#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cup s SER 2 N 0.00 5.35 -0.99 1.61 0.01 -1.26 -4.91 113.70 113.52 2cup s SER 2 Ca 0.00 -0.01 -0.10 0.00 1.31 0.00 0.00 55.95 57.14 2cup s SER 2 Cb 0.00 -2.54 0.25 0.00 0.21 0.00 0.00 66.02 63.94 2cup s SER 2 CO 0.00 -2.39 0.95 -0.55 0.41 0.00 0.00 173.24 171.66 2cup s SER 3 N 7.63 6.98 0.48 2.44 0.15 -1.26 -5.03 113.70 125.10 2cup s SER 3 Ca 0.64 -3.27 0.05 0.00 0.70 0.00 0.00 55.95 54.08 2cup s SER 3 Cb -0.10 -2.18 -0.01 0.00 -1.71 0.00 0.00 66.02 62.01 2cup s SER 3 CO 0.14 -0.38 0.23 -0.83 1.20 0.00 0.00 173.24 173.60 2cup s GLY 4 N 1.50 2.50 -0.05 9.45 0.00 -1.26 -5.07 107.32 114.38 2cup s GLY 4 Ca 0.26 -1.43 -0.22 0.00 0.00 0.00 0.00 44.72 43.33 2cup s GLY 4 CO -0.08 -1.98 0.89 0.23 0.00 0.00 0.00 173.10 172.16 2cup h SER 5 N 1.16 -0.15 0.00 1.64 0.87 -1.95 -3.44 113.55 111.68 2cup h SER 5 Ca -0.41 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 59.75 2cup h SER 5 Cb 1.28 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 2cup h SER 5 CO 0.66 0.43 -0.88 -1.54 -0.53 0.00 0.00 176.83 174.97 2cup n SER 6 N -4.89 0.52 -1.25 6.23 3.41 -1.26 -5.15 113.62 111.22 2cup n SER 6 Ca -0.08 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.69 2cup n SER 6 Cb 0.27 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.15 2cup n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cup n GLY 7 N 2.89 -2.90 3.80 5.00 0.00 -1.26 -4.81 105.19 107.90 2cup n GLY 7 Ca 0.00 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 2cup n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cup n VAL 9 N 0.98 0.00 -0.09 0.00 0.24 -1.14 -2.54 118.33 115.78 2cup n VAL 9 Ca -0.12 -0.10 -0.12 0.00 -2.04 0.00 0.00 64.34 61.96 2cup n VAL 9 Cb 0.52 0.76 -0.06 0.00 -1.47 0.00 0.00 33.84 33.60 2cup n VAL 9 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2cup n GLU 10 N -0.92 0.50 -0.58 7.34 -0.58 -1.26 -4.45 120.64 120.69 2cup n GLU 10 Ca 0.08 0.51 0.09 0.00 -0.42 0.00 0.00 57.16 57.41 2cup n GLU 10 Cb 0.37 -1.68 0.33 0.00 -0.57 0.00 0.00 31.44 29.89 2cup n GLU 10 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2cup n ARG 12 N 0.73 -0.90 -4.37 0.00 3.00 -1.05 -4.88 116.66 109.18 2cup n ARG 12 Ca 0.24 0.11 -0.25 0.00 -0.01 0.00 0.00 57.85 57.94 2cup n ARG 12 Cb 0.89 -3.96 -0.09 0.00 0.00 0.00 0.00 32.46 29.30 2cup n ARG 12 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2cup s LYS 13 N -6.11 1.94 0.37 5.56 1.02 -1.24 -4.84 119.74 116.44 2cup s LYS 13 Ca 0.65 -1.52 -0.27 0.00 0.02 0.00 0.00 55.97 54.86 2cup s LYS 13 Cb -0.38 -1.99 -0.09 0.00 -0.52 0.00 0.00 37.83 34.85 2cup s LYS 13 CO 0.80 0.37 1.20 -1.25 -0.92 0.00 0.00 175.35 175.56 2cup s PRO 14 N -3.32 4.20 -0.09 -1.68 0.04 -1.26 0.41 135.00 133.30 2cup s PRO 14 Ca 0.28 1.95 -0.03 0.00 0.04 0.00 0.00 61.00 63.24 2cup s PRO 14 Cb -0.07 -2.85 -0.03 0.00 0.04 0.00 0.00 34.50 31.59 2cup s PRO 14 CO 0.16 -0.23 0.02 0.42 0.04 0.00 0.00 177.00 177.41 2cup s ILE 15 N -1.30 4.49 0.40 0.56 1.01 -1.26 -4.82 121.20 120.28 2cup s ILE 