#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vbp s GLN 3 N 0.00 1.56 0.03 -1.46 -2.07 -1.26 -5.13 119.66 111.34 1vbp s GLN 3 Ca 0.00 -1.89 -0.08 0.00 -1.82 0.00 0.00 55.36 51.57 1vbp s GLN 3 Cb 0.00 0.28 -0.00 0.00 -1.09 0.00 0.00 33.01 32.20 1vbp s GLN 3 CO 0.00 -0.55 0.16 0.95 -1.32 0.00 0.00 175.29 174.53 1vbp s THR 4 N -3.69 0.11 0.06 3.63 -4.23 -1.26 -5.09 115.64 105.17 1vbp s THR 4 Ca 0.40 -0.89 -0.30 0.00 -1.18 0.00 0.00 61.69 59.71 1vbp s THR 4 Cb 0.04 -0.79 -0.09 0.00 1.34 0.00 0.00 72.50 73.00 1vbp s THR 4 CO 0.22 -0.49 1.79 -0.63 -0.54 0.00 0.00 174.62 174.97 1vbp s ILE 5 N -2.28 2.92 -0.28 2.99 1.01 -1.14 -4.80 121.20 119.63 1vbp s ILE 5 Ca -0.07 0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.84 1vbp s ILE 5 Cb -0.03 -3.16 0.08 0.00 0.01 0.00 0.00 42.46 39.36 1vbp s ILE 5 CO -0.03 -0.01 -0.02 -0.89 0.00 0.00 0.00 174.94 174.00 1vbp s THR 6 N 3.30 1.78 0.22 2.92 2.01 -1.26 0.13 115.64 124.75 1vbp s THR 6 Ca 0.80 -1.64 0.05 0.00 0.31 0.00 0.00 61.69 61.21 1vbp s THR 6 Cb -0.42 -2.12 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 1vbp s THR 6 CO 0.36 -0.29 0.31 0.54 -0.69 0.00 0.00 174.62 174.85 1vbp s VAL 7 N 1.23 5.13 -3.55 3.82 0.11 -1.03 -4.98 120.40 121.13 1vbp s VAL 7 Ca 0.00 -0.99 0.00 0.00 -2.93 0.00 0.00 61.98 58.06 1vbp s VAL 7 Cb -0.19 -3.75 0.00 0.00 -1.53 0.00 0.00 36.38 30.91 1vbp s VAL 7 CO -0.09 -0.28 0.00 0.61 -3.33 0.00 0.00 175.10 172.02 1vbp n GLY 8 N -1.16 0.90 0.00 6.54 0.00 -1.26 -1.88 105.19 108.32 1vbp n GLY 8 Ca -0.08 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1vbp n GLY 8 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vbp n SER 9 N 2.13 0.00 -4.59 1.61 7.64 -1.18 -4.96 113.62 114.27 1vbp n SER 9 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 1vbp n SER 9 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1vbp n SER 9 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1vbp s TRP 10 N -1.19 3.23 -2.67 1.43 0.51 -0.22 -4.89 118.94 115.14 1vbp s TRP 10 Ca 0.00 0.38 0.00 0.00 -2.12 0.00 0.00 56.10 54.36 1vbp s TRP 10 Cb 0.00 -2.69 0.00 0.00 -0.81 0.00 0.00 33.47 29.97 1vbp s TRP 10 CO 0.00 -0.33 0.00 0.41 -0.51 0.00 0.00 176.95 176.52 1vbp n GLY 11 N 4.66 0.73 3.92 0.98 0.00 -1.26 -0.98 105.19 113.24 1vbp n GLY 11 Ca -0.07 -2.08 -0.26 0.00 0.00 0.00 0.00 46.02 43.62 1vbp n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vbp s GLY 12 N 0.00 1.56 0.00 -0.02 0.00 -0.95 -4.91 107.32 103.00 1vbp s GLY 12 Ca 0.00 -0.74 0.22 0.00 0.00 0.00 0.00 44.72 44.19 1vbp s GLY 12 CO 0.00 -0.53 1.60 -1.55 0.00 0.00 0.00 173.10 172.63 1vbp n PRO 13 N -2.34 1.63 0.00 2.90 -0.04 -1.26 -4.28 135.00 131.60 1vbp n PRO 13 Ca 0.02 -0.94 0.00 0.00 -0.04 0.00 0.00 63.50 62.55 1vbp n PRO 13 Cb 0.57 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 1vbp n PRO 13 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vbp n GLY 14 N 1.09 -0.54 2.69 0.55 0.00 -1.26 -4.97 105.19 102.75 1vbp n GLY 14 Ca 0.16 -1.59 0.08 0.00 0.00 0.00 0.00 46.02 44.67 1vbp n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vbp n GLY 15 N 4.82 -0.88 3.82 -0.02 0.00 -1.26 -4.72 105.19 106.95 1vbp n GLY 15 Ca 0.00 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 1vbp n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vbp s ASN 16 N -4.30 6.39 0.63 1.61 0.02 -0.23 -4.78 114.94 114.29 1vbp s ASN 16 Ca 0.00 0.46 -0.14 0.00 -1.02 0.00 0.00 52.86 52.16 1vbp s ASN 16 Cb 0.00 -2.11 -0.02 0.00 0.02 0.00 0.00 41.25 39.14 1vbp s ASN 16 CO 0.00 0.31 1.06 -0.83 0.02 0.00 0.00 177.10 177.65 1vbp s GLY 17 N -0.50 1.94 0.26 0.66 0.00 -1.26 -0.28 107.32 108.14 1vbp s GLY 17 Ca 0.14 0.27 -0.22 0.00 0.00 0.00 0.00 44.72 44.91 1vbp s GLY 17 CO 0.03 0.58 0.77 0.66 0.00 0.00 0.00 173.10 175.14 1vbp s TRP 18 N -2.69 -0.18 -0.30 1.90 1.48 -0.40 -4.88 118.94 113.88 1vbp s TRP 18 Ca 0.61 -0.26 -0.03 0.00 -1.06 0.00 0.00 56.10 55.36 1vbp s TRP 18 Cb -0.15 0.70 0.19 0.00 -1.16 0.00 0.00 33.47 33.04 1vbp s TRP 18 CO 0.44 -1.16 0.73 0.34 -4.06 0.00 0.00 176.95 173.24 1vbp s ASP 19 N -2.93 -1.15 0.14 -2.66 2.15 -1.26 -2.26 116.67 108.71 1vbp s ASP 19 Ca 0.11 0.56 -0.17 0.00 0.43 0.00 0.00 52.55 53.48 1vbp s ASP 19 Cb -0.05 1.90 0.01 0.00 -0.30 0.00 0.00 42.92 44.48 1vbp s ASP 19 CO 0.06 -0.21 1.76 0.44 -0.17 0.00 0.00 175.17 177.05 1vbp h ASP 20 N 7.95 0.19 -4.92 -0.34 5.19 -1.54 -3.49 116.42 119.46 1vbp h ASP 20 Ca -0.16 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 1vbp h ASP 20 Cb 1.17 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.67 1vbp h ASP 20 CO 0.13 0.15 0.00 0.61 -3.12 0.00 0.00 179.24 177.01 1vbp n GLY 21 N -1.19 0.55 3.60 2.75 0.00 -1.26 -4.95 105.19 104.68 1vbp n GLY 21 Ca -0.00 -2.29 -0.35 0.00 0.00 0.00 0.00 46.02 43.38 1vbp n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vbp s SER 22 N -2.25 5.46 0.00 1.61 0.01 -1.26 -4.00 113.70 113.26 1vbp s SER 22 