#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tpg n TYR 2 N 0.00 -3.55 -3.69 1.43 4.01 -1.26 -5.07 117.16 109.03 1tpg n TYR 2 Ca 0.00 -0.56 -0.12 0.00 -0.16 0.00 0.00 57.90 57.06 1tpg n TYR 2 Cb 0.00 -0.62 -0.13 0.00 -0.31 0.00 0.00 39.34 38.29 1tpg n TYR 2 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1tpg s GLN 3 N -4.40 0.21 -0.39 -0.72 -1.52 -1.26 -5.09 119.66 106.49 1tpg s GLN 3 Ca 0.39 0.71 0.04 0.00 -1.95 0.00 0.00 55.36 54.56 1tpg s GLN 3 Cb -0.03 -0.03 0.16 0.00 -0.22 0.00 0.00 33.01 32.89 1tpg s GLN 3 CO 0.30 -0.23 0.45 0.54 -0.25 0.00 0.00 175.29 176.10 1tpg s VAL 4 N 1.93 -0.47 0.45 1.09 0.11 -1.26 -4.47 120.40 117.78 1tpg s VAL 4 Ca -0.04 -0.90 0.07 0.00 -2.93 0.00 0.00 61.98 58.17 1tpg s VAL 4 Cb -0.11 -0.52 -0.02 0.00 -1.53 0.00 0.00 36.38 34.20 1tpg s VAL 4 CO -0.09 -0.47 0.29 -0.63 -3.33 0.00 0.00 175.10 170.86 1tpg s ILE 5 N 1.37 2.17 0.00 7.04 1.09 -1.26 -4.79 121.20 126.82 1tpg s ILE 5 Ca 0.19 -1.56 0.00 0.00 -1.10 0.00 0.00 60.65 58.18 1tpg s ILE 5 Cb -0.11 -2.73 0.00 0.00 -1.06 0.00 0.00 42.46 38.56 1tpg s ILE 5 CO -0.04 0.00 0.00 0.00 -0.10 0.00 0.00 174.94 174.80 1tpg s ARG 7 N -0.66 2.02 0.01 0.00 3.52 -1.26 -1.67 118.95 120.91 1tpg s ARG 7 Ca 0.00 -2.18 0.01 0.00 -0.13 0.00 0.00 55.73 53.44 1tpg s ARG 7 Cb 0.00 -1.62 -0.01 0.00 -1.56 0.00 0.00 34.95 31.76 1tpg s ARG 7 CO 0.00 -0.13 -0.05 0.34 -0.81 0.00 0.00 175.30 174.65 1tpg s ASP 8 N -3.76 0.58 -0.04 -2.12 -1.08 0.04 -4.87 116.67 105.43 1tpg s ASP 8 Ca 0.28 -0.27 0.03 0.00 -0.52 0.00 0.00 52.55 52.07 1tpg s ASP 8 Cb 0.08 -0.01 -0.05 0.00 -1.46 0.00 0.00 42.92 41.48 1tpg s ASP 8 CO 0.14 -0.06 0.00 -0.62 0.52 0.00 0.00 175.17 175.15 1tpg n GLU 9 N 2.36 2.63 0.22 4.34 1.02 -1.26 -3.01 120.64 126.94 1tpg n GLU 9 Ca -0.17 0.01 -0.14 0.00 -0.02 0.00 0.00 57.16 56.83 1tpg n GLU 9 Cb 0.57 -1.10 -0.08 0.00 -0.02 0.00 0.00 31.44 30.81 1tpg n GLU 9 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1tpg h LYS 10 N 0.00 -0.54 0.00 3.49 3.64 -1.96 -3.02 116.57 118.18 1tpg h LYS 10 Ca -0.11 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1tpg h LYS 10 Cb 1.23 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1tpg h LYS 10 CO 0.00 -0.24 -0.10 0.00 -2.27 0.00 0.00 179.45 176.84 1tpg h THR 11 N -0.81 0.00 -4.09 1.00 1.03 -1.95 -3.47 112.91 104.62 1tpg h THR 11 Ca -0.06 -0.93 -0.18 0.00 -0.01 0.00 0.00 66.41 65.23 1tpg h THR 11 Cb 0.54 1.88 0.10 0.00 -1.07 0.00 0.00 68.15 69.60 1tpg h THR 11 CO 0.09 0.00 -0.44 0.00 -0.01 0.00 0.00 175.52 175.17 1tpg n GLN 12 N -2.95 -3.44 -3.85 0.00 1.13 -1.14 -5.05 117.38 102.08 1tpg n GLN 12 Ca 0.04 0.48 -0.12 0.00 -1.94 0.00 0.00 57.00 55.46 1tpg n GLN 12 Cb 0.52 -4.34 -0.11 0.00 0.11 0.00 0.00 