.00 56.30 53.22 2cup h ASN 58 Cb 1.17 0.27 -0.10 0.00 -2.08 0.00 0.00 38.32 37.57 2cup h ASN 58 CO 0.71 -0.11 0.71 0.11 -2.08 0.00 0.00 177.43 176.77 2cup h LYS 59 N 0.17 0.31 0.00 4.14 1.57 -1.95 -1.06 116.57 119.75 2cup h LYS 59 Ca 0.38 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 59.10 2cup h LYS 59 Cb 0.65 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2cup h LYS 59 CO -0.56 0.21 -0.38 0.00 -0.57 0.00 0.00 179.45 178.15 2cup h THR 61 N -1.00 0.11 0.05 0.00 1.35 -0.37 0.38 112.91 113.42 2cup h THR 61 Ca -0.07 -0.01 -0.12 0.00 -0.55 0.00 0.00 66.41 65.66 2cup h THR 61 Cb 0.65 0.09 -0.00 0.00 -1.73 0.00 0.00 68.15 67.16 2cup h THR 61 CO -0.04 0.00 -0.61 0.71 -0.25 0.00 0.00 175.52 175.33 2cup h THR 62 N 0.02 1.47 -2.15 6.82 1.35 -1.34 -3.45 112.91 115.63 2cup h THR 62 Ca 0.85 -2.38 -0.59 0.00 -0.55 0.00 0.00 66.41 63.73 2cup h THR 62 Cb 3.25 3.06 0.03 0.00 -1.73 0.00 0.00 68.15 72.76 2cup h THR 62 CO -0.09 0.60 1.03 -1.14 -0.25 0.00 0.00 175.52 175.67 2cup n ARG 63 N -4.36 2.27 -1.05 4.72 0.63 0.13 -4.86 116.66 114.14 2cup n ARG 63 Ca -0.17 0.83 -0.23 0.00 -0.92 0.00 0.00 57.85 57.36 2cup n ARG 63 Cb 0.66 -2.66 0.10 0.00 0.45 0.00 0.00 32.46 31.00 2cup n ARG 63 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2cup n GLU 64 N 5.75 2.15 -3.33 -0.14 2.13 -1.26 -4.75 120.64 121.19 2cup n GLU 64 Ca 0.21 -2.43 -0.41 0.00 0.66 0.00 0.00 57.16 55.19 2cup n GLU 64 Cb 0.31 -1.95 -0.02 0.00 0.27 0.00 0.00 31.44 30.05 2cup n GLU 64 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2cup n ASP 65 N -0.54 5.32 -3.60 4.31 2.03 -1.26 -4.97 116.55 117.84 2cup n ASP 65 Ca 0.47 -3.19 -0.05 0.00 0.52 0.00 0.00 54.79 52.55 2cup n ASP 65 Cb 0.97 -1.22 -0.03 0.00 -0.72 0.00 0.00 41.12 40.12 2cup n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2cup s SER 66 N -0.11 -0.16 1.02 1.67 1.04 -1.26 -5.14 113.70 110.76 2cup s SER 66 Ca 0.31 0.09 -0.13 0.00 0.48 0.00 0.00 55.95 56.70 2cup s SER 66 Cb -0.04 0.15 0.20 0.00 0.10 0.00 0.00 66.02 66.43 2cup s SER 66 CO -0.04 -0.21 1.09 -2.16 0.98 0.00 0.00 173.24 172.91 2cup s PRO 67 N -1.76 0.25 0.20 4.02 0.04 -1.26 -4.90 135.00 131.59 2cup s PRO 67 Ca 0.07 0.46 0.05 0.00 0.04 0.00 0.00 61.00 61.62 2cup s PRO 67 Cb -0.01 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.76 2cup s PRO 67 CO -0.04 -2.84 -0.07 -1.59 0.04 0.00 0.00 177.00 172.50 2cup s LYS 68 N -4.98 1.24 0.34 4.56 -2.85 -1.26 -2.03 119.74 114.75 2cup s LYS 68 Ca 0.66 -1.58 0.07 0.00 -1.00 0.00 0.00 55.97 54.12 2cup s LYS 68 Cb -0.18 -0.74 -0.02 0.00 -2.06 0.00 0.00 37.83 34.83 2cup s LYS 68 CO 0.58 0.03 0.38 0.00 