Ca 0.00 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.29 1vbp s SER 22 Cb 0.00 -1.93 0.00 0.00 0.21 0.00 0.00 66.02 64.30 1vbp s SER 22 CO 0.00 0.16 0.00 -1.22 0.41 0.00 0.00 173.24 172.59 1vbp n TYR 23 N 3.65 0.00 -0.04 2.43 4.02 -0.37 -5.02 117.16 121.83 1vbp n TYR 23 Ca -0.17 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.69 1vbp n TYR 23 Cb 0.52 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.70 1vbp n TYR 23 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1vbp n THR 24 N 0.00 1.15 0.00 -0.72 -1.04 0.69 -4.93 114.28 109.43 1vbp n THR 24 Ca 0.00 -0.75 0.00 0.00 -2.04 0.00 0.00 64.05 61.26 1vbp n THR 24 Cb 0.00 -0.55 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 1vbp n THR 24 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1vbp n GLY 25 N 1.55 0.00 3.61 3.41 0.00 -1.02 -4.90 105.19 107.84 1vbp n GLY 25 Ca -0.20 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 1vbp n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vbp s ILE 26 N -2.00 4.84 -0.18 -0.61 1.01 -1.26 0.25 121.20 123.25 1vbp s ILE 26 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.66 1vbp s ILE 26 Cb 0.00 -3.21 -0.12 0.00 0.01 0.00 0.00 42.46 39.14 1vbp s ILE 26 CO 0.00 0.42 -0.14 0.54 0.00 0.00 0.00 174.94 175.76 1vbp n ARG 27 N 3.90 0.56 -3.59 2.79 1.74 -0.07 -4.77 116.66 117.21 1vbp n ARG 27 Ca -0.16 0.10 -0.16 0.00 -0.77 0.00 0.00 57.85 56.85 1vbp n ARG 27 Cb 0.52 -1.36 -0.07 0.00 -1.02 0.00 0.00 32.46 30.53 1vbp n ARG 27 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1vbp s GLN 28 N -2.36 0.92 -0.13 5.56 0.74 -0.39 -1.59 119.66 122.41 1vbp s GLN 28 Ca -0.23 0.33 -0.00 0.00 0.05 0.00 0.00 55.36 55.51 1vbp s GLN 28 Cb 0.06 0.43 0.02 0.00 1.10 0.00 0.00 33.01 34.63 1vbp s GLN 28 CO 0.43 -0.25 -0.10 0.42 -0.55 0.00 0.00 175.29 175.24 1vbp s ILE 29 N -0.86 1.24 0.09 -2.34 1.01 -0.02 0.11 121.20 120.43 1vbp s ILE 29 Ca -0.09 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.18 1vbp s ILE 29 Cb -0.02 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 1vbp s ILE 29 CO 0.07 0.40 0.03 -0.70 0.00 0.00 0.00 174.94 174.74 1vbp s GLU 30 N 1.59 2.66 -0.16 2.79 2.12 -0.70 -0.07 118.70 126.93 1vbp s GLU 30 Ca 0.04 -0.78 -0.32 0.00 0.36 0.00 0.00 54.97 54.27 1vbp s GLU 30 Cb -0.13 -2.61 0.14 0.00 0.26 0.00 0.00 34.13 31.79 1vbp s GLU 30 CO -0.09 0.55 1.12 -0.48 -0.54 0.00 0.00 175.26 175.82 1vbp s LEU 31 N -2.33 -0.22 -0.12 2.70 0.05 -0.69 -0.91 118.68 117.16 1vbp s LEU 31 Ca 0.27 0.09 -0.00 0.00 0.05 0.00 0.00 54.13 54.53 1vbp s LEU 31 Cb -0.12 1.57 -0.02 0.00 -2.05 0.00 0.00 46.19 45.57 1vbp s LEU 31 CO 0.20 -0.31 -0.12 -0.94 -0.55 0.00 0.00 176.35 174.63 1vbp s SER 32 N -1.87 4.11 0.03 1.48 1.04 -0.24 -0.74 113.70 117.51 1vbp s SER 32 Ca 0.06 -0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.21 1vbp s SER 32 Cb -0.01 -1.54 -0.02 0.00 0.10 0.00 0.00 66.02 64.54 1vbp s SER 32 CO -0.05 0.19 -0.05 -0.72 0.98 0.00 0.00 173.24 173.60 1vbp s TYR 33 N 0.21 0.42 0.00 5.02 1.13 -0.33 0.31 117.35 124.11 1vbp s TYR 33 Ca -0.08 -0.57 0.00 0.00 -1.41 0.00 0.00 57.07 55.02 1vbp s TYR 33 Cb -0.15 -0.28 0.00 0.00 -1.10 0.00 0.00 41.96 40.43 1vbp s TYR 33 CO 0.05 -0.17 0.00 1.17 -2.51 0.00 0.00 175.55 174.09 1vbp n LYS 34 N 1.42 0.00 -0.09 -3.49 4.81 -1.26 -1.98 118.16 117.57 1vbp n LYS 34 Ca -0.23 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.33 1vbp n LYS 34 Cb 0.55 0.00 0.30 0.00 0.02 0.00 0.00 35.03 35.91 1vbp n LYS 34 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1vbp n GLU 35 N 0.00 2.06 -3.25 1.64 -0.58 -1.26 -3.75 120.64 115.49 1vbp n GLU 35 Ca 0.00 -1.57 -0.04 0.00 -0.42 0.00 0.00 57.16 55.13 1vbp n GLU 35 Cb 0.00 -1.46 0.02 0.00 -0.57 0.00 0.00 31.44 29.43 1vbp n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1vbp n ALA 36 N 0.83 -1.83 -2.83 0.62 0.00 -1.25 -3.61 120.51 112.44 1vbp n ALA 36 Ca 0.17 -0.86 -0.36 0.00 0.00 0.00 0.00 53.44 52.40 1vbp n ALA 36 Cb 0.46 0.56 -0.11 0.00 0.00 0.00 0.00 19.45 20.36 1vbp n ALA 36 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1vbp s ILE 37 N -2.22 4.82 0.00 0.00 1.09 -0.73 -4.29 121.20 119.87 1vbp s ILE 37 Ca 0.16 -0.01 0.00 0.00 -1.10 0.00 0.00 60.65 59.70 1vbp s ILE 37 Cb -0.03 -3.22 0.00 0.00 -1.06 0.00 0.00 42.46 38.15 1vbp s ILE 37 CO 0.06 0.38 0.00 0.61 -0.10 0.00 0.00 174.94 175.89 1vbp n GLY 38 N 4.23 0.20 3.77 6.18 0.00 0.15 -1.73 105.19 117.99 1vbp n GLY 38 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 1vbp n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vbp s SER 39 N -0.22 6.21 -0.29 1.61 0.01 -1.23 -2.89 113.70 116.90 1vbp s SER 39 Ca 0.00 2.71 0.03 0.00 1.31 0.00 0.00 55.95 60.00 1vbp s SER 39 Cb 0.00 -2.64 0.18 0.00 0.21 0.00 0.00 66.02 63.77 1vbp s SER 39 CO 0.00 -0.93 0.53 0.12 0.41 0.00 0.00 173.24 173.37 1vbp s PHE 40 N -1.25 -1.51 0.48 2.43 2.19 -0.28 -1.07 117.98 118.96 1vbp s PHE 40 