15 Ca 0.53 -0.18 0.04 0.00 0.00 0.00 0.00 60.65 61.04 2cup s ILE 15 Cb -0.34 -2.90 -0.00 0.00 0.01 0.00 0.00 42.46 39.23 2cup s ILE 15 CO 0.43 0.61 0.58 -0.83 0.00 0.00 0.00 174.94 175.73 2cup s GLY 16 N -0.88 1.61 -0.01 6.18 0.00 -1.26 -4.77 107.32 108.19 2cup s GLY 16 Ca 0.13 -1.28 -0.26 0.00 0.00 0.00 0.00 44.72 43.31 2cup s GLY 16 CO 0.02 -1.15 1.32 0.00 0.00 0.00 0.00 173.10 173.30 2cup h ALA 17 N 0.61 0.00 -0.31 3.20 0.00 -2.03 -3.14 119.26 117.61 2cup h ALA 17 Ca -0.45 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 2cup h ALA 17 Cb 1.26 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2cup h ALA 17 CO 0.54 -0.27 0.07 -0.44 0.00 0.00 0.00 179.25 179.15 2cup h ASP 18 N -0.43 0.40 -2.71 0.00 5.19 -2.05 -3.42 116.42 113.40 2cup h ASP 18 Ca 0.00 -0.05 -0.54 0.00 -0.62 0.00 0.00 57.03 55.82 2cup h ASP 18 Cb 0.44 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.85 2cup h ASP 18 CO 0.00 0.42 0.99 -0.44 -3.12 0.00 0.00 179.24 177.09 2cup s SER 19 N -6.77 6.69 -0.37 6.45 0.01 -1.19 -4.90 113.70 113.63 2cup s SER 19 Ca -0.07 2.29 -0.27 0.00 1.31 0.00 0.00 55.95 59.21 2cup s SER 19 Cb 0.16 -2.55 -0.06 0.00 0.21 0.00 0.00 66.02 63.79 2cup s SER 19 CO 0.74 -0.86 2.26 -0.54 0.41 0.00 0.00 173.24 175.25 2cup s LYS 20 N 3.14 2.64 0.28 12.44 -0.14 -1.26 -4.70 119.74 132.14 2cup s LYS 20 Ca 0.71 1.63 0.08 0.00 -1.36 0.00 0.00 55.97 57.04 2cup s LYS 20 Cb -0.35 -4.46 -0.04 0.00 -1.68 0.00 0.00 37.83 31.30 2cup s LYS 20 CO 0.30 -2.67 0.14 -1.83 -0.76 0.00 0.00 175.35 170.53 2cup s GLU 21 N 7.23 2.61 -0.29 1.68 -1.05 -1.26 -1.40 118.70 126.22 2cup s GLU 21 Ca 0.96 -1.29 0.02 0.00 -0.15 0.00 0.00 54.97 54.51 2cup s GLU 21 Cb -0.24 -2.36 0.08 0.00 -0.44 0.00 0.00 34.13 31.17 2cup s GLU 21 CO 0.30 0.29 0.00 0.08 0.95 0.00 0.00 175.26 176.89 2cup s VAL 22 N -2.27 1.71 -0.43 1.83 1.01 -0.10 -4.95 120.40 117.19 2cup s VAL 22 Ca 0.34 -1.66 -0.22 0.00 0.00 0.00 0.00 61.98 60.44 2cup s VAL 22 Cb -0.06 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.23 2cup s VAL 22 CO 0.23 -0.36 0.75 -2.28 0.00 0.00 0.00 175.10 173.44 2cup s HIS 23 N 1.25 3.03 -0.07 5.22 5.04 -1.26 -1.89 115.29 126.60 2cup s HIS 23 Ca 0.02 0.18 -0.17 0.00 -1.54 0.00 0.00 55.06 53.55 2cup s HIS 23 Cb -0.19 -3.54 0.04 0.00 0.04 0.00 0.00 32.58 28.93 2cup s HIS 23 CO -0.10 -0.91 0.40 -0.47 -2.34 0.00 0.00 174.74 171.32 2cup s TYR 24 N 3.14 -0.35 -1.30 3.88 5.04 -0.35 -4.94 117.35 122.47 2cup s TYR 24 Ca 0.28 0.71 -0.08 0.00 -2.44 0.00 0.00 57.07 55.54 2cup s TYR 24 Cb -0.13 0.16 -0.00 0.00 0.35 0.00 0.00 41.96 42.34 2cup s TYR 24 CO 0.21 -0.35 0.58 1.63 -1.34 0.00 0.00 175.55 176.28 2cup n LYS 25 N 1.84 -2.64 -2.09 4.97 5.02 -1.26 0.12 118.16 124.12 2cup n LYS 25 Ca -0.18 0.43 -0.09 0.00 -2.02 0.00 0.00 58.31 56.45 2cup n LYS 25 Cb 0.57 -4.39 -0.02 0.00 -0.02 0.00 0.00 35.03 31.17 2cup n LYS 25 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2cup n ASN 26 N -2.86 -2.94 -4.11 4.39 6.94 -1.26 -4.89 115.26 110.53 2cup n ASN 26 Ca -0.23 0.26 -0.25 0.00 -0.02 