30.24 26.42 1tpg n GLN 12 CO 0.00 0.00 0.00 1.41 -1.44 0.00 0.00 177.06 177.03 1tpg s MET 13 N -4.65 0.34 0.12 -1.09 1.75 -1.16 -4.99 119.30 109.61 1tpg s MET 13 Ca 0.03 -0.12 0.01 0.00 -1.25 0.00 0.00 55.69 54.36 1tpg s MET 13 Cb -0.00 0.14 -0.04 0.00 2.84 0.00 0.00 34.83 37.77 1tpg s MET 13 CO 0.41 -0.07 0.28 -1.50 -0.65 0.00 0.00 175.02 173.49 1tpg s ILE 14 N -0.69 5.33 -0.03 10.11 2.07 -1.26 -0.78 121.20 135.95 1tpg s ILE 14 Ca -0.08 -0.52 0.01 0.00 -1.41 0.00 0.00 60.65 58.65 1tpg s ILE 14 Cb -0.05 -3.70 0.03 0.00 0.13 0.00 0.00 42.46 38.87 1tpg s ILE 14 CO 0.01 -0.02 -0.01 -0.31 -1.91 0.00 0.00 174.94 172.70 1tpg s TYR 15 N -1.68 0.39 0.13 3.50 2.02 -0.67 -4.93 117.35 116.12 1tpg s TYR 15 Ca 0.35 -0.04 -0.01 0.00 -0.37 0.00 0.00 57.07 57.00 1tpg s TYR 15 Cb -0.12 -0.45 0.03 0.00 -0.40 0.00 0.00 41.96 41.02 1tpg s TYR 15 CO 0.28 -0.14 0.18 0.00 -1.57 0.00 0.00 175.55 174.30 1tpg n GLN 16 N 4.08 0.10 -1.56 -0.62 10.64 -1.26 -4.16 117.38 124.60 1tpg n GLN 16 Ca -0.27 -0.35 -0.42 0.00 -1.83 0.00 0.00 57.00 54.13 1tpg n GLN 16 Cb 0.51 -0.16 0.00 0.00 -0.86 0.00 0.00 30.24 29.73 1tpg n GLN 16 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 1tpg n GLN 17 N -1.36 1.10 -3.81 2.61 7.27 -1.26 -3.02 117.38 118.91 1tpg n GLN 17 Ca 0.02 0.39 -0.35 0.00 0.07 0.00 0.00 57.00 57.14 1tpg n GLN 17 Cb 0.09 -1.82 0.03 0.00 2.41 0.00 0.00 30.24 30.95 1tpg n GLN 17 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1tpg n HIS 18 N -0.39 -1.74 -4.52 3.69 8.25 -1.26 -4.99 115.22 114.26 1tpg n HIS 18 Ca 0.10 0.37 -0.23 0.00 -0.26 0.00 0.00 57.72 57.70 1tpg n HIS 18 Cb 0.37 -3.27 -0.05 0.00 1.12 0.00 0.00 29.99 28.16 1tpg n HIS 18 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1tpg n GLN 19 N -4.44 1.14 -3.63 -0.41 1.13 -1.17 -4.92 117.38 105.07 1tpg n GLN 19 Ca -0.11 -2.59 -0.15 0.00 -1.94 0.00 0.00 57.00 52.20 1tpg n GLN 19 Cb 0.59 0.69 -0.07 0.00 0.11 0.00 0.00 30.24 31.56 1tpg n GLN 19 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1tpg s SER 20 N -2.96 -0.42 0.37 1.08 1.04 -1.26 -0.69 113.70 110.86 1tpg s SER 20 Ca 0.00 0.35 -0.12 0.00 0.48 0.00 0.00 55.95 56.66 1tpg s SER 20 Cb -0.00 0.43 0.04 0.00 0.10 0.00 0.00 66.02 66.59 1tpg s SER 20 CO 0.00 -0.56 0.69 -1.66 0.98 0.00 0.00 173.24 172.69 1tpg s TRP 21 N -1.50 0.38 0.03 5.02 -2.14 -0.69 -4.99 118.94 115.06 1tpg s TRP 21 Ca -0.11 -0.92 0.05 0.00 2.66 0.00 0.00 56.10 57.78 1tpg s TRP 21 Cb -0.02 0.56 -0.03 0.00 -3.10 0.00 0.00 33.47 30.88 1tpg s TRP 21 CO 0.05 -1.43 -0.12 -0.51 -2.66 0.00 0.00 176.95 172.28 1tpg s LEU 22 N -3.11 2.90 -0.50 -4.66 1.43 -1.26 -1.90 118.68 111.58 1tpg s LEU 22 Ca 0.20 -0.30 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 1tpg