0.10 0.00 0.00 175.35 176.44 2cup n LYS 70 N -1.51 1.30 0.07 0.00 3.00 -1.26 -3.21 118.16 116.55 2cup n LYS 70 Ca -0.01 -0.05 -0.17 0.00 -0.00 0.00 0.00 58.31 58.08 2cup n LYS 70 Cb 0.59 -1.20 -0.09 0.00 0.00 0.00 0.00 35.03 34.33 2cup n LYS 70 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2cup h GLY 71 N 1.57 0.58 0.00 3.14 0.00 -1.93 -3.38 103.07 103.04 2cup h GLY 71 Ca -0.09 -1.11 -0.00 0.00 0.00 0.00 0.00 47.33 46.13 2cup h GLY 71 CO 0.01 0.98 -1.01 0.00 0.00 0.00 0.00 176.54 176.51 2cup n PHE 73 N -1.70 -0.99 -4.31 0.00 7.35 -1.20 -5.03 117.46 111.59 2cup n PHE 73 Ca -0.00 0.40 -0.23 0.00 -0.76 0.00 0.00 57.45 56.87 2cup n PHE 73 Cb 0.20 -3.18 -0.12 0.00 0.35 0.00 0.00 39.48 36.73 2cup n PHE 73 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2cup s LYS 74 N -4.78 1.20 0.04 -4.13 -0.14 -1.26 -4.81 119.74 105.86 2cup s LYS 74 Ca 0.05 -1.30 -0.30 0.00 -1.36 0.00 0.00 55.97 53.06 2cup s LYS 74 Cb -0.02 -1.34 -0.09 0.00 -1.68 0.00 0.00 37.83 34.70 2cup s LYS 74 CO 0.31 0.29 1.97 0.00 -0.76 0.00 0.00 175.35 177.15 2cup s ALA 75 N -1.68 3.59 0.13 5.17 0.00 -1.26 -2.26 121.76 125.45 2cup s ALA 75 Ca 0.12 1.34 -0.22 0.00 0.00 0.00 0.00 51.96 53.19 2cup s ALA 75 Cb -0.07 -3.84 -0.07 0.00 0.00 0.00 0.00 23.12 19.13 2cup s ALA 75 CO 0.05 -1.55 0.68 0.42 0.00 0.00 0.00 175.76 175.36 2cup s ILE 76 N 4.36 4.54 -0.04 0.00 1.01 -0.86 -4.97 121.20 125.25 2cup s ILE 76 Ca 0.88 1.45 -0.08 0.00 0.00 0.00 0.00 60.65 62.91 2cup s ILE 76 Cb -0.43 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 37.98 2cup s ILE 76 CO 0.41 0.51 0.25 -0.69 0.00 0.00 0.00 174.94 175.42 2cup s VAL 77 N -1.17 5.33 0.22 2.92 1.01 -1.26 -4.35 120.40 123.10 2cup s VAL 77 Ca 0.33 0.30 -0.08 0.00 0.00 0.00 0.00 61.98 62.54 2cup s VAL 77 Cb -0.21 -3.53 0.17 0.00 0.00 0.00 0.00 36.38 32.81 2cup s VAL 77 CO 0.23 0.49 1.84 0.00 0.00 0.00 0.00 175.10 177.67 2cup h ALA 78 N 4.47 1.02 -0.28 5.51 0.00 -1.96 -2.26 119.26 125.76 2cup h ALA 78 Ca -0.52 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.17 2cup h ALA 78 Cb 1.21 -0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.70 2cup h ALA 78 CO 0.62 0.22 0.23 0.41 0.00 0.00 0.00 179.25 180.73 2cup n GLY 79 N -1.31 3.48 2.94 0.00 0.00 -1.26 -4.81 105.19 104.23 2cup n GLY 79 Ca 0.10 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 2cup n GLY 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cup s ASP 80 N 0.94 -0.08 0.05 1.61 1.01 -0.85 -5.12 116.67 114.23 2cup s ASP 80 Ca 0.23 0.18 -0.35 0.00 0.71 0.00 0.00 52.55 53.32 2cup s ASP 80 Cb 0.16 0.16 -0.14 0.00 1.01 0.00 0.00 42.92 44.11 2cup s ASP 80 