0.00 0.00 54.58 54.34 2cup n ASN 26 Cb 0.65 -2.64 -0.08 0.00 -2.36 0.00 0.00 39.78 35.35 2cup n ASN 26 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2cup s ARG 27 N -4.32 1.88 -0.16 -3.83 1.81 0.12 -5.16 118.95 109.28 2cup s ARG 27 Ca 0.00 -2.13 -0.09 0.00 -1.72 0.00 0.00 55.73 51.79 2cup s ARG 27 Cb 0.00 -0.56 0.05 0.00 -0.45 0.00 0.00 34.95 33.99 2cup s ARG 27 CO 0.00 -0.46 0.38 -0.06 -0.68 0.00 0.00 175.30 174.48 2cup s PHE 28 N -3.25 -0.54 0.05 -0.53 0.40 -1.26 -1.22 117.98 111.63 2cup s PHE 28 Ca 0.26 1.17 0.07 0.00 -0.60 0.00 0.00 56.93 57.84 2cup s PHE 28 Cb 0.03 0.22 -0.03 0.00 0.51 0.00 0.00 43.02 43.75 2cup s PHE 28 CO 0.15 -0.31 -0.20 -1.58 0.70 0.00 0.00 175.22 173.98 2cup s TRP 29 N 1.25 1.76 1.06 0.36 0.51 -0.79 -2.86 118.94 120.22 2cup s TRP 29 Ca -0.08 -0.38 -0.13 0.00 -2.12 0.00 0.00 56.10 53.39 2cup s TRP 29 Cb -0.08 -1.04 0.23 0.00 -0.81 0.00 0.00 33.47 31.76 2cup s TRP 29 CO -0.11 0.10 1.07 -1.01 -0.51 0.00 0.00 176.95 176.49 2cup s HIS 30 N -0.84 1.83 -1.52 -1.98 3.76 -1.26 -0.93 115.29 114.36 2cup s HIS 30 Ca 0.07 1.04 0.14 0.00 -0.15 0.00 0.00 55.06 56.16 2cup s HIS 30 Cb -0.09 -3.21 0.74 0.00 1.11 0.00 0.00 32.58 31.14 2cup s HIS 30 CO 0.02 -3.26 1.37 -0.40 -0.85 0.00 0.00 174.74 171.62 2cup n ASP 31 N -4.45 0.00 0.00 1.40 5.75 -0.49 -1.83 116.55 116.93 2cup n ASP 31 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.82 2cup n ASP 31 Cb 0.56 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 2cup n ASP 31 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 2cup n THR 32 N -1.24 0.00 -0.04 2.12 5.66 -1.26 -4.70 114.28 114.81 2cup n THR 32 Ca 0.07 -0.39 -0.07 0.00 -3.05 0.00 0.00 64.05 60.61 2cup n THR 32 Cb 0.10 0.97 -0.14 0.00 -1.55 0.00 0.00 70.33 69.72 2cup n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2cup s PHE 34 N -2.63 2.65 0.27 0.00 5.36 -0.76 -4.85 117.98 118.02 2cup s PHE 34 Ca -0.06 0.54 -0.08 0.00 -0.96 0.00 0.00 56.93 56.36 2cup s PHE 34 Cb 0.08 -4.48 0.03 0.00 -0.34 0.00 0.00 43.02 38.31 2cup s PHE 34 CO 0.83 -1.53 0.50 2.89 -1.46 0.00 0.00 175.22 176.46 2cup n ARG 35 N 8.23 0.72 -2.70 10.12 -4.01 -1.26 -3.42 116.66 124.35 2cup n ARG 35 Ca 0.10 -1.71 -0.42 0.00 -1.04 0.00 0.00 57.85 54.79 2cup n ARG 35 Cb 0.49 1.97 -0.03 0.00 -3.04 0.00 0.00 32.46 31.85 2cup n ARG 35 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2cup n ALA 37 N 4.02 2.49 0.00 0.00 0.00 -0.67 0.47 120.51 126.82 2cup n ALA 37 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2cup n ALA 37 Cb 0.51 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2cup n ALA 37 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2cup n LYS 38 N -0.30 0.00 0.00 0.00 5.02 -1.26 -4.80 118.16 116.81 2cup n LYS 38 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 2cup n LYS 38 Cb 0.10 -0.76 0.01 0.00 -0.02 0.00 0.00 35.03 34.36 2cup n LYS 38 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cup n LEU 40 N 0.04 -3.96 -4.24 0.00 7.99 0.18 -4.93 117.00 112.06 2cup n LEU 40 Ca 0.03 -0.76 -0.30 0.00 -0.01 