s LEU 22 Cb -0.04 -1.69 0.15 0.00 0.03 0.00 0.00 46.19 44.65 1tpg s LEU 22 CO 0.14 0.26 0.33 -0.60 0.23 0.00 0.00 176.35 176.71 1tpg s ARG 23 N -1.53 1.49 0.45 1.70 3.52 -0.87 -4.95 118.95 118.76 1tpg s ARG 23 Ca 0.17 -2.38 -0.23 0.00 -0.13 0.00 0.00 55.73 53.16 1tpg s ARG 23 Cb -0.11 -2.37 -0.10 0.00 -1.56 0.00 0.00 34.95 30.81 1tpg s ARG 23 CO 0.07 -1.25 0.96 -2.30 -0.81 0.00 0.00 175.30 171.96 1tpg n PRO 24 N 2.95 1.21 -0.16 5.12 -0.02 -1.26 -2.39 135.00 140.44 1tpg n PRO 24 Ca 0.17 0.44 -0.01 0.00 -2.02 0.00 0.00 63.50 62.08 1tpg n PRO 24 Cb 0.38 -2.01 0.01 0.00 -0.02 0.00 0.00 33.50 31.86 1tpg n PRO 24 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1tpg n VAL 25 N -0.71 0.00 0.00 -1.45 3.14 -0.92 -4.87 118.33 113.52 1tpg n VAL 25 Ca 0.10 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 1tpg n VAL 25 Cb 0.40 -1.88 0.00 0.00 -1.06 0.00 0.00 33.84 31.30 1tpg n VAL 25 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1tpg n LEU 26 N 0.00 0.00 -0.00 6.55 -0.00 -1.26 -4.91 117.00 117.38 1tpg n LEU 26 Ca 0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.96 1tpg n LEU 26 Cb 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.32 1tpg n LEU 26 CO 0.01 0.00 -0.42 0.03 -0.00 0.00 0.00 177.39 177.02 1tpg h ARG 27 N 0.00 0.00 0.00 1.47 3.08 -1.98 -3.41 114.38 113.53 1tpg h ARG 27 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1tpg h ARG 27 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1tpg h ARG 27 CO 0.00 0.45 0.00 0.43 -1.07 0.00 0.00 179.97 179.78 1tpg n SER 28 N -3.01 0.00 0.00 7.04 7.64 -1.26 -4.92 113.62 119.10 1tpg n SER 28 Ca -0.14 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1tpg n SER 28 Cb 0.98 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.18 1tpg n SER 28 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1tpg n ASN 29 N -0.93 0.00 -3.50 6.43 0.23 -1.26 -5.15 115.26 111.08 1tpg n ASN 29 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.94 1tpg n ASN 29 Cb 0.00 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 37.74 1tpg n ASN 29 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 1tpg n ARG 30 N 0.00 0.61 -4.18 -3.83 1.85 -1.26 -4.56 116.66 105.28 1tpg n ARG 30 Ca 0.00 -1.60 -0.12 0.00 -1.00 0.00 0.00 57.85 55.13 1tpg n ARG 30 Cb 0.00 -0.20 -0.09 0.00 -1.05 0.00 0.00 32.46 31.12 1tpg n ARG 30 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1tpg s VAL 31 N -1.12 0.00 0.07 8.89 -7.23 -1.08 -2.15 120.40 117.78 1tpg s VAL 31 Ca 0.33 -1.94 0.08 0.00 -1.81 0.00 0.00 61.98 58.65 1tpg s VAL 31 Cb -0.02 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.41 1tpg s VAL 31 CO 0.22 0.00 -0.21 -1.61 -0.31 0.00 0.00 175.10 173.19 1tpg s GLU 32 N -4.09 1.87 -0.66 