Ca 0.58 0.97 0.03 0.00 0.33 0.00 0.00 56.93 58.84 1vbp s PHE 40 Cb -0.39 0.21 -0.03 0.00 -1.31 0.00 0.00 43.02 41.50 1vbp s PHE 40 CO 0.50 -0.99 0.02 0.45 1.83 0.00 0.00 175.22 177.03 1vbp s SER 41 N 2.73 4.08 -0.12 6.13 0.15 -0.09 -3.67 113.70 122.92 1vbp s SER 41 Ca 0.12 -1.54 -0.30 0.00 0.70 0.00 0.00 55.95 54.92 1vbp s SER 41 Cb -0.12 0.22 0.10 0.00 -1.71 0.00 0.00 66.02 64.51 1vbp s SER 41 CO -0.25 -0.73 0.86 0.54 1.20 0.00 0.00 173.24 174.85 1vbp s VAL 42 N -2.82 0.00 -0.34 4.45 0.11 -1.26 -1.72 120.40 118.82 1vbp s VAL 42 Ca 0.16 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.17 1vbp s VAL 42 Cb 0.04 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.95 1vbp s VAL 42 CO 0.08 0.00 0.09 -0.63 -3.33 0.00 0.00 175.10 171.31 1vbp s ILE 43 N -1.06 3.37 0.59 7.04 1.01 0.30 -0.75 121.20 131.70 1vbp s ILE 43 Ca -0.06 -1.43 -0.06 0.00 0.00 0.00 0.00 60.65 59.11 1vbp s ILE 43 Cb -0.01 -3.00 0.01 0.00 0.01 0.00 0.00 42.46 39.47 1vbp s ILE 43 CO 0.05 -0.26 0.90 -0.31 0.00 0.00 0.00 174.94 175.32 1vbp s TYR 44 N 1.29 3.27 -0.12 3.97 2.02 -0.31 -0.89 117.35 126.57 1vbp s TYR 44 Ca -0.01 0.65 -0.07 0.00 -0.37 0.00 0.00 57.07 57.28 1vbp s TYR 44 Cb -0.20 -2.72 -0.04 0.00 -0.40 0.00 0.00 41.96 38.60 1vbp s TYR 44 CO -0.00 -0.80 0.13 0.34 -1.57 0.00 0.00 175.55 173.65 1vbp s ASP 45 N -4.30 6.28 -0.54 2.29 2.15 0.68 -0.05 116.67 123.19 1vbp s ASP 45 Ca 0.54 0.43 0.04 0.00 0.43 0.00 0.00 52.55 53.99 1vbp s ASP 45 Cb -0.11 -2.02 0.16 0.00 -0.30 0.00 0.00 42.92 40.65 1vbp s ASP 45 CO 0.45 0.40 0.37 -0.22 -0.17 0.00 0.00 175.17 176.00 1vbp s LEU 46 N -0.95 3.22 -0.93 -1.34 2.96 0.17 -0.22 118.68 121.58 1vbp s LEU 46 Ca 0.14 -3.24 -0.05 0.00 -0.22 0.00 0.00 54.13 50.76 1vbp s LEU 46 Cb -0.12 -1.12 -0.06 0.00 0.50 0.00 0.00 46.19 45.39 1vbp s LEU 46 CO 0.04 -0.17 0.81 0.59 -1.32 0.00 0.00 176.35 176.30 1vbp n ASN 47 N 2.72 -5.72 0.00 3.68 4.13 -1.26 -3.10 115.26 115.71 1vbp n ASN 47 Ca 0.19 -0.62 0.00 0.00 1.68 0.00 0.00 54.58 55.83 1vbp n ASN 47 Cb 0.38 -4.63 0.00 0.00 -1.54 0.00 0.00 39.78 33.99 1vbp n ASN 47 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1vbp n GLY 48 N -1.25 2.90 3.50 7.41 0.00 -1.26 -5.00 105.19 111.49 1vbp n GLY 48 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1vbp n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vbp s ASP 49 N -0.45 4.08 0.15 1.61 -0.00 -1.18 -5.09 116.67 115.79 1vbp s ASP 49 Ca 0.00 -0.32 -0.32 0.00 -0.00 0.00 0.00 52.55 51.90 1vbp s ASP 49 Cb 0.00 -0.78 -0.12 0.00 -0.00 0.00 0.00 42.92 42.02 1vbp s ASP 49 CO 0.00 0.27 1.73 -2.65 -0.00 0.00 0.00 175.17 174.52 1vbp n PRO 50 N 1.58 2.58 -3.98 8.23 -0.02 -1.26 0.41 135.00 142.54 1vbp n PRO 50 Ca -0.16 0.93 -0.30 0.00 -2.02 0.00 0.00 63.50 61.96 1vbp n PRO 50 Cb 0.52 -2.77 -0.16 0.00 -0.02 0.00 0.00 33.50 31.07 1vbp n PRO 50 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1vbp s PHE 51 N 1.73 2.18 -0.29 6.00 2.19 0.92 -4.85 117.98 125.87 1vbp s PHE 51 Ca 0.79 -1.35 -0.29 0.00 0.33 0.00 0.00 56.93 56.41 1vbp s PHE 51 Cb -0.56 -1.55 -0.01 0.00 -1.31 0.00 0.00 43.02 39.59 1vbp s PHE 51 CO 0.36 -0.69 1.57 -1.12 1.83 0.00 0.00 175.22 177.18 1vbp s SER 52 N 1.48 6.31 0.58 6.13 0.01 -1.26 -1.17 113.70 125.78 1vbp s SER 52 Ca 0.01 1.35 -0.17 0.00 1.31 0.00 0.00 55.95 58.46 1vbp s SER 52 Cb -0.15 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 1vbp s SER 52 CO -0.09 -1.36 1.06 -0.83 0.41 0.00 0.00 173.24 172.43 1vbp s GLY 53 N 4.35 2.20 0.69 3.44 0.00 0.07 -4.96 107.32 113.11 1vbp s GLY 53 Ca 0.69 0.44 -0.17 0.00 0.00 0.00 0.00 44.72 45.69 1vbp s GLY 53 CO 0.30 0.76 0.41 -1.05 0.00 0.00 0.00 173.10 173.52 1vbp n PRO 54 N -1.84 0.30 -3.10 2.90 -0.02 -1.26 -4.57 135.00 127.41 1vbp n PRO 54 Ca 0.09 0.13 -0.39 0.00 -2.02 0.00 0.00 63.50 61.31 1vbp n PRO 54 Cb 0.53 -1.69 -0.06 0.00 -0.02 0.00 0.00 33.50 32.26 1vbp n PRO 54 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1vbp s LYS 55 N -2.43 4.42 -0.43 -0.52 -0.14 -1.26 -4.59 119.74 114.79 1vbp s LYS 55 Ca 0.64 0.99 0.10 0.00 -1.36 0.00 0.00 55.97 56.34 1vbp s LYS 55 Cb -0.37 -3.26 0.35 0.00 -1.68 0.00 0.00 37.83 32.87 1vbp s LYS 55 CO 0.59 0.58 0.80 0.72 -0.76 0.00 0.00 175.35 177.29 1vbp n HIS 56 N 1.71 1.33 -3.22 3.18 8.25 -1.24 -5.05 115.22 120.18 1vbp n HIS 56 Ca -0.07 -3.84 -0.39 0.00 -0.26 0.00 0.00 57.72 53.16 1vbp n HIS 56 Cb 0.50 -0.43 -0.06 0.00 1.12 0.00 0.00 29.99 31.11 1vbp n HIS 56 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1vbp s THR 57 N -3.06 4.82 -0.19 1.59 -4.23 -1.26 -1.13 115.64 112.18 1vbp s THR 57 Ca 0.42 1.26 -0.09 0.00 -1.18 0.00 0.00 61.69 62.10 1vbp s THR 57 Cb 0.33 -3.93 -0.05 0.00 1.34 0.00 0.00 72.50 70.20 1vbp s THR 57 CO -0.09 0.47 0.11 -0.55 -0.54 0.00 0.00 174.62 174.01 1vbp s SER 58 N -0.55 6.01 0.25 3.99 0.15 -1.26 -4.87 113.70 117.43 1vbp s SER 58 Ca 0.31 0.18 -0.03 0.00 0.70 0.00 0.00 55.95 57.11 1vbp s