0.00 0.00 56.01 54.97 2cup n LEU 40 Cb 0.15 -2.91 -0.16 0.00 -0.11 0.00 0.00 43.42 40.39 2cup n LEU 40 CO 0.06 0.33 -0.55 -2.28 -1.51 0.00 0.00 177.39 173.44 2cup s HIS 41 N -3.49 2.30 -0.04 -1.77 2.46 -1.23 -4.73 115.29 108.79 2cup s HIS 41 Ca 0.16 -0.69 -0.30 0.00 0.47 0.00 0.00 55.06 54.71 2cup s HIS 41 Cb -0.03 -1.52 -0.05 0.00 -0.13 0.00 0.00 32.58 30.85 2cup s HIS 41 CO 0.78 -0.21 1.48 -1.25 -2.47 0.00 0.00 174.74 173.06 2cup s PRO 42 N -0.12 4.23 -0.21 2.88 0.04 -1.26 0.11 135.00 140.68 2cup s PRO 42 Ca -0.04 2.01 0.13 0.00 0.04 0.00 0.00 61.00 63.14 2cup s PRO 42 Cb -0.13 -3.74 0.74 0.00 0.04 0.00 0.00 34.50 31.40 2cup s PRO 42 CO 0.03 -0.70 1.62 1.28 0.04 0.00 0.00 177.00 179.28 2cup n LEU 43 N 6.16 5.24 -0.34 -3.56 7.99 -1.22 -4.49 117.00 126.79 2cup n LEU 43 Ca 0.15 -2.66 0.10 0.00 -0.01 0.00 0.00 56.01 53.59 2cup n LEU 43 Cb 0.43 -0.67 0.30 0.00 -0.11 0.00 0.00 43.42 43.38 2cup n LEU 43 CO 0.60 0.60 1.22 0.00 -1.51 0.00 0.00 177.39 178.29 2cup h ALA 44 N 3.82 1.65 -0.00 -1.18 0.00 -1.91 -2.56 119.26 119.08 2cup h ALA 44 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2cup h ALA 44 Cb 1.82 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2cup h ALA 44 CO 0.44 0.07 -0.07 0.09 0.00 0.00 0.00 179.25 179.78 2cup n ASN 45 N -4.64 1.01 -4.51 0.00 4.13 -1.26 -5.01 115.26 104.98 2cup n ASN 45 Ca 0.20 -1.01 -0.30 0.00 1.68 0.00 0.00 54.58 55.15 2cup n ASN 45 Cb 0.45 0.34 -0.11 0.00 -1.54 0.00 0.00 39.78 38.91 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 -0.76 1.89 0.84 3.52 2.56 -0.96 -5.10 118.70 120.68 2cup s GLU 46 Ca 0.05 -1.12 -0.16 0.00 0.00 0.00 0.00 54.97 53.73 2cup s GLU 46 Cb 0.04 -2.16 -0.07 0.00 2.00 0.00 0.00 34.13 33.93 2cup s GLU 46 CO 0.10 0.49 -0.05 0.25 -0.56 0.00 0.00 175.26 175.49 2cup n THR 47 N 0.86 0.47 -3.78 -1.70 -2.24 -1.26 -4.53 114.28 102.10 2cup n THR 47 Ca -0.15 -0.40 -0.13 0.00 -2.27 0.00 0.00 64.05 61.10 2cup n THR 47 Cb 0.53 -0.35 -0.09 0.00 -2.10 0.00 0.00 70.33 68.31 2cup n THR 47 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2cup s PHE 48 N -2.07 -0.18 0.07 4.78 -0.12 -1.26 -4.47 117.98 114.72 2cup s PHE 48 Ca 0.53 0.33 0.05 0.00 -0.05 0.00 0.00 56.93 57.79 2cup s PHE 48 Cb -0.28 0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.16 2cup s PHE 48 CO 0.70 -0.32 -0.14 0.08 -0.05 0.00 0.00 175.22 175.49 2cup s VAL 49 N -1.00 1.09 -0.18 -2.49 1.01 0.60 -4.96 120.40 114.47 2cup s VAL 49 Ca -0.11 -1.30 0.01 0.00 0.00 0.00 0.00 61.98 60.58 2cup s VAL 49 Cb -0.05 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.30 2cup s VAL 49 CO 0.03 -0.23 -0.19 0.00 0.00 0.00 0.00 175.10 174.70 2cup s ALA 50 N -1.29 2.27 -0.01 5.51 0.00 -1.26 -0.38 121.76 126.60 2cup s ALA 50 Ca -0.02 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.77 2cup s ALA 50 Cb -0.10 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.86 2cup s ALA 50 CO 0.02 -0.34 -0.04 0.15 0.00 0.00 0.00 175.76 175.55 2cup s LYS 51 N 1.30 0.40 -1.47 0.00 3.01 -0.18 -4.82 119.74 117.98 2cup s LYS 51 Ca 