4.82 2.02 -1.01 -1.15 118.70 120.51 1tpg s GLU 32 Ca 0.37 -1.09 -0.15 0.00 0.02 0.00 0.00 54.97 54.12 1tpg s GLU 32 Cb 0.06 -2.10 0.16 0.00 0.10 0.00 0.00 34.13 32.36 1tpg s GLU 32 CO 0.13 0.51 0.62 -0.47 0.02 0.00 0.00 175.26 176.07 1tpg s TYR 33 N -0.97 3.44 -0.58 1.61 5.04 -1.00 -2.04 117.35 122.86 1tpg s TYR 33 Ca 0.15 -1.55 -0.23 0.00 -2.44 0.00 0.00 57.07 53.00 1tpg s TYR 33 Cb -0.10 -3.82 0.05 0.00 0.35 0.00 0.00 41.96 38.44 1tpg s TYR 33 CO 0.06 -1.03 0.89 0.00 -1.34 0.00 0.00 175.55 174.13 1tpg s TRP 35 N 3.73 3.26 0.34 0.00 -0.00 -0.97 -1.70 118.94 123.60 1tpg s TRP 35 Ca 0.25 -1.17 -0.25 0.00 -0.00 0.00 0.00 56.10 54.92 1tpg s TRP 35 Cb -0.15 -2.46 -0.14 0.00 -0.00 0.00 0.00 33.47 30.72 1tpg s TRP 35 CO 0.15 -0.70 0.59 0.00 -0.00 0.00 0.00 176.95 176.99 1tpg n ASN 37 N 1.56 -1.53 -1.46 0.00 5.15 -1.26 -4.24 115.26 113.48 1tpg n ASN 37 Ca 0.13 -2.89 -0.12 0.00 -0.60 0.00 0.00 54.58 51.10 1tpg n ASN 37 Cb 0.34 0.59 0.00 0.00 -0.53 0.00 0.00 39.78 40.18 1tpg n ASN 37 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1tpg n SER 38 N 1.93 -3.83 0.00 1.20 7.64 -1.26 -2.33 113.62 116.97 1tpg n SER 38 Ca 0.18 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1tpg n SER 38 Cb 0.56 -2.95 0.00 0.00 -1.01 0.00 0.00 64.21 60.81 1tpg n SER 38 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tpg n GLY 39 N -1.06 0.49 0.08 0.23 0.00 -1.26 -4.93 105.19 98.74 1tpg n GLY 39 Ca -0.11 -0.72 -0.03 0.00 0.00 0.00 0.00 46.02 45.16 1tpg n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tpg n ARG 40 N -2.87 0.65 -2.68 1.61 5.12 -0.98 -4.99 116.66 112.52 1tpg n ARG 40 Ca 0.00 0.08 -0.03 0.00 -1.93 0.00 0.00 57.85 55.97 1tpg n ARG 40 Cb 0.00 -1.66 -0.03 0.00 -1.16 0.00 0.00 32.46 29.62 1tpg n ARG 40 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1tpg n ALA 41 N -2.52 -3.51 -3.07 7.54 0.00 -1.26 -4.85 120.51 112.84 1tpg n ALA 41 Ca -0.18 1.54 -0.45 0.00 0.00 0.00 0.00 53.44 54.35 1tpg n ALA 41 Cb 0.94 -3.04 -0.01 0.00 0.00 0.00 0.00 19.45 17.34 1tpg n ALA 41 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1tpg s GLN 42 N -1.06 3.85 0.42 0.00 -1.52 -0.82 -4.86 119.66 115.68 1tpg s GLN 42 Ca -0.16 -2.37 0.08 0.00 -1.95 0.00 0.00 55.36 50.96 1tpg s GLN 42 Cb 0.01 -4.83 0.00 0.00 -0.22 0.00 0.00 33.01 27.98 1tpg s GLN 42 CO 0.75 -1.61 0.52 0.00 -0.25 0.00 0.00 175.29 174.71 1tpg s HIS 44 N -2.38 -0.06 0.56 0.00 -3.43 -1.25 -4.86 115.29 103.86 1tpg s HIS 44 Ca 0.53 0.16 -0.21 0.00 -0.80 0.00 0.00 55.06 54.75 1tpg s HIS 44 Cb -0.08 0.48 -0.04 0.00 -1.43 0.00 0.00 32.58 31.50 1tpg s HIS 44 CO 0.32 -0.03 1.26 -1.54 -2.00 0.00 0.00 174.74 172.75 1tpg s SER 45 N 0.03 5.33 -0.17 7.38 1.04 -1.26 -2.37 113.70 123.68 1tpg s SER 45 Ca 0.07 2.54 -0.18 0.00 0.48 0.00 0.00 55.95 58.87 1tpg s SER 45 Cb -0.05 -2.62 0.05 0.00 0.10 0.00 0.00 66.02 63.50 1tpg s SER 45 CO -0.16 -1.51 0.49 0.68 0.98 0.00 0.00 173.24 173.73 1tpg s VAL 46 N -1.45 0.00 0.58 5.02 -7.23 -0.30 -4.93 120.40 112.09 1tpg s VAL 46 Ca 0.73 -0.03 -0.20 0.00 -1.81 0.00 0.00 61.98 60.67 1tpg s VAL 46 Cb -0.35 -0.