CO -0.01 -0.06 1.61 0.00 0.21 0.00 0.00 175.17 176.92 2cup n GLN 81 N 3.33 1.86 -4.15 8.23 6.02 -1.26 -4.83 117.38 126.58 2cup n GLN 81 Ca -0.16 0.68 -0.12 0.00 -0.01 0.00 0.00 57.00 57.39 2cup n GLN 81 Cb 0.57 -2.43 -0.09 0.00 1.02 0.00 0.00 30.24 29.32 2cup n GLN 81 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2cup s ASN 82 N 1.79 0.15 -0.10 1.08 2.20 -1.26 -2.72 114.94 116.07 2cup s ASN 82 Ca 0.85 -1.30 -0.03 0.00 -0.94 0.00 0.00 52.86 51.44 2cup s ASN 82 Cb -0.77 0.44 0.05 0.00 -2.00 0.00 0.00 41.25 38.96 2cup s ASN 82 CO 0.45 -0.92 0.11 -0.69 -2.94 0.00 0.00 177.10 173.11 2cup s VAL 83 N -4.09 -0.16 -0.10 3.54 1.01 0.48 -4.55 120.40 116.53 2cup s VAL 83 Ca 0.35 0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.51 2cup s VAL 83 Cb 0.05 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 2cup s VAL 83 CO 0.12 0.01 -0.01 -0.70 0.00 0.00 0.00 175.10 174.52 2cup s GLU 84 N 2.20 3.17 0.00 2.72 2.12 -1.26 0.23 118.70 127.88 2cup s GLU 84 Ca 0.04 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 54.94 2cup s GLU 84 Cb -0.13 -2.83 0.00 0.00 0.26 0.00 0.00 34.13 31.42 2cup s GLU 84 CO -0.06 0.58 0.00 0.98 -0.54 0.00 0.00 175.26 176.22 2cup n TYR 85 N 2.51 0.00 -3.69 5.30 9.36 -0.85 -4.98 117.16 124.81 2cup n TYR 85 Ca -0.18 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 60.68 2cup n TYR 85 Cb 0.53 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.16 2cup n TYR 85 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 2cup s LYS 86 N 0.00 2.88 0.00 2.98 -2.85 -1.26 -4.84 119.74 116.65 2cup s LYS 86 Ca 0.00 -2.91 0.00 0.00 -1.00 0.00 0.00 55.97 52.06 2cup s LYS 86 Cb 0.00 -3.82 0.00 0.00 -2.06 0.00 0.00 37.83 31.95 2cup s LYS 86 CO 0.00 -1.22 0.00 0.41 0.10 0.00 0.00 175.35 174.64 2cup n GLY 87 N 2.90 0.94 3.89 0.59 0.00 -1.26 -4.88 105.19 107.37 2cup n GLY 87 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2cup n GLY 87 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cup s THR 88 N 0.00 4.93 -0.10 2.61 2.01 -1.26 -5.06 115.64 118.77 2cup s THR 88 Ca 0.00 0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.32 2cup s THR 88 Cb 0.00 -3.70 0.02 0.00 0.01 0.00 0.00 72.50 68.83 2cup s THR 88 CO 0.00 -0.31 -0.09 0.54 -0.69 0.00 0.00 174.62 174.07 2cup s VAL 89 N -2.10 1.04 0.17 3.82 0.11 -1.26 -2.00 120.40 120.18 2cup s VAL 89 Ca 0.47 -0.33 -0.05 0.00 -2.93 0.00 0.00 61.98 59.14 2cup s VAL 89 Cb -0.11 -1.03 -0.06 0.00 -1.53 0.00 0.00 36.38 33.66 2cup s VAL 89 CO 0.28 0.36 0.41 0.26 -3.33 0.00 0.00 175.10 173.08 2cup s TRP 90 N 1.43 3.47 0.34 1.54 0.52 0.64 -4.17 118.94 122.70 2cup s TRP 90 Ca -0.00 0.59 -0.29 0.00 0.02 0.00 0.00 56.10 56.42 2cup s TRP 90 Cb -0.13 -2.03 -0.11 0.00 -1.15 0.00 0.00 33.47 30.05 2cup s TRP 90 CO -0.05 0.39 1.38 -1.01 0.02 0.00 0.00 176.95 177.68 2cup s HIS 91 N -1.72 2.88 0.47 -1.98 3.76 -1.26 0.18 115.29 117.63 2cup s HIS 91 Ca 0.42 1.30 0.41 0.00 -0.15 0.00 0.00 55.06 57.04 2cup s HIS 91 Cb -0.12 -3.81 1.51 0.00 1.11 0.00 0.00 32.58 31.27 2cup s HIS 91 CO 0.25 -2.31 1.42 1.17 -0.85 0.00 0.00 174.74 174.42 2cup n LYS 92 N 0.79 -0.01 0.01 1.40 3.00 -1.10 0.15 118.16 122.39 2cup n LYS 92 Ca 0.01 1.04 -0.21 0.00 -0.00 0.00 0.00 58.31 59.15 2cup n LYS 92 Cb 0.41 -2.27 -0.14 0.00 0.00 0.00 0.00 35.03 33.02 2cup n LYS 92 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2cup h ASP 93 N 0.00 0.37 -1.00 3.14 3.32 -1.88 -3.35 116.42 117.02 2cup h ASP 93 Ca 0.84 -0.87 0.02 0.00 0.02 0.00 0.00 57.03 57.04 2cup h ASP 93 Cb 3.18 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 42.56 2cup h ASP 93 CO -0.14 1.51 0.66 0.00 -1.72 0.00 0.00 179.24 179.55 2cup s PHE 95 N -6.09 3.00 -0.17 0.00 2.19 0.58 -4.91 117.98 112.59 2cup s PHE 95 Ca -0.13 0.97 -0.05 0.00 0.33 0.00 0.00 56.93 58.06 2cup s PHE 95 Cb 0.18 -4.01 0.08 0.00 -1.31 0.00 0.00 43.02 37.97 2cup s PHE 95 CO 0.82 -0.99 0.30 0.45 1.83 0.00 0.00 175.22 177.64 2cup s SER 96 N 2.01 0.36 0.02 6.13 0.15 -1.26 -4.86 113.70 116.24 2cup s SER 96 Ca 0.46 0.51 -0.25 0.00 0.70 0.00 0.00 55.95 57.37 2cup s SER 96 Cb -0.10 0.85 -0.18 0.00 -1.71 0.00 0.00 66.02 64.87 2cup s SER 96 CO 0.23 -0.26 1.41 1.23 1.20 0.00 0.00 173.24 177.05 2cup h GLY 97 N 8.25 -0.05 0.17 9.45 0.00 -1.95 -2.83 103.07 116.12 2cup h GLY 97 Ca -0.16 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2cup h GLY 97 CO 0.17 -0.02 0.00 -1.55 0.00 0.00 0.00 176.54 175.14 2cup n PRO 98 N -4.96 0.49 -3.42 4.80 -0.04 -1.26 -4.75 135.00 125.86 2cup n PRO 98 Ca -0.08 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.19 2cup n PRO 98 Cb 0.18 -1.09 -0.00 0.00 -0.04 0.00 0.00 33.50 32.55 2cup n PRO 98 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cup s SER 99 N -1.60 5.95 0.20 3.54 0.15 -1.07 -5.03 113.70 115.84 2cup s SER 99 Ca 0.04 -0.18 -0.20 0.00 0.70 0.00 0.00 55.95 56.32 2cup s SER 99 Cb 0.02 -1.21 -0.13 0.00 -1.71 0.00 0.00 66.02 62.99 2cup s SER 99 CO 0.03 -0.47 0.30 -1.20 1.20 0.00 0.00 173.24 173.10 2cup n SER 100 N -1.68 -1.30 0.00 5.45 7.64 -1.26 -5.01 113.62 117.46 2cup n SER 100 Ca 0.00 0.79 0.00 0.00 1.01 0.00 0.00 58.87 60.67 2cup n SER 100 Cb 0.58 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 2cup n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64