0.05 -0.13 -0.14 0.00 -1.01 0.00 0.00 55.97 54.74 2cup s LYS 51 Cb -0.13 -0.41 0.11 0.00 -1.01 0.00 0.00 37.83 36.38 2cup s LYS 51 CO -0.12 0.06 0.68 -0.25 0.51 0.00 0.00 175.35 176.23 2cup n ASP 52 N 3.18 -3.76 -2.51 2.83 9.92 -1.26 0.43 116.55 125.39 2cup n ASP 52 Ca -0.15 -0.67 -0.19 0.00 -0.53 0.00 0.00 54.79 53.25 2cup n ASP 52 Cb 0.57 -3.07 0.03 0.00 -0.64 0.00 0.00 41.12 38.00 2cup n ASP 52 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2cup n ASN 53 N -2.50 -5.39 -3.92 -2.24 4.13 -1.26 -5.00 115.26 99.07 2cup n ASN 53 Ca 0.03 -0.22 -0.18 0.00 1.68 0.00 0.00 54.58 55.89 2cup n ASN 53 Cb 0.52 -4.25 -0.16 0.00 -1.54 0.00 0.00 39.78 34.35 2cup n ASN 53 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2cup s LYS 54 N -5.45 0.68 0.09 3.52 1.02 0.17 -5.13 119.74 114.63 2cup s LYS 54 Ca 0.23 -0.14 -0.28 0.00 0.02 0.00 0.00 55.97 55.80 2cup s LYS 54 Cb -0.10 -0.68 -0.06 0.00 -0.52 0.00 0.00 37.83 36.47 2cup s LYS 54 CO 0.28 0.00 0.87 0.42 -0.92 0.00 0.00 175.35 176.00 2cup s ILE 55 N 0.51 4.58 0.27 2.17 -1.09 -1.26 -1.01 121.20 125.38 2cup s ILE 55 Ca -0.06 1.87 -0.06 0.00 -2.23 0.00 0.00 60.65 60.16 2cup s ILE 55 Cb -0.10 -4.23 -0.01 0.00 -1.58 0.00 0.00 42.46 36.54 2cup s ILE 55 CO -0.00 0.35 0.40 -0.76 -1.23 0.00 0.00 174.94 173.70 2cup s LEU 56 N -0.10 0.76 0.37 2.97 1.43 0.49 -1.67 118.68 122.93 2cup s LEU 56 Ca 0.43 -1.23 0.08 0.00 -1.03 0.00 0.00 54.13 52.37 2cup s LEU 56 Cb -0.22 1.35 -0.04 0.00 0.03 0.00 0.00 46.19 47.32 2cup s LEU 56 CO 0.27 -1.13 0.23 0.00 0.23 0.00 0.00 176.35 175.94 2cup h ASN 58 N 1.35 0.54 -0.21 0.00 -0.73 -1.93 0.22 115.58 114.82 2cup h ASN 58 Ca -0.43 -0.24 0.06 0.00 1.87 0.00 0.00 56.30 57.56 2cup h ASN 58 Cb 1.26 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 39.69 2cup h ASN 58 CO 0.63 0.64 0.30 0.11 -0.37 0.00 0.00 177.43 178.73 2cup h LYS 59 N 0.42 0.00 0.01 6.67 1.79 -1.96 -1.99 116.57 121.51 2cup h LYS 59 Ca 0.11 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.22 2cup h LYS 59 Cb 0.31 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.91 2cup h LYS 59 CO 0.00 0.00 -2.01 0.00 -1.08 0.00 0.00 179.45 176.36 2cup h THR 61 N -0.86 0.33 -0.33 0.00 1.35 -0.11 0.12 112.91 113.41 2cup h THR 61 Ca -0.54 -0.07 -0.00 0.00 -0.55 0.00 0.00 66.41 65.24 2cup h THR 61 Cb 1.54 0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 68.04 2cup h THR 61 CO -0.29 0.04 0.19 0.00 -0.25 0.00 0.00 175.52 175.21 2cup h THR 62 N 0.21 1.12 -3.58 6.82 1.03 -1.58 -3.35 112.91 113.58 2cup h THR 62 Ca 0.54 -0.28 -0.71 0.00 -0.01 0.00 0.00 66.41 65.95 2cup h THR 62 Cb 1.08 0.71 -0.34 0.00 -1.07 0.00 0.00 68.15 68.53 2cup h THR 62 CO -0.65 0.12 -0.30 -0.60 -0.01 0.00 0.00 175.52 174.08 2cup s ARG 63 N -5.98 2.70 -0.22 0.00 3.00 0.42 -4.88 118.95 113.99 2cup s ARG 63 Ca -0.13 -2.52 -0.16 0.00 -1.00 0.00 0.00 55.73 51.93 2cup s ARG 63 Cb 0.10 -3.82 -0.18 0.00 0.00 0.00 0.00 34.95 31.05 2cup s ARG 63 CO 0.72 -1.19 0.02 0.39 0.00 0.00 0.00 175.30 175.24 2cup n GLU 64 N 3.56 0.60 -3.20 5.12 