SER 58 Cb -0.19 -2.05 0.52 0.00 -1.71 0.00 0.00 66.02 62.60 1vbp s SER 58 CO 0.18 0.18 1.70 0.11 1.20 0.00 0.00 173.24 176.62 1vbp h LYS 59 N 6.65 0.35 -5.66 5.44 6.56 -1.92 -3.43 116.57 124.55 1vbp h LYS 59 Ca -0.40 -0.02 -0.57 0.00 -1.06 0.00 0.00 60.65 58.60 1vbp h LYS 59 Cb 1.16 -0.08 0.17 0.00 -0.57 0.00 0.00 32.23 32.91 1vbp h LYS 59 CO 0.74 0.23 -1.09 1.28 -2.06 0.00 0.00 179.45 178.55 1vbp n LEU 60 N -5.08 -3.46 -3.64 2.94 7.99 -1.26 -4.85 117.00 109.64 1vbp n LEU 60 Ca 0.16 0.62 -0.41 0.00 -0.01 0.00 0.00 56.01 56.37 1vbp n LEU 60 Cb 0.49 -0.80 -0.00 0.00 -0.11 0.00 0.00 43.42 42.99 1vbp n LEU 60 CO 0.14 -4.52 2.39 -0.81 -1.51 0.00 0.00 177.39 173.08 1vbp n PRO 61 N 1.42 3.87 -2.55 3.23 -0.04 -1.26 -4.99 135.00 134.68 1vbp n PRO 61 Ca 0.07 -3.22 -0.22 0.00 -0.04 0.00 0.00 63.50 60.09 1vbp n PRO 61 Cb 0.44 -2.85 0.05 0.00 -0.04 0.00 0.00 33.50 31.10 1vbp n PRO 61 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1vbp s TYR 62 N 0.42 2.78 -0.07 0.54 1.51 -1.26 -5.03 117.35 116.24 1vbp s TYR 62 Ca 0.49 0.05 -0.26 0.00 -1.01 0.00 0.00 57.07 56.35 1vbp s TYR 62 Cb 0.14 -2.86 -0.03 0.00 -0.11 0.00 0.00 41.96 39.10 1vbp s TYR 62 CO -0.05 -1.04 0.80 0.15 -1.11 0.00 0.00 175.55 174.31 1vbp s LYS 63 N -4.88 4.44 0.31 -0.62 1.02 -0.84 -4.75 119.74 114.42 1vbp s LYS 63 Ca 0.59 1.06 -0.09 0.00 0.02 0.00 0.00 55.97 57.54 1vbp s LYS 63 Cb -0.10 -3.48 -0.07 0.00 -0.52 0.00 0.00 37.83 33.66 1vbp s LYS 63 CO 0.40 -0.05 0.64 -0.80 -0.92 0.00 0.00 175.35 174.62 1vbp s ASN 64 N 0.93 6.56 -0.08 2.83 0.01 -1.26 -1.19 114.94 122.75 1vbp s ASN 64 Ca 0.42 0.98 -0.09 0.00 -0.71 0.00 0.00 52.86 53.45 1vbp s ASN 64 Cb -0.18 -2.25 0.02 0.00 0.41 0.00 0.00 41.25 39.25 1vbp s ASN 64 CO 0.19 -0.23 0.25 0.68 -1.51 0.00 0.00 177.10 176.49 1vbp s VAL 65 N -2.09 0.02 -0.20 1.60 -7.23 0.08 -4.98 120.40 107.60 1vbp s VAL 65 Ca 0.48 -0.13 -0.06 0.00 -1.81 0.00 0.00 61.98 60.47 1vbp s VAL 65 Cb -0.11 -0.40 -0.03 0.00 0.56 0.00 0.00 36.38 36.40 1vbp s VAL 65 CO 0.26 -0.07 0.03 -0.54 -0.31 0.00 0.00 175.10 174.47 1vbp s LYS 66 N -0.19 3.73 -0.58 4.82 1.02 -1.26 -1.71 119.74 125.57 1vbp s LYS 66 Ca -0.03 -0.46 -0.07 0.00 0.02 0.00 0.00 55.97 55.43 1vbp s LYS 66 Cb -0.03 -3.16 0.15 0.00 -0.52 0.00 0.00 37.83 34.27 1vbp s LYS 66 CO 0.01 0.06 0.43 0.42 -0.92 0.00 0.00 175.35 175.35 1vbp s ILE 67 N 0.92 4.19 -0.51 2.17 1.01 0.89 -4.97 121.20 124.89 1vbp s ILE 67 Ca 0.02 -2.32 -0.20 0.00 0.00 0.00 0.00 60.65 58.15 1vbp s ILE 67 Cb -0.14 -3.72 0.05 0.00 0.01 0.00 0.00 42.46 38.66 1vbp s ILE 67 CO 0.02 -0.84 0.68 -1.61 0.00 0.00 0.00 174.94 173.19 1vbp s GLU 68 N 0.66 3.16 0.25 2.79 2.02 -1.26 -0.84 118.70 125.49 1vbp s GLU 68 Ca 0.12 -0.76 -0.29 0.00 0.02 0.00 0.00 54.97 54.05 1vbp s GLU 68 Cb -0.21 -4.09 -0.09 0.00 0.10 0.00 0.00 34.13 29.84 1vbp s GLU 68 CO -0.03 -1.27 0.95 -0.51 0.02 0.00 0.00 175.26 174.42 1vbp s LEU 69 N 2.88 4.60 -1.45 1.80 1.02 -0.62 -4.93 118.68 121.97 1vbp s LEU 69 Ca 0.18 1.94 -0.09 0.00 0.02 0.00 0.00 54.13 56.19 1vbp s LEU 69 Cb -0.18 -3.67 -0.06 0.00 0.02 0.00 0.00 46.19 42.30 1vbp s LEU 69 CO 0.13 0.11 2.89 0.29 0.02 0.00 0.00 176.35 179.79 1vbp n LYS 70 N 1.33 3.77 -1.62 1.70 5.02 -1.26 -4.84 118.16 122.27 1vbp n LYS 70 Ca -0.01 -2.39 -0.35 0.00 -2.02 0.00 0.00 58.31 53.54 1vbp n LYS 70 Cb 0.47 -2.71 0.08 0.00 -0.02 0.00 0.00 35.03 32.85 1vbp n LYS 70 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1vbp s PHE 71 N 1.37 2.13 -2.29 2.13 5.36 -1.25 -0.85 117.98 124.58 1vbp s PHE 71 Ca 0.66 1.56 0.20 0.00 -0.96 0.00 0.00 56.93 58.40 1vbp s PHE 71 Cb 0.19 -3.51 0.56 0.00 -0.34 0.00 0.00 43.02 39.92 1vbp s PHE 71 CO -0.07 -2.58 1.45 -0.35 -1.46 0.00 0.00 175.22 172.22 1vbp n PRO 72 N -2.33 2.12 0.03 10.12 -0.04 -1.26 -4.75 135.00 138.90 1vbp n PRO 72 Ca 0.14 -1.71 -0.13 0.00 -0.04 0.00 0.00 63.50 61.76 1vbp n PRO 72 Cb 0.50 -1.44 -0.02 0.00 -0.04 0.00 0.00 33.50 32.49 1vbp n PRO 72 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1vbp h ASP 73 N 3.23 0.65 -3.49 3.54 3.32 -1.88 -3.45 116.42 118.35 1vbp h ASP 73 Ca 0.00 -0.45 -0.67 0.00 0.02 0.00 0.00 57.03 55.93 1vbp h ASP 73 Cb 0.72 -0.19 -0.15 0.00 0.22 0.00 0.00 39.33 39.92 1vbp h ASP 73 CO 0.00 1.23 -0.69 -0.70 -1.72 0.00 0.00 179.24 177.36 1vbp s GLU 74 N -3.55 2.53 -0.10 3.56 2.12 -0.03 -4.93 118.70 118.31 1vbp s GLU 74 Ca -0.07 -0.77 -0.30 0.00 0.36 0.00 0.00 54.97 54.19 1vbp s GLU 74 Cb 0.09 -2.51 0.10 0.00 0.26 0.00 0.00 34.13 32.07 1vbp s GLU 74 CO 0.87 0.58 0.87 -0.59 -0.54 0.00 0.00 175.26 176.45 1vbp s PHE 75 N -1.12 -0.46 0.34 5.30 -0.12 -1.26 -3.79 117.98 116.87 1vbp s PHE 75 Ca 0.20 0.71 -0.28 0.00 -0.05 0.00 0.00 56.93 57.52 1vbp s PHE 75 Cb -0.11 0.45 -0.12 0.00 -0.63 0.00 0.00 43.02 42.61 1vbp s PHE 75 CO 0.12 -0.47 1.29 1.28 -0.05 0.00 0.00 175.22 177.39 1vbp n LEU 76 N 0.61 3.58 -0.00 -1.99 4.32 -1.26 -2.81 117.00 119.45 1vbp n LEU 76 