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.85 1tpg s VAL 46 CO 0.39 -0.02 1.28 -2.16 -0.31 0.00 0.00 175.10 174.29 1tpg s PRO 47 N 0.10 3.01 0.26 4.82 0.04 -1.26 -2.64 135.00 139.33 1tpg s PRO 47 Ca -0.01 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.08 1tpg s PRO 47 Cb -0.03 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1tpg s PRO 47 CO 0.01 -1.23 0.16 0.14 0.04 0.00 0.00 177.00 176.12 1tpg s VAL 48 N -1.43 0.16 0.13 -0.36 -7.23 -1.26 -2.63 120.40 107.77 1tpg s VAL 48 Ca 0.75 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.91 1tpg s VAL 48 Cb -0.36 -2.52 0.01 0.00 0.56 0.00 0.00 36.38 34.07 1tpg s VAL 48 CO 0.40 0.00 0.19 2.29 -0.31 0.00 0.00 175.10 177.67 1tpg n LYS 49 N -0.44 0.27 -3.17 4.82 2.85 -0.88 -4.85 118.16 116.76 1tpg n LYS 49 Ca 0.02 -0.96 -0.38 0.00 -1.05 0.00 0.00 58.31 55.94 1tpg n LYS 49 Cb 0.65 0.95 -0.06 0.00 -0.65 0.00 0.00 35.03 35.93 1tpg n LYS 49 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1tpg s SER 50 N -1.76 7.16 1.10 -5.58 0.01 -1.26 -1.71 113.70 111.66 1tpg s SER 50 Ca 0.10 1.40 -0.18 0.00 1.31 0.00 0.00 55.95 58.57 1tpg s SER 50 Cb -0.01 -2.41 0.10 0.00 0.21 0.00 0.00 66.02 63.91 1tpg s SER 50 CO 0.07 0.23 0.08 0.00 0.41 0.00 0.00 173.24 174.02 1tpg h SER 52 N -2.00 0.55 -4.10 0.00 0.87 -1.96 -3.44 113.55 103.47 1tpg h SER 52 Ca -0.52 -0.28 -0.30 0.00 -1.23 0.00 0.00 61.79 59.45 1tpg h SER 52 Cb 1.35 -0.16 -0.27 0.00 -0.44 0.00 0.00 62.40 62.88 1tpg h SER 52 CO 0.38 0.97 -0.75 -1.61 -0.53 0.00 0.00 176.83 175.29 1tpg s GLU 53 N -4.03 0.41 -0.70 2.24 2.02 -1.26 -5.07 118.70 112.31 1tpg s GLU 53 Ca -0.07 -0.30 -0.26 0.00 0.02 0.00 0.00 54.97 54.36 1tpg s GLU 53 Cb 0.12 -0.34 -0.06 0.00 0.10 0.00 0.00 34.13 33.94 1tpg s GLU 53 CO 0.83 0.09 2.12 -1.25 0.02 0.00 0.00 175.26 177.06 1tpg s PRO 54 N -0.45 2.28 0.37 0.39 0.04 -1.26 -4.77 135.00 131.60 1tpg s PRO 54 Ca -0.01 0.53 0.18 0.00 0.04 0.00 0.00 61.00 61.74 1tpg s PRO 54 Cb -0.04 -4.69 0.66 0.00 0.04 0.00 0.00 34.50 30.47 1tpg s PRO 54 CO -0.00 -3.37 1.73 0.00 0.04 0.00 0.00 177.00 175.40 1tpg h ARG 55 N 14.62 0.00 -5.98 4.56 3.08 -1.94 -3.42 114.38 125.30 1tpg h ARG 55 Ca -0.11 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.37 1tpg h ARG 55 Cb 1.11 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.10 1tpg h ARG 55 CO 1.16 0.38 -0.02 0.00 -1.07 0.00 0.00 179.97 180.42 1tpg n PHE 57 N 3.25 -0.64 -1.48 0.00 3.72 -0.84 -4.27 117.46 117.19 1tpg n PHE 57 Ca -0.05 -1.18 -0.16 0.00 -0.05 0.00 0.00 57.45 56.00 1tpg n PHE 57 Cb 0.51 -0.21 -0.07 0.00 -0.94 0.00 0.00 39.48 38.77 1tpg n PHE 57 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1tpg n ASN 58 N -1.73 -5.22 0.00 4.37 4.13 -1.26 -2.14 115.26 113.42 1tpg n ASN 58 Ca -0.03 0.41 0.00 0.00 1.68 0.00 0.00 54.58 56.63 1tpg n ASN 58 Cb 0.31 -4.16 0.00 0.00 -1.54 0.00 0.00 39.78 34.39 1tpg n ASN 58 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1tpg n GLY 59 N -0.64 2.29 3.48 7.41 0.00 -1.26 -4.90 105.19 111.57 1tpg n GLY 59 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1tpg n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tpg n GLY 60 N -0.45 -1.67 2.80 -0.02 0.00 -0.91 -4.80 105.19 100.14 1tpg n GLY 60 Ca 0.00 -0.90 -0.16 0.00 0.00 0.00 0.00 46.02 44.95 1tpg n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tpg s THR 61 N -2.43 0.10 0.19 2.61 2.01 -0.66 -4.57 115.64 112.88 1tpg s THR 61 Ca 0.64 0.13 -0.16 0.00 0.31 0.00 0.00 61.69 62.61 1tpg s THR 61 Cb -0.21 -0.21 -0.08 0.00 0.01 0.00 0.00 72.50 72.01 1tpg s THR 61 CO 0.64 0.13 0.63 0.00 -0.69 0.00 0.00 174.62 175.32 1tpg s GLN 63 N -2.10 0.50 0.02 0.00 -0.21 -0.99 -2.55 119.66 114.34 1tpg s GLN 63 Ca 0.42 -0.02 0.08 0.00 0.02 0.00 0.00 55.36 55.85 1tpg s GLN 63 Cb -0.15 -0.59 -0.02 0.00 1.00 0.00 0.00 33.01 33.25 1tpg s GLN 63 CO 0.20 -0.08 -0.23 -1.14 -2.12 0.00 0.00 175.29 171.91 1tpg s GLN 64 N 0.82 1.71 0.76 2.91 0.74 -0.70 -1.84 119.66 124.06 1tpg s GLN 64 Ca -0.09 -0.95 -0.13 0.00 0.05 0.00 0.00 55.36 54.24 1tpg s GLN 64 Cb -0.12 -1.77 0.05 0.00 1.10 0.00 0.00 33.01 32.27 1tpg s GLN 64 CO -0.01 0.47 1.14 0.00 -0.55 0.00 0.00 175.29 176.34 1tpg s ALA 65 N -0.70 2.12 0.17 1.58 0.00 -0.96 -2.08 121.76 121.88 1tpg s ALA 65 Ca 0.09 0.60 0.05 0.00 0.00 0.00 0.00 51.96 52.70 1tpg s ALA 65 Cb -0.09 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.66 1tpg s ALA 65 CO 0.01 -1.87 1.40 1.25 0.00 0.00 0.00 175.76 176.55 1tpg h LEU 66 N -0.71 0.13 0.00 0.00 6.46 -1.83 -3.39 115.31 115.98 1tpg h LEU 66 Ca -0.46 -0.11 -0.23 0.00 -0.12 0.00 0.00 57.88 56.96 1tpg h LEU 66 Cb 1.26 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 41.11 1tpg h LEU 66 CO 0.50 0.93 -1.87 -1.22 -0.62 0.00 0.00 178.44 176.16 1tpg n TYR 67 N -3.60 0.00 -3.02 1.25 4.01 -1.26 -5.02 117.16 109.51 1tpg n TYR 67 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1tpg n TYR 67 Cb 0.81 -0.61 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 1tpg n TYR 67 CO 0.00 0.00 0.00 1.97 -0.46 0.00 0.00 176.86 178.37 1tpg n PHE 68 N -2.64 -2.69 -0.12 -0.72 -1.74 -1.26 -5.01 117.46 103.27 1tpg n PHE 68 Ca -0.23 0.00 0.05 0.00 -0.56 0.00 0.00 57.45 56.71 1tpg n PHE 68 Cb 0.86 0.00 0.12 0.00 1.52 0.00 0.00 39.48 41.99 1tpg n PHE 68 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1tpg n SER 69 N -2.76 2.71 -4.74 5.98 2.88 -1.26 -4.54 113.62 111.88 1tpg n SER 69 Ca 0.00 -1.97 -0.41 0.00 -1.33 0.00 0.00 58.87 55.16 1tpg n SER 69 Cb 0.00 -0.18 -0.03 0.00 -0.75 0.00 0.00 64.21 63.25 1tpg n SER 69 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1tpg s ASP 70 N -0.99 7.05 0.02 -3.46 -1.08 -1.26 -4.88 116.67 112.07 1tpg s ASP 70 Ca 0.19 2.32 0.01 0.00 -0.52 0.00 0.00 52.55 54.54 1tpg s ASP 70 Cb 0.10 -2.62 -0.02 0.00 -1.46 0.00 0.00 42.92 38.93 1tpg s ASP 70 CO 0.13 -0.38 -0.04 0.72 0.52 0.00 0.00 175.17 176.12 1tpg s PHE 71 N -0.33 0.32 0.12 -5.34 -0.71 -1.26 -2.28 117.98 108.51 1tpg s PHE 71 Ca 0.52 -0.40 0.08 0.00 -1.04 0.00 0.00 56.93 56.09 1tpg s PHE 71 Cb -0.34 -0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 41.22 1tpg s PHE 71 CO 0.39 -0.12 -0.12 0.54 -1.34 0.00 0.00 175.22 174.58 1tpg s VAL 72 N -1.09 3.21 -0.15 -2.49 0.11 -0.77 -4.93 120.40 114.29 1tpg s VAL 72 Ca -0.11 -1.41 0.02 0.00 -2.93 0.00 0.00 61.98 57.55 1tpg s VAL 72 Cb -0.08 -2.51 0.01 0.00 -1.53 0.00 0.00 36.38 32.27 1tpg s VAL 72 CO -0.00 0.06 -0.20 0.00 -3.33 0.00 0.00 175.10 171.62 1tpg s GLN 74 N 1.05 3.54 -0.37 0.00 -0.21 -0.91 -4.95 119.66 117.80 1tpg s GLN 74 Ca -0.02 -0.28 -0.03 0.00 0.02 0.00 0.00 55.36 55.05 1tpg s GLN 74 Cb -0.14 -2.88 0.19 0.00 1.00 0.00 0.00 33.01 31.18 1tpg s GLN 74 CO -0.07 0.46 0.95 0.00 -2.12 0.00 0.00 175.29 174.51 1tpg n PRO 76 N 3.37 0.67 0.00 0.00 -0.04 -1.26 -4.40 135.00 133.35 1tpg n PRO 76 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1tpg n PRO 76 Cb 0.62 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 1tpg n PRO 76 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1tpg n GLU 77 N -0.23 0.00 0.00 0.54 -0.58 -1.26 -4.29 120.64 114.82 1tpg n GLU 77 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1tpg n GLU 77 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1tpg n GLU 77 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1tpg n GLY 78 N 0.00 1.07 0.00 0.62 0.00 -1.26 -5.07 105.19 100.55 1tpg n GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1tpg n GLY 78 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1tpg n PHE 79 N -0.59 0.00 -3.71 1.61 3.72 -1.26 -4.90 117.46 112.34 1tpg n PHE 79 Ca 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 1tpg n PHE 79 Cb 0.00 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.49 1tpg n PHE 79 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1tpg s ALA 80 N -2.52 -0.69 0.00 4.37 0.00 -0.33 -4.98 121.76 117.62 1tpg s ALA 80 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.71 1tpg s ALA 80 Cb 0.00 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.74 1tpg s ALA 80 CO 0.00 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.57 1tpg n GLY 81 N -0.17 1.63 0.21 0.00 0.00 -1.26 -2.54 105.19 103.06 1tpg n GLY 81 Ca -0.16 -1.80 -0.09 0.00 0.00 0.00 0.00 46.02 43.97 1tpg n GLY 81 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1tpg h LYS 82 N 0.00 0.68 -0.01 1.61 1.63 -2.00 -1.78 116.57 116.70 1tpg h LYS 82 Ca 0.00 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 1tpg h LYS 82 Cb 0.00 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.53 1tpg h LYS 82 CO 0.00 0.63 -0.02 -1.13 -3.45 0.00 0.00 179.45 175.48 1tpg n SER 83 N -4.58 0.89 -1.53 4.20 3.41 -1.26 -4.46 113.62 110.29 1tpg n SER 83 Ca 0.01 -1.22 -0.17 0.00 -0.26 0.00 0.00 58.87 57.23 1tpg n SER 83 Cb 0.16 -0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.06 1tpg n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tpg n GLU 85 N -2.55 0.08 -3.29 0.00 0.28 -1.22 -4.41 120.64 109.53 1tpg n GLU 85 Ca -0.18 0.32 -0.45 0.00 -0.16 0.00 0.00 57.16 56.69 1tpg n GLU 85 Cb 0.60 -1.65 -0.06 0.00 1.43 0.00 0.00 31.44 31.76 1tpg n GLU 85 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1tpg s ILE 86 N -3.13 5.13 -0.20 3.84 -1.09 -1.05 -5.00 121.20 119.70 1tpg s ILE 86 Ca 0.06 -1.20 -0.09 0.00 -2.23 0.00 0.00 60.65 57.18 1tpg s ILE 86 Cb 0.09 -4.29 -0.05 0.00 -1.58 0.00 0.00 42.46 36.64 1tpg s ILE 86 CO 0.31 -0.81 0.10 -1.81 -1.23 0.00 0.00 174.94 171.50 1tpg s ASP 87 N 3.22 5.90 -0.01 3.58 1.01 -1.26 -1.19 116.67 127.92 1tpg s ASP 87 Ca 0.06 0.13 0.02 0.00 0.71 0.00 0.00 52.55 53.46 1tpg s ASP 87 Cb -0.26 -2.03 -0.02 0.00 1.01 0.00 0.00 42.92 41.61 1tpg s ASP 87 CO 0.05 0.15 0.03 1.07 0.21 0.00 0.00 175.17 176.68 1tpg n THR 88 N 3.71 0.04 0.02 -1.27 5.66 -1.26 -4.71 114.28 116.48 1tpg n THR 88 Ca -0.16 -0.05 -0.12 0.00 -3.05 0.00 0.00 64.05 60.68 1tpg n THR 88 Cb 0.52 -0.03 -0.09 0.00 -1.55 0.00 0.00 70.33 69.18 1tpg n THR 88 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 1tpg h ARG 89 N 0.00 -0.14 -6.61 1.09 1.12 -1.91 -3.44 114.38 104.49 1tpg h ARG 89 Ca -0.01 0.01 -0.51 0.00 -1.11 0.00 0.00 59.98 58.36 1tpg h ARG 89 Cb 0.43 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.42 1tpg h ARG 89 CO 0.00 0.37 -0.07 0.00 -3.11 0.00 0.00 179.97 177.16 1tpg s ALA 90 N -3.67 3.55 -1.09 2.80 0.00 -1.26 -5.22 121.76 116.87 1tpg s ALA 90 Ca -0.14 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1tpg s ALA 90 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.74 1tpg s ALA 90 CO 0.54 0.10 0.27 2.41 0.00 0.00 0.00 175.76 179.09