1.02 -1.17 -4.74 120.64 121.83 2cup n GLU 64 Ca 0.08 0.41 -0.21 0.00 -0.02 0.00 0.00 57.16 57.42 2cup n GLU 64 Cb 0.39 -1.65 -0.00 0.00 -0.02 0.00 0.00 31.44 30.16 2cup n GLU 64 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2cup n ASP 65 N -4.17 -3.74 -4.78 1.62 2.03 -1.26 -4.94 116.55 101.31 2cup n ASP 65 Ca -0.40 -0.28 -0.33 0.00 0.52 0.00 0.00 54.79 54.30 2cup n ASP 65 Cb 0.81 -3.11 -0.07 0.00 -0.72 0.00 0.00 41.12 38.04 2cup n ASP 65 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2cup s SER 66 N -2.60 5.68 1.10 1.67 0.15 -1.26 -5.11 113.70 113.32 2cup s SER 66 Ca 0.33 0.15 -0.15 0.00 0.70 0.00 0.00 55.95 56.97 2cup s SER 66 Cb -0.17 -1.63 0.24 0.00 -1.71 0.00 0.00 66.02 62.74 2cup s SER 66 CO 0.40 0.27 1.10 -2.16 1.20 0.00 0.00 173.24 174.06 2cup s PRO 67 N -1.72 -0.37 0.19 5.44 0.04 -1.26 -4.86 135.00 132.45 2cup s PRO 67 Ca 0.23 0.24 0.11 0.00 0.04 0.00 0.00 61.00 61.62 2cup s PRO 67 Cb -0.12 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 2cup s PRO 67 CO 0.14 -3.21 -0.23 0.15 0.04 0.00 0.00 177.00 173.89 2cup s LYS 68 N -5.16 1.47 0.40 4.56 -0.14 -1.26 -2.31 119.74 117.29 2cup s LYS 68 Ca 0.68 -1.50 0.04 0.00 -1.36 0.00 0.00 55.97 53.83 2cup s LYS 68 Cb -0.15 -1.75 -0.00 0.00 -1.68 0.00 0.00 37.83 34.25 2cup s LYS 68 CO 0.57 0.38 0.57 0.00 -0.76 0.00 0.00 175.35 176.11 2cup n LYS 70 N -1.87 0.92 -0.02 0.00 0.00 -1.26 -3.30 118.16 112.63 2cup n LYS 70 Ca 0.02 -0.04 -0.18 0.00 0.00 0.00 0.00 58.31 58.11 2cup n LYS 70 Cb 0.58 -1.15 -0.07 0.00 0.00 0.00 0.00 35.03 34.39 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 1.16 0.88 0.00 3.14 0.00 -1.94 -3.38 103.07 102.93 2cup h GLY 71 Ca -0.04 -1.26 0.00 0.00 0.00 0.00 0.00 47.33 46.03 2cup h GLY 71 CO 0.00 1.12 -0.30 0.00 0.00 0.00 0.00 176.54 177.36 2cup n PHE 73 N -0.93 -1.89 -4.18 0.00 3.72 -1.21 -5.03 117.46 107.94 2cup n PHE 73 Ca 0.00 0.74 -0.17 0.00 -0.05 0.00 0.00 57.45 57.97 2cup n PHE 73 Cb 0.00 -4.19 -0.11 0.00 -0.94 0.00 0.00 39.48 34.23 2cup n PHE 73 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2cup s LYS 74 N -4.65 0.85 -0.10 -1.08 -0.14 -1.26 -4.84 119.74 108.53 2cup s LYS 74 Ca 0.18 -1.05 -0.31 0.00 -1.36 0.00 0.00 55.97 53.43 2cup s LYS 74 Cb -0.02 -0.75 -0.09 0.00 -1.68 0.00 0.00 37.83 35.29 2cup s LYS 74 CO 0.60 0.15 2.05 0.00 -0.76 0.00 0.00 175.35 177.39 2cup n ALA 75 N 0.97 1.44 -1.98 5.17 0.00 -1.26 -2.55 120.51 122.30 2cup n ALA 75 Ca -0.19 0.07 -0.40 0.00 0.00 0.00 0.00 53.44 52.92 2cup n ALA 75 Cb 0.56 -2.70 -0.06 0.00 0.00 0.00 0.00 19.45 17.25 2cup n ALA 75 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2cup s ILE 76 N 5.75 4.31 -0.05 0.00 1.01 -0.98 -4.98 121.20 126.26 2cup s ILE 76 Ca 0.95 1.90 -0.05 0.00 0.00 0.00 0.00 60.65 63.45 2cup s ILE 76 Cb -0.50 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 37.69 2cup s ILE 76 CO 0.43 0.47 0.18 -0.69 0.00 0.00 0.00 174.94 175.33 2cup s VAL 77 N -0.87 5.44 0.00 2.92 1.01 -1.26 -4.40 120.40 123.24 2cup s VAL 77 Ca 0.40 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.44 