Ca -0.13 1.21 0.04 0.00 -0.02 0.00 0.00 56.01 57.10 1vbp n LEU 76 Cb 0.58 -1.49 -0.04 0.00 -1.62 0.00 0.00 43.42 40.85 1vbp n LEU 76 CO 0.18 -0.48 -0.02 1.21 -1.22 0.00 0.00 177.39 177.06 1vbp n GLU 77 N 0.54 4.41 -3.54 3.23 2.13 -0.18 -4.74 120.64 122.49 1vbp n GLU 77 Ca 0.05 -0.01 -0.08 0.00 0.66 0.00 0.00 57.16 57.78 1vbp n GLU 77 Cb 0.36 -0.87 -0.03 0.00 0.27 0.00 0.00 31.44 31.18 1vbp n GLU 77 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1vbp s SER 78 N -1.73 -0.32 -0.13 4.31 0.15 -1.06 -1.98 113.70 112.94 1vbp s SER 78 Ca 0.03 0.10 -0.04 0.00 0.70 0.00 0.00 55.95 56.75 1vbp s SER 78 Cb 0.06 0.31 0.06 0.00 -1.71 0.00 0.00 66.02 64.74 1vbp s SER 78 CO 0.32 -0.47 0.12 -0.69 1.20 0.00 0.00 173.24 173.72 1vbp s VAL 79 N -2.44 -0.17 0.42 4.45 1.01 -0.88 -2.40 120.40 120.38 1vbp s VAL 79 Ca 0.04 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.14 1vbp s VAL 79 Cb -0.01 -0.45 0.04 0.00 0.00 0.00 0.00 36.38 35.96 1vbp s VAL 79 CO -0.05 -0.08 0.31 -1.20 0.00 0.00 0.00 175.10 174.07 1vbp n SER 80 N 5.30 2.36 0.00 3.32 7.64 0.84 -0.62 113.62 132.46 1vbp n SER 80 Ca -0.05 -2.45 0.00 0.00 1.01 0.00 0.00 58.87 57.37 1vbp n SER 80 Cb 0.49 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1vbp n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vbp n GLY 81 N -0.05 3.09 3.38 0.23 0.00 -1.04 -1.95 105.19 108.85 1vbp n GLY 81 Ca -0.02 -1.26 -0.23 0.00 0.00 0.00 0.00 46.02 44.51 1vbp n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vbp s TYR 82 N -2.00 2.02 0.06 1.61 1.51 0.59 -1.61 117.35 119.54 1vbp s TYR 82 Ca 0.00 -0.42 -0.05 0.00 -1.01 0.00 0.00 57.07 55.58 1vbp s TYR 82 Cb 0.00 -0.98 -0.02 0.00 -0.11 0.00 0.00 41.96 40.85 1vbp s TYR 82 CO 0.00 0.44 0.09 0.95 -1.11 0.00 0.00 175.55 175.92 1vbp s THR 83 N -2.08 0.17 0.00 -0.71 -4.23 -1.12 0.13 115.64 107.80 1vbp s THR 83 Ca 0.20 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.32 1vbp s THR 83 Cb -0.06 -1.30 0.00 0.00 1.34 0.00 0.00 72.50 72.48 1vbp s THR 83 CO 0.09 -0.77 0.00 0.61 -0.54 0.00 0.00 174.62 174.01 1vbp n GLY 84 N 0.19 1.68 0.00 3.99 0.00 -0.88 -1.05 105.19 109.13 1vbp n GLY 84 Ca -0.16 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1vbp n GLY 84 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1vbp n PRO 85 N -1.25 -0.21 -3.64 1.61 -0.02 -1.26 -1.33 135.00 128.90 1vbp n PRO 85 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.42 1vbp n PRO 85 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.41 1vbp n PRO 85 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1vbp s PHE 86 N -0.55 -0.32 0.00 6.00 5.36 -1.26 -4.63 117.98 122.58 1vbp s PHE 86 Ca 0.00 0.76 0.00 0.00 -0.96 0.00 0.00 56.93 56.73 1vbp s PHE 86 Cb 0.00 0.39 0.00 0.00 -0.34 0.00 0.00 43.02 43.07 1vbp s PHE 86 CO 0.00 -0.16 0.00 0.43 -1.46 0.00 0.00 175.22 174.03 1vbp n SER 87 N 2.14 0.00 -0.73 6.13 7.64 -1.26 -4.03 113.62 123.51 1vbp n SER 87 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1vbp n SER 87 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1vbp n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vbp n ALA 88 N -3.00 -0.16 -3.73 -0.43 0.00 -1.26 -4.76 120.51 107.17 1vbp n ALA 88 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1vbp n ALA 88 Cb 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 19.45 19.21 1vbp n ALA 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1vbp s LEU 89 N -1.01 0.47 0.24 0.00 1.43 -1.26 -5.03 118.68 113.53 1vbp s LEU 89 Ca 0.00 0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 53.45 1vbp s LEU 89 Cb 0.00 0.54 0.23 0.00 0.03 0.00 0.00 46.19 46.99 1vbp s LEU 89 CO 0.00 -0.17 1.90 0.00 0.23 0.00 0.00 176.35 178.31 1vbp h ALA 90 N 7.36 1.21 -2.74 4.21 0.00 -1.90 -3.42 119.26 123.98 1vbp h ALA 90 Ca -0.38 -0.10 -0.51 0.00 0.00 0.00 0.00 54.91 53.92 1vbp h ALA 90 Cb 1.14 -0.38 0.02 0.00 0.00 0.00 0.00 17.79 18.57 1vbp h ALA 90 CO 0.37 0.65 0.51 0.95 0.00 0.00 0.00 179.25 181.73 1vbp s THR 91 N -6.00 3.55 -1.48 0.00 -4.23 -1.26 -4.95 115.64 101.27 1vbp s THR 91 Ca -0.13 1.43 0.26 0.00 -1.18 0.00 0.00 61.69 62.07 1vbp s THR 91 Cb 0.17 -3.91 0.16 0.00 1.34 0.00 0.00 72.50 70.26 1vbp s THR 91 CO 0.82 0.29 1.49 -0.81 -0.54 0.00 0.00 174.62 175.87 1vbp n PRO 92 N 1.80 0.53 -0.87 3.99 -0.04 -1.26 -4.76 135.00 134.39 1vbp n PRO 92 Ca 0.01 -0.32 -0.30 0.00 -0.04 0.00 0.00 63.50 62.86 1vbp n PRO 92 Cb 0.45 -1.49 0.18 0.00 -0.04 0.00 0.00 33.50 32.60 1vbp n PRO 92 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1vbp s THR 93 N -2.69 2.31 0.42 0.52 -4.23 -1.26 -4.66 115.64 106.05 1vbp s THR 93 Ca 0.19 0.10 -0.08 0.00 -1.18 0.00 0.00 61.69 60.72 1vbp s THR 93 Cb 0.19 -2.33 -0.05 0.00 1.34 0.00 0.00 72.50 71.64 1vbp s THR 93 CO 0.59 -0.13 0.75 -2.84 -0.54 0.00 0.00 174.62 172.46 1vbp s PRO 94 N -4.71 3.69 0.21 3.99 0.02 -1.26 -4.36 135.00 132.56 1vbp s PRO 94 Ca 0.66 0.34 -0.11 0.00 0.02 0.00 