2cup s VAL 77 Cb -0.24 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2cup s VAL 77 CO 0.29 0.46 0.76 0.00 0.00 0.00 0.00 175.10 176.61 2cup n ALA 78 N 1.41 -0.16 -0.33 5.51 0.00 -1.26 -2.08 120.51 123.60 2cup n ALA 78 Ca -0.15 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.60 2cup n ALA 78 Cb 0.54 0.15 0.55 0.00 0.00 0.00 0.00 19.45 20.69 2cup n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cup n GLY 79 N -0.86 -0.69 3.76 0.00 0.00 -1.26 -4.40 105.19 101.75 2cup n GLY 79 Ca 0.00 0.70 -0.39 0.00 0.00 0.00 0.00 46.02 46.33 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 -4.48 5.94 0.05 1.61 1.11 -0.88 -4.96 116.67 115.05 2cup s ASP 80 Ca -0.07 2.76 -0.30 0.00 0.18 0.00 0.00 52.55 55.11 2cup s ASP 80 Cb 0.29 -2.64 -0.04 0.00 1.07 0.00 0.00 42.92 41.59 2cup s ASP 80 CO 0.70 -1.11 1.05 0.00 1.18 0.00 0.00 175.17 176.99 2cup s GLN 81 N -2.47 4.54 0.15 8.23 -2.07 -1.26 -4.82 119.66 121.95 2cup s GLN 81 Ca 0.62 1.55 -0.01 0.00 -1.82 0.00 0.00 55.36 55.70 2cup s GLN 81 Cb -0.40 -3.40 -0.04 0.00 -1.09 0.00 0.00 33.01 28.08 2cup s GLN 81 CO 0.51 -0.07 0.07 -0.80 -1.32 0.00 0.00 175.29 173.68 2cup s ASN 82 N 0.82 0.31 -0.26 12.60 0.01 -1.26 -2.05 114.94 125.11 2cup s ASN 82 Ca 0.53 -1.25 0.02 0.00 -0.71 0.00 0.00 52.86 51.45 2cup s ASN 82 Cb -0.25 0.31 0.07 0.00 0.41 0.00 0.00 41.25 41.79 2cup s ASN 82 CO 0.29 -0.75 -0.06 -0.69 -1.51 0.00 0.00 177.10 174.39 2cup s VAL 83 N -4.06 1.81 -0.21 1.60 1.01 0.14 -4.64 120.40 116.05 2cup s VAL 83 Ca 0.27 -1.50 -0.20 0.00 0.00 0.00 0.00 61.98 60.56 2cup s VAL 83 Cb 0.07 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2cup s VAL 83 CO 0.04 -0.15 0.59 -0.70 0.00 0.00 0.00 175.10 174.88 2cup s GLU 84 N 1.25 4.17 -0.11 2.72 2.12 -1.26 0.11 118.70 127.70 2cup s GLU 84 Ca -0.05 0.52 -0.05 0.00 0.36 0.00 0.00 54.97 55.76 2cup s GLU 84 Cb -0.19 -3.59 0.05 0.00 0.26 0.00 0.00 34.13 30.66 2cup s GLU 84 CO -0.07 -0.26 0.24 -0.47 -0.54 0.00 0.00 175.26 174.17 2cup s TYR 85 N 1.98 -0.34 -1.50 5.30 5.04 0.53 -4.89 117.35 123.46 2cup s TYR 85 Ca 0.26 0.82 -0.11 0.00 -2.44 0.00 0.00 57.07 55.60 2cup s TYR 85 Cb -0.16 0.01 0.07 0.00 0.35 0.00 0.00 41.96 42.23 2cup s TYR 85 CO 0.10 -0.27 0.90 1.63 -1.34 0.00 0.00 175.55 176.57 2cup n LYS 86 N 4.58 -5.17 0.00 4.97 5.02 -1.26 -1.65 118.16 124.66 2cup n LYS 86 Ca -0.19 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 2cup n LYS 86 Cb 0.52 -5.37 0.00 0.00 -0.02 0.00 0.00 35.03 30.16 2cup n LYS 86 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2cup n GLY 87 N -1.67 1.84 3.70 0.72 0.00 -1.26 -4.96 105.19 103.57 2cup n GLY 87 Ca -0.03 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 2cup n GLY 87 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cup s THR 88 N -0.11 4.84 -0.20 2.61 -4.23 -0.66 -5.02 115.64 112.87 2cup s THR 88 Ca 0.00 2.04 -0.05 0.00 -1.18 0.00 0.00 61.69 62.50 2cup s THR 88 Cb 0.00 -4.31 -0.02 0.00 1.34 0.00 0.00 72.50 69.51 2cup s THR 88 CO 0.00 0.10 -0.01 0.54 -0.54 0.00 0.00 174.62 174.71 2cup s VAL 89 N 1.39 3.80 -0.14 2.29 0.11 -1.26 -0.35 120.40 126.24 2cup s VAL 89 Ca 0.50 -0.36 -0.05 0.00 -2.93 0.00 0.00 61.98 59.14 2cup s VAL 89 Cb -0.20 -2.72 -0.04 0.00 -1.53 0.00 0.00 36.38 31.90 2cup s VAL 89 CO 0.24 0.43 0.04 0.26 -3.33 0.00 0.00 175.10 172.74 2cup s TRP 90 N 1.10 3.25 0.15 1.54 0.52 0.29 -4.15 118.94 121.64 2cup s TRP 90 Ca 0.02 0.13 -0.33 0.00 0.02 0.00 0.00 56.10 55.94 2cup s TRP 90 Cb -0.14 -1.96 -0.16 0.00 -1.15 0.00 0.00 33.47 30.06 2cup s TRP 90 CO 0.01 0.31 1.08 0.72 0.02 0.00 0.00 176.95 179.09 2cup n HIS 91 N 2.89 1.02 0.09 -1.98 8.25 -1.26 0.23 115.22 124.45 2cup n HIS 91 Ca -0.18 0.76 0.15 0.00 -0.26 0.00 0.00 57.72 58.20 2cup n HIS 91 Cb 0.53 -2.22 0.35 0.00 1.12 0.00 0.00 29.99 29.77 2cup n HIS 91 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2cup h LYS 92 N 3.05 0.00 0.08 -0.41 1.63 -1.67 1.11 116.57 120.36 2cup h LYS 92 Ca -0.43 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.01 2cup h LYS 92 Cb 1.37 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.96 2cup h LYS 92 CO 0.68 0.00 -2.10 -3.47 -3.45 0.00 0.00 179.45 171.10 2cup n ASP 93 N -2.97 1.95 -0.26 4.20 2.03 -1.26 -4.27 116.55 115.97 2cup n ASP 93 Ca 0.10 0.13 -0.04 0.00 0.52 0.00 0.00 54.79 55.50 2cup n ASP 93 Cb 1.10 -0.65 0.12 0.00 -0.72 0.00 0.00 41.12 40.97 2cup n ASP 93 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2cup s PHE 95 N -5.56 2.96 -0.20 0.00 2.19 -0.18 -4.72 117.98 112.46 2cup s PHE 95 Ca -0.12 -1.60 -0.21 0.00 0.33 0.00 0.00 56.93 55.33 2cup s PHE 95 Cb 0.16 -4.59 -0.20 0.00 -1.31 0.00 0.00 43.02 37.09 2cup s PHE 95 CO 0.82 -1.69 0.26 0.66 1.83 0.00 0.00 175.22 177.10 2cup h SER 96 N 7.99 0.03 0.00 6.13 4.64 -1.85 -3.47 113.55 127.00 2cup h SER 96 Ca 0.34 -0.56 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2cup h SER 96 Cb 0.91 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2cup h SER 96 CO 1.36 1.48 0.00 0.61 -0.87 0.00 0.00 176.83 179.42 2cup n GLY 97 N 1.47 3.37 0.00 -0.77 0.00 -1.26 -4.97 105.19 103.04 2cup n GLY 97 Ca -0.31 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.47 2cup n GLY 97 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cup n PRO 98 N 0.00 0.34 -1.26 1.61 -0.04 -1.26 -4.88 135.00 129.51 2cup n PRO 98 Ca 0.00 0.08 -0.46 0.00 -0.04 0.00 0.00 63.50 63.08 2cup n PRO 98 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 2cup n PRO 98 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2cup n SER 99 N -1.15 -0.66 -3.49 3.54 7.64 -1.26 -4.72 113.62 113.52 2cup n SER 99 Ca 0.09 1.00 -0.32 0.00 1.01 0.00 0.00 58.87 60.65 2cup n SER 99 Cb 0.09 -0.82 0.01 0.00 -1.01 0.00 0.00 64.21 62.48 2cup n SER 99 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2cup n SER 100 N 1.57 -3.13 0.00 6.43 7.64 -1.26 -5.24 113.62 119.63 2cup n SER 100 Ca 0.16 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.56 2cup n SER 100 Cb 0.16 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 2cup n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64