0.00 61.00 61.91 1vbp s PRO 94 Cb -0.21 -2.41 -0.01 0.00 0.02 0.00 0.00 34.50 31.89 1vbp s PRO 94 CO 0.60 -0.07 0.38 0.14 -0.33 0.00 0.00 177.00 177.72 1vbp s VAL 95 N -2.46 0.03 -0.22 3.83 -7.23 -0.44 -2.25 120.40 111.66 1vbp s VAL 95 Ca 0.49 -1.38 -0.29 0.00 -1.81 0.00 0.00 61.98 59.00 1vbp s VAL 95 Cb -0.10 -2.02 -0.02 0.00 0.56 0.00 0.00 36.38 34.79 1vbp s VAL 95 CO 0.35 -0.13 1.57 -0.69 -0.31 0.00 0.00 175.10 175.90 1vbp s VAL 96 N -3.99 3.77 -0.13 1.32 1.01 -0.38 -2.07 120.40 119.93 1vbp s VAL 96 Ca 0.20 0.87 0.19 0.00 0.00 0.00 0.00 61.98 63.25 1vbp s VAL 96 Cb 0.01 -3.76 -0.21 0.00 0.00 0.00 0.00 36.38 32.43 1vbp s VAL 96 CO 0.04 -0.29 0.57 0.54 0.00 0.00 0.00 175.10 175.96 1vbp n ARG 97 N 7.54 0.65 -3.53 2.72 5.12 0.12 -1.78 116.66 127.50 1vbp n ARG 97 Ca 0.18 0.03 -0.16 0.00 -1.93 0.00 0.00 57.85 55.98 1vbp n ARG 97 Cb 0.45 -1.66 -0.05 0.00 -1.16 0.00 0.00 32.46 30.04 1vbp n ARG 97 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1vbp s SER 98 N -5.29 -0.55 0.05 0.55 0.15 -1.10 -2.02 113.70 105.49 1vbp s SER 98 Ca -0.06 0.41 0.02 0.00 0.70 0.00 0.00 55.95 57.02 1vbp s SER 98 Cb 0.10 0.52 -0.03 0.00 -1.71 0.00 0.00 66.02 64.90 1vbp s SER 98 CO 0.84 -0.69 -0.08 -0.76 1.20 0.00 0.00 173.24 173.76 1vbp s LEU 99 N -1.67 2.31 -0.15 3.45 1.02 -0.59 -0.30 118.68 122.75 1vbp s LEU 99 Ca -0.08 -0.65 -0.05 0.00 0.02 0.00 0.00 54.13 53.38 1vbp s LEU 99 Cb -0.01 -0.15 0.07 0.00 0.02 0.00 0.00 46.19 46.13 1vbp s LEU 99 CO 0.03 -0.26 0.27 -0.89 0.02 0.00 0.00 176.35 175.52 1vbp s THR 100 N -1.86 -0.42 -0.30 5.49 2.01 -0.82 -0.70 115.64 119.04 1vbp s THR 100 Ca -0.05 0.19 -0.06 0.00 0.31 0.00 0.00 61.69 62.08 1vbp s THR 100 Cb -0.07 -0.51 0.02 0.00 0.01 0.00 0.00 72.50 71.95 1vbp s THR 100 CO -0.01 0.04 0.07 -0.36 -0.69 0.00 0.00 174.62 173.67 1vbp s PHE 101 N 2.42 3.17 -0.02 4.92 0.08 -0.06 -0.11 117.98 128.37 1vbp s PHE 101 Ca 0.03 -1.19 -0.03 0.00 0.12 0.00 0.00 56.93 55.86 1vbp s PHE 101 Cb -0.13 -2.23 -0.04 0.00 -0.57 0.00 0.00 43.02 40.05 1vbp s PHE 101 CO -0.10 -0.64 0.18 0.15 -0.10 0.00 0.00 175.22 174.71 1vbp s LYS 102 N 1.45 3.44 0.19 0.44 1.02 -1.01 -0.53 119.74 124.74 1vbp s LYS 102 Ca 0.01 -0.30 0.08 0.00 0.02 0.00 0.00 55.97 55.79 1vbp s LYS 102 Cb -0.18 -3.11 -0.04 0.00 -0.52 0.00 0.00 37.83 33.98 1vbp s LYS 102 CO 0.02 0.69 -0.17 -0.08 -0.92 0.00 0.00 175.35 174.89 1vbp s THR 103 N -1.29 1.84 0.64 2.17 -1.32 -0.44 -1.01 115.64 116.23 1vbp s THR 103 Ca 0.26 -2.10 0.33 0.00 -1.21 0.00 0.00 61.69 58.97 1vbp s THR 103 Cb -0.13 -1.98 0.36 0.00 -1.51 0.00 0.00 72.50 69.24 1vbp s THR 103 CO 0.17 -0.45 2.06 -0.55 -2.21 0.00 0.00 174.62 173.64 1vbp h ASN 104 N 2.84 0.00 -0.45 8.08 7.08 -1.82 0.35 115.58 131.65 1vbp h ASN 104 Ca -0.40 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.82 1vbp h ASN 104 Cb 1.22 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.46 1vbp h ASN 104 CO 0.57 0.00 0.00 0.29 -2.08 0.00 0.00 177.43 176.21 1vbp n LYS 105 N -3.23 2.19 -1.01 4.14 4.76 -1.26 -4.91 118.16 118.84 1vbp n LYS 105 Ca -0.00 -1.69 -0.00 0.00 -2.87 0.00 0.00 58.31 53.75 1vbp n LYS 105 Cb 0.32 -1.41 -0.00 0.00 -1.84 0.00 0.00 35.03 32.10 1vbp n LYS 105 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vbp n GLY 106 N 1.16 0.47 3.85 0.72 0.00 0.12 -5.03 105.19 106.48 1vbp n GLY 106 Ca 0.16 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 1vbp n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vbp s ARG 107 N -0.68 3.90 -0.09 1.61 0.52 -1.24 -4.89 118.95 118.09 1vbp s ARG 107 Ca 0.00 0.37 0.04 0.00 -0.52 0.00 0.00 55.73 55.62 1vbp s ARG 107 Cb 0.00 -3.06 0.00 0.00 0.52 0.00 0.00 34.95 32.41 1vbp s ARG 107 CO 0.00 0.58 -0.20 0.99 0.02 0.00 0.00 175.30 176.69 1vbp s THR 108 N -1.30 1.77 -0.22 0.02 2.01 -1.26 -1.33 115.64 115.32 1vbp s THR 108 Ca 0.31 -0.85 -0.04 0.00 0.31 0.00 0.00 61.69 61.42 1vbp s THR 108 Cb -0.15 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.80 1vbp s THR 108 CO 0.17 0.49 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.21 1vbp s PHE 109 N 0.39 2.98 0.00 4.92 0.40 0.31 -4.98 117.98 121.99 1vbp s PHE 109 Ca -0.16 -0.81 0.00 0.00 -0.60 0.00 0.00 56.93 55.36 1vbp s PHE 109 Cb -0.17 -2.12 0.00 0.00 0.51 0.00 0.00 43.02 41.25 1vbp s PHE 109 CO 0.07 -0.48 0.00 0.41 0.70 0.00 0.00 175.22 175.91 1vbp n GLY 110 N 4.73 -1.48 3.76 4.36 0.00 -1.26 -0.88 105.19 114.42 1vbp n GLY 110 Ca -0.18 -2.07 -0.41 0.00 0.00 0.00 0.00 46.02 43.37 1vbp n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vbp s PRO 111 N 0.00 4.23 -0.21 1.61 0.04 -1.26 -4.98 135.00 134.43 1vbp s PRO 111 Ca 0.00 2.38 -0.07 0.00 0.04 0.00 0.00 61.00 63.36 1vbp s PRO 111 Cb 0.00 -3.04 -0.03 0.00 0.04 0.00 0.00 34.50 31.46 1vbp s PRO 111 CO 0.00 -0.40 0.05 0.71 0.04 0.00 0.00 177.00 177.41 1vbp s TYR 112 N -0.73 3.14 0.00 0.56 2.02 0.12 -4.93 117.35 117.53 1vbp s TYR 112 Ca 0.54 -0.21 0.00 0.00 -0.37 0.00 0.00 57.07 57.04 1vbp s TYR 112 Cb -0.43 -2.14 0.00 0.00 -0.40 0.00 0.00 41.96 38.99 1vbp s TYR 112 CO 0.53 -0.12 0.00 0.41 -1.57 0.00 0.00 175.55 174.80 1vbp n GLY 113 N 4.22 -1.59 3.73 0.71 0.00 -1.26 -1.54 105.19 109.46 1vbp n GLY 113 Ca -0.16 -2.06 -0.38 0.00 0.00 0.00 0.00 46.02 43.41 1vbp n GLY 113 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vbp s ASP 114 N -4.00 6.68 -1.43 1.61 2.15 -0.86 -4.90 116.67 115.92 1vbp s ASP 114 Ca 0.00 0.81 -0.11 0.00 0.43 0.00 0.00 52.55 53.69 1vbp s ASP 114 Cb 0.00 -2.28 0.05 0.00 -0.30 0.00 0.00 42.92 40.39 1vbp s ASP 114 CO 0.00 0.03 2.33 -0.62 -0.17 0.00 0.00 175.17 176.74 1vbp n GLU 115 N 3.53 3.49 -4.76 4.34 1.02 -1.26 -3.77 120.64 123.23 1vbp n GLU 115 Ca -0.08 -2.87 -0.33 0.00 -0.02 0.00 0.00 57.16 53.87 1vbp n GLU 115 Cb 0.52 -2.99 -0.16 0.00 -0.02 0.00 0.00 31.44 28.79 1vbp n GLU 115 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1vbp s GLU 116 N 1.63 3.17 0.00 3.49 2.56 -1.26 -5.03 118.70 123.26 1vbp s GLU 116 Ca 0.51 -0.79 0.00 0.00 0.00 0.00 0.00 54.97 54.69 1vbp s GLU 116 Cb 0.14 -2.52 0.00 0.00 2.00 0.00 0.00 34.13 33.76 1vbp s GLU 116 CO -0.06 0.08 0.00 0.41 -0.56 0.00 0.00 175.26 175.13 1vbp n GLY 117 N 3.84 0.14 3.24 -1.50 0.00 -1.26 -4.15 105.19 105.50 1vbp n GLY 117 Ca -0.19 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 43.91 1vbp n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vbp s THR 118 N -0.35 2.99 0.54 2.61 -4.23 -0.21 -4.90 115.64 112.09 1vbp s THR 118 Ca 0.00 -0.74 -0.20 0.00 -1.18 0.00 0.00 61.69 59.57 1vbp s THR 118 Cb 0.00 -2.40 -0.06 0.00 1.34 0.00 0.00 72.50 71.39 1vbp s THR 118 CO 0.00 0.37 1.15 -0.47 -0.54 0.00 0.00 174.62 175.13 1vbp s TYR 119 N 1.40 2.65 -0.05 3.99 5.04 -1.26 -2.78 117.35 126.33 1vbp s TYR 119 Ca 0.04 1.54 -0.04 0.00 -2.44 0.00 0.00 57.07 56.16 1vbp s TYR 119 Cb -0.15 -3.34 0.02 0.00 0.35 0.00 0.00 41.96 38.84 1vbp s TYR 119 CO -0.05 -1.69 0.13 -0.59 -1.34 0.00 0.00 175.55 172.01 1vbp s PHE 120 N -1.71 -0.15 -0.08 4.97 -0.12 -0.63 -5.00 117.98 115.27 1vbp s PHE 120 Ca 0.72 0.38 0.01 0.00 -0.05 0.00 0.00 56.93 57.99 1vbp s PHE 120 Cb -0.26 0.02 0.02 0.00 -0.63 0.00 0.00 43.02 42.17 1vbp s PHE 120 CO 0.29 -0.09 -0.08 1.21 -0.05 0.00 0.00 175.22 176.49 1vbp s ASN 121 N 0.34 1.78 -0.54 1.98 2.47 -1.26 -2.49 114.94 117.22 1vbp s ASN 121 Ca -0.02 -0.26 -0.04 0.00 0.42 0.00 0.00 52.86 52.96 1vbp s ASN 121 Cb -0.03 -0.75 0.14 0.00 -1.45 0.00 0.00 41.25 39.16 1vbp s ASN 121 CO -0.01 -0.05 0.36 -0.22 -3.72 0.00 0.00 177.10 173.45 1vbp s LEU 122 N 1.17 5.34 -0.36 3.21 1.98 0.21 -4.98 118.68 125.25 1vbp s LEU 122 Ca -0.06 -2.45 -0.18 0.00 -2.89 0.00 0.00 54.13 48.55 1vbp s LEU 122 Cb -0.14 -1.87 0.00 0.00 0.66 0.00 0.00 46.19 44.84 1vbp s LEU 122 CO -0.02 -0.47 0.51 -2.16 -1.89 0.00 0.00 176.35 172.32 1vbp s PRO 123 N 0.53 3.54 -0.20 0.98 0.04 -1.26 -2.08 135.00 136.54 1vbp s PRO 123 Ca 0.13 -0.25 -0.21 0.00 0.04 0.00 0.00 61.00 60.70 1vbp s PRO 123 Cb -0.21 -3.84 -0.02 0.00 0.04 0.00 0.00 34.50 30.47 1vbp s PRO 123 CO -0.04 -0.69 0.65 0.42 0.04 0.00 0.00 177.00 177.39 1vbp s ILE 124 N 2.38 5.00 -0.19 0.56 1.01 -0.84 -4.93 121.20 124.20 1vbp s ILE 124 Ca 0.18 1.23 -0.19 0.00 0.00 0.00 0.00 60.65 61.87 1vbp s ILE 124 Cb -0.16 -3.97 -0.16 0.00 0.01 0.00 0.00 42.46 38.19 1vbp s ILE 124 CO 0.14 0.09 0.16 -0.33 0.00 0.00 0.00 174.94 175.00 1vbp h GLU 125 N 7.51 0.00 -2.74 2.79 4.39 -1.96 -3.46 114.58 121.11 1vbp h GLU 125 Ca -0.31 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.04 1vbp h GLU 125 Cb 1.14 0.00 -0.37 0.00 -0.10 0.00 0.00 28.75 29.42 1vbp h GLU 125 CO 0.78 0.79 -0.66 1.21 -1.16 0.00 0.00 179.01 179.98 1vbp s ASN 126 N -6.59 1.54 0.00 1.42 2.47 -1.26 -5.12 114.94 107.40 1vbp s ASN 126 Ca -0.25 -0.25 0.00 0.00 0.42 0.00 0.00 52.86 52.78 1vbp s ASN 126 Cb 0.05 0.20 0.00 0.00 -1.45 0.00 0.00 41.25 40.05 1vbp s ASN 126 CO 0.52 -0.32 0.00 0.61 -3.72 0.00 0.00 177.10 174.18 1vbp n GLY 127 N 5.31 2.62 3.17 1.21 0.00 -1.26 -5.01 105.19 111.23 1vbp n GLY 127 Ca -0.06 -1.59 -0.21 0.00 0.00 0.00 0.00 46.02 44.17 1vbp n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vbp s LEU 128 N 0.00 2.19 0.06 0.99 1.02 0.04 -4.99 118.68 117.99 1vbp s LEU 128 Ca 0.00 -0.50 -0.24 0.00 0.02 0.00 0.00 54.13 53.41 1vbp s LEU 128 Cb 0.00 -0.67 -0.06 0.00 0.02 0.00 0.00 46.19 45.48 1vbp s LEU 128 CO 0.00 0.04 0.74 -0.63 0.02 0.00 0.00 176.35 176.52 1vbp s ILE 129 N -0.90 4.69 0.00 -0.59 1.01 -1.26 -1.52 121.20 122.62 1vbp s ILE 129 Ca 0.02 1.57 0.00 0.00 0.00 0.00 0.00 60.65 62.25 1vbp s ILE 129 Cb -0.08 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.30 1vbp s ILE 129 CO 0.02 0.41 0.50 1.33 0.00 0.00 0.00 174.94 177.19 1vbp n VAL 130 N 2.52 0.19 -3.56 2.92 0.24 0.11 -4.33 118.33 116.43 1vbp n VAL 130 Ca -0.04 -0.23 -0.06 0.00 -2.04 0.00 0.00 64.34 61.97 1vbp n VAL 130 Cb 0.50 1.11 -0.02 0.00 -1.47 0.00 0.00 33.84 33.95 1vbp n VAL 130 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1vbp s GLY 131 N -0.19 -0.34 -0.10 7.63 0.00 -1.14 -1.24 107.32 111.93 1vbp s GLY 131 Ca 0.00 1.47 0.01 0.00 0.00 0.00 0.00 44.72 46.20 1vbp s GLY 131 CO 0.00 0.52 -0.12 -1.36 0.00 0.00 0.00 173.10 172.14 1vbp s PHE 132 N -2.52 1.70 0.39 1.90 0.08 -1.26 -0.55 117.98 117.73 1vbp s PHE 132 Ca 0.07 -0.78 0.08 0.00 0.12 0.00 0.00 56.93 56.41 1vbp s PHE 132 Cb -0.01 -1.28 -0.02 0.00 -0.57 0.00 0.00 43.02 41.15 1vbp s PHE 132 CO -0.06 -0.44 0.39 0.21 -0.10 0.00 0.00 175.22 175.22 1vbp s LYS 133 N 1.13 2.64 0.00 0.44 2.20 0.23 -1.24 119.74 125.15 1vbp s LYS 133 Ca -0.05 -1.41 0.00 0.00 -0.36 0.00 0.00 55.97 54.15 1vbp s LYS 133 Cb -0.14 -2.47 0.00 0.00 -1.51 0.00 0.00 37.83 33.70 1vbp s LYS 133 CO -0.03 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.25 1vbp n GLY 134 N -1.55 -2.27 2.81 5.54 0.00 -0.96 -0.36 105.19 108.41 1vbp n GLY 134 Ca 0.03 -1.25 -0.15 0.00 0.00 0.00 0.00 46.02 44.65 1vbp n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vbp s ARG 135 N -1.91 0.07 -0.03 1.61 0.52 -0.89 -1.27 118.95 117.05 1vbp s ARG 135 Ca 0.00 0.10 0.01 0.00 -0.52 0.00 0.00 55.73 55.32 1vbp s ARG 135 Cb 0.00 -0.25 0.03 0.00 0.52 0.00 0.00 34.95 35.24 1vbp s ARG 135 CO 0.00 -0.11 -0.01 0.99 0.02 0.00 0.00 175.30 176.19 1vbp s THR 136 N 0.76 0.28 0.00 0.02 2.01 0.62 0.43 115.64 119.75 1vbp s THR 136 Ca -0.07 0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.95 1vbp s THR 136 Cb -0.10 -0.35 0.00 0.00 0.01 0.00 0.00 72.50 72.06 1vbp s THR 136 CO -0.02 0.16 0.00 0.61 -0.69 0.00 0.00 174.62 174.69 1vbp n GLY 137 N 4.08 1.06 0.14 4.40 0.00 -1.26 -1.06 105.19 112.54 1vbp n GLY 137 Ca -0.26 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.74 1vbp n GLY 137 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1vbp h ASP 138 N 0.00 0.01 -1.98 1.61 5.19 -1.98 -3.47 116.42 115.80 1vbp h ASP 138 Ca 0.00 -0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 1vbp h ASP 138 Cb 0.00 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1vbp h ASP 138 CO 0.00 0.61 -0.03 0.00 -3.12 0.00 0.00 179.24 176.70 1vbp n LEU 139 N -3.83 0.00 -4.56 1.55 -0.00 -1.26 -3.72 117.00 105.18 1vbp n LEU 139 Ca -0.01 -0.49 -0.40 0.00 -0.00 0.00 0.00 56.01 55.11 1vbp n LEU 139 Cb 0.60 0.43 -0.03 0.00 -0.00 0.00 0.00 43.42 44.42 1vbp n LEU 139 CO 0.42 -0.11 1.44 -0.22 -0.00 0.00 0.00 177.39 178.92 1vbp s LEU 140 N 0.00 3.32 -0.00 1.47 2.96 -0.71 -4.43 118.68 121.29 1vbp s LEU 140 Ca 0.05 0.28 -0.13 0.00 -0.22 0.00 0.00 54.13 54.10 1vbp s LEU 140 Cb -0.00 -2.76 -0.07 0.00 0.50 0.00 0.00 46.19 43.86 1vbp s LEU 140 CO 0.04 -2.06 0.79 0.44 -1.32 0.00 0.00 176.35 174.23 1vbp h ASP 141 N 12.96 -0.41 -4.70 3.68 5.19 -0.32 -2.41 116.42 130.40 1vbp h ASP 141 Ca -0.27 0.01 -0.48 0.00 -0.62 0.00 0.00 57.03 55.67 1vbp h ASP 141 Cb 1.13 0.11 -0.12 0.00 0.18 0.00 0.00 39.33 40.62 1vbp h ASP 141 CO 1.20 -0.17 -0.44 0.00 -3.12 0.00 0.00 179.24 176.72 1vbp n ALA 142 N -2.44 0.61 -3.59 3.45 0.00 -0.61 -1.25 120.51 116.68 1vbp n ALA 142 Ca -0.06 -1.88 -0.14 0.00 0.00 0.00 0.00 53.44 51.36 1vbp n ALA 142 Cb 0.19 1.40 -0.07 0.00 0.00 0.00 0.00 19.45 20.97 1vbp n ALA 142 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1vbp s ILE 143 N -3.14 0.00 0.24 0.00 1.10 -0.16 -2.08 121.20 117.16 1vbp s ILE 143 Ca 0.29 -0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.44 1vbp s ILE 143 Cb 0.01 -0.96 -0.04 0.00 0.15 0.00 0.00 42.46 41.63 1vbp s ILE 143 CO 0.21 -0.00 0.18 -0.83 -2.11 0.00 0.00 174.94 172.38 1vbp s GLY 144 N 0.29 1.69 -0.02 1.50 0.00 0.52 -1.05 107.32 110.24 1vbp s GLY 144 Ca -0.01 -1.80 -0.06 0.00 0.00 0.00 0.00 44.72 42.85 1vbp s GLY 144 CO 0.01 -1.41 0.14 -0.26 0.00 0.00 0.00 173.10 171.58 1vbp s ILE 145 N -3.95 0.06 0.06 0.90 -4.36 -0.79 -0.60 121.20 112.52 1vbp s ILE 145 Ca 0.39 -0.48 -0.15 0.00 -0.26 0.00 0.00 60.65 60.16 1vbp s ILE 145 Cb 0.06 -0.36 -0.06 0.00 1.25 0.00 0.00 42.46 43.34 1vbp s ILE 145 CO 0.17 -0.26 0.46 -1.00 0.24 0.00 0.00 174.94 174.55 1vbp s HIS 146 N -0.92 3.70 0.11 1.37 3.76 0.29 -2.46 115.29 121.14 1vbp s HIS 146 Ca -0.10 1.03 0.03 0.00 -0.15 0.00 0.00 55.06 55.87 1vbp s HIS 146 Cb -0.06 -2.32 -0.04 0.00 1.11 0.00 0.00 32.58 31.27 1vbp s HIS 146 CO 0.01 0.57 -0.09 -1.64 -0.85 0.00 0.00 174.74 172.75 1vbp s MET 147 N -1.40 0.89 0.16 1.40 1.00 0.12 0.06 119.30 121.54 1vbp s MET 147 Ca 0.29 -1.29 -0.25 0.00 0.00 0.00 0.00 55.69 54.44 1vbp s MET 147 Cb -0.16 -0.42 0.06 0.00 0.00 0.00 0.00 34.83 34.30 1vbp s MET 147 CO 0.16 0.04 0.88 0.45 0.00 0.00 0.00 175.02 176.56 1vbp s SER 148 N -2.85 -0.24 0.00 3.03 0.15 -0.58 -2.86 113.70 110.36 1vbp s SER 148 Ca 0.11 -0.38 0.30 0.00 0.70 0.00 0.00 55.95 56.68 1vbp s SER 148 Cb 0.02 0.53 1.58 0.00 -1.71 0.00 0.00 66.02 66.44 1vbp s SER 148 CO -0.02 -0.96 2.04 0.18 1.20 0.00 0.00 173.24 175.68