#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hty s SER 24 N 0.00 6.64 0.00 0.00 0.15 -1.26 -4.91 113.70 114.32 3hty s SER 24 Ca 0.00 1.03 0.26 0.00 0.70 0.00 0.00 55.95 57.94 3hty s SER 24 Cb 0.00 -2.27 0.72 0.00 -1.71 0.00 0.00 66.02 62.76 3hty s SER 24 CO 0.00 -0.15 1.56 0.00 1.20 0.00 0.00 173.24 175.84 3hty n ILE 25 N -0.38 0.00 -1.98 6.45 3.06 -1.26 -4.88 119.36 120.37 3hty n ILE 25 Ca 0.01 -0.01 -0.42 0.00 -2.50 0.00 0.00 62.75 59.83 3hty n ILE 25 Cb 0.53 0.09 -0.03 0.00 0.54 0.00 0.00 39.64 40.77 3hty n ILE 25 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3hty s VAL 26 N -2.93 3.15 -5.00 9.51 1.01 -1.26 -4.83 120.40 120.05 3hty s VAL 26 Ca 0.14 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.71 3hty s VAL 26 Cb 0.18 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 33.18 3hty s VAL 26 CO 0.64 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.35 3hty n GLY 27 N 3.93 0.13 3.60 4.51 0.00 -1.26 -5.03 105.19 111.08 3hty n GLY 27 Ca 0.15 -1.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.12 3hty n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hty s SER 28 N -3.12 5.38 -0.18 1.61 0.01 -1.26 -4.41 113.70 111.73 3hty s SER 28 Ca 0.00 0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.30 3hty s SER 28 Cb 0.00 -1.89 0.02 0.00 0.21 0.00 0.00 66.02 64.36 3hty s SER 28 CO 0.00 0.19 -0.18 0.26 0.41 0.00 0.00 173.24 173.92 3hty s TRP 29 N 0.28 2.66 0.09 2.43 0.52 -0.49 -0.27 118.94 124.16 3hty s TRP 29 Ca 0.01 -1.58 0.02 0.00 0.02 0.00 0.00 56.10 54.57 3hty s TRP 29 Cb -0.13 -1.84 -0.04 0.00 -1.15 0.00 0.00 33.47 30.31 3hty s TRP 29 CO 0.01 -0.78 -0.08 0.14 0.02 0.00 0.00 176.95 176.26 3hty s VAL 30 N 1.33 0.75 0.08 4.03 -7.23 -0.09 -0.97 120.40 118.30 3hty s VAL 30 Ca 0.04 -1.72 0.05 0.00 -1.81 0.00 0.00 61.98 58.54 3hty s VAL 30 Cb -0.13 -1.42 -0.03 0.00 0.56 0.00 0.00 36.38 35.35 3hty s VAL 30 CO -0.12 -0.71 -0.14 -1.83 -0.31 0.00 0.00 175.10 171.99 3hty s GLU 31 N -3.19 0.87 0.64 4.82 -1.05 0.25 -0.70 118.70 120.34 3hty s GLU 31 Ca 0.07 -1.03 -0.17 0.00 -0.15 0.00 0.00 54.97 53.68 3hty s GLU 31 Cb 0.01 -0.84 -0.01 0.00 -0.44 0.00 0.00 34.13 32.85 3hty s GLU 31 CO -0.02 0.18 1.18 -2.14 0.95 0.00 0.00 175.26 175.40 3hty s PRO 32 N -2.01 2.75 -0.26 -4.83 0.02 -1.26 -0.68 135.00 128.73 3hty s PRO 32 Ca 0.01 1.70 -0.18 0.00 0.02 0.00 0.00 61.00 62.55 3hty s PRO 32 Cb -0.08 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.50 3hty s PRO 32 CO 0.02 -1.35 0.53 0.08 -0.33 0.00 0.00 177.00 175.94 3hty s VAL 33 N -1.86 5.06 0.28 3.83 1.01 -0.45 -4.75 120.40 123.52 3hty s VAL 33 Ca 0.74 0.91 -0.30 0.00 0.00 0.00 0.00 61.98 63.33 3hty s VAL 33 Cb -0.28 -3.84 -0.12 0.00 0.00 0.00 0.00 36.38 32.15 3hty s VAL 33 CO 0.37 0.08 1.55 -2.65 0.00 0.00 0.00 175.10 174.46 3hty n PRO 34 N 5.52 2.55 -0.64 2.72 -0.02 -1.26 -2.14 135.00 141.72 3hty n PRO 34 Ca -0.04 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 3hty n PRO 34 Cb 0.50 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 3hty n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hty n GLY 35 N 2.16 1.17 3.14 -1.23 0.00 -1.26 -4.98 105.19 104.20 3hty n GLY 35 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 3hty n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hty s LEU 36 N 0.00 3.26 0.25 0.99 1.43 -0.91 -5.08 118.68 118.61 3hty s LEU 36 Ca 0.00 -1.08 -0.31 0.00 -1.03 0.00 0.00 54.13 51.71 3hty s LEU 36 Cb 0.00 -1.61 -0.13 0.00 0.03 0.00 0.00 46.19 44.48 3hty s LEU 36 CO 0.00 -0.15 1.51 -0.62 0.23 0.00 0.00 176.35 177.32 3hty n GLU 37 N 4.58 2.33 -1.60 1.70 1.02 -1.26 -2.91 120.64 124.49 3hty n GLU 37 Ca -0.16 0.83 -0.18 0.00 -0.02 0.00 0.00 57.16 57.64 3hty n GLU 37 Cb 0.45 -2.56 -0.07 0.00 -0.02 0.00 0.00 31.44 29.25 3hty n GLU 37 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hty n GLY 38 N 2.42 1.51 3.23 0.62 0.00 -1.26 -5.00 105.19 106.71 3hty n GLY 38 Ca 0.11 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 3hty n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hty s GLN 39 N -3.65 1.92 0.25 1.61 -0.21 -1.15 -5.10 119.66 113.33 3hty s GLN 39 Ca 0.00 -0.78 0.03 0.00 0.02 0.00 0.00 55.36 54.63 3hty s GLN 39 Cb 0.00 -1.78 -0.05 0.00 1.00 0.00 0.00 33.01 32.18 3hty s GLN 39 CO 0.00 0.43 0.03 0.14 -2.12 0.00 0.00 175.29 173.77 3hty s VAL 40 N -0.38 0.96 0.05 1.09 -7.23 -1.26 -1.34 120.40 112.28 3hty s VAL 40 Ca 0.05 -2.02 -0.15 0.00 -1.81 0.00 0.00 61.98 58.05 3hty s VAL 40 Cb -0.10 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.38 3hty s VAL 40 CO 0.00 -0.20 0.34 0.00 -0.31 0.00 0.00 175.10 174.93 3hty s GLN 41 N -3.91 0.85 0.00 4.82 -2.07 0.15 -4.68 119.66 114.83 3hty s GLN 41 Ca 0.32 -0.49 0.00 0.00 -1.82 0.00 0.00 55.36 53.37 3hty s GLN 41 Cb 0.07 0.37 0.00 0.00 -1.09 0.00 0.00 33.01 32.36 3hty s GLN 41 CO 0.11 -0.28 0.00 0.41 -1.32 0.00 0.00 175.29 174.21 3hty n GLY 42 N 0.50 -0.63 2.98 2.60 0.00 -0.72 -0.58 105.19 109.35 3hty n GLY 42 Ca -0.18 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 3hty n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hty s ILE 43 N -3.87 0.77 0.42 -0.61 1.01 -0.15 -0.48 121.20 118.29 3hty s ILE 43 Ca 0.00 -0.33 0.06 0.00 0.00 0.00 0.00 60.65 60.38 3hty s ILE 43 Cb 0.00 -0.71 0.06 0.00 0.01 0.00 0.00 42.46 41.82 3hty s ILE 43 CO 0.00 0.25 0.49 1.17 0.00 0.00 0.00 174.94 176.85 3hty n LYS 44 N 3.48 0.77 -3.63 2.79 4.81 0.47 -1.40 118.16 125.45 3hty n LYS 44 Ca -0.20 -2.35 -0.03 0.00 -0.87 0.00 0.00 58.31 54.86 3hty n LYS 44 Cb 0.53 -0.03 -0.02 0.00 0.02 0.00 0.00 35.03 35.53 3hty n LYS 44 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3hty s GLU 46 N -3.83 0.12 0.80 1.64 2.02 0.22 -0.86 118.70 118.81 3hty s GLU 46 Ca 0.37 -0.04 -0.14 0.00 0.02 0.00 0.00 54.97 55.18 3hty s GLU 46 Cb -0.03 0.06 0.08 0.00 0.10 0.00 0.00 34.13 34.33 3hty s GLU 46 CO 0.24 -0.05 1.22 -1.21 0.02 0.00 0.00 175.26 175.47 3hty s GLU 47 N -2.15 1.68 0.00 1.61 8.01 -1.26 -3.08 118.70 123.50 3hty s GLU 47 Ca 0.11 1.79 0.00 0.00 0.01 0.00 0.00 54.97 56.88 3hty s GLU 47 Cb -0.01 -1.78 0.00 0.00 -4.31 0.00 0.00 34.13 28.03 3hty s GLU 47 CO -0.03 -2.19 0.00 0.41 0.01 0.00 0.00 175.26 173.45 3hty n GLY 48 N 0.55 0.57 2.76 -1.39 0.00 -1.26 -4.00 105.19 102.41 3hty n GLY 48 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3hty n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hty n GLY 49 N -2.85 0.94 3.72 -0.02 0.00 -1.18 -5.02 105.19 100.79 3hty n GLY 49 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3hty n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hty s VAL 50 N -3.75 4.51 0.16 1.61 1.01 -1.24 -1.56 120.40 121.14 3hty s VAL 50 Ca 0.00 1.92 0.09 0.00 0.00 0.00 0.00 61.98 63.98 3hty s VAL 50 Cb 0.00 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 3hty s VAL 50 CO 0.00 0.21 -0.19 0.00 0.00 0.00 0.00 175.10 175.13 3hty s ALA 51 N 0.56 2.02 0.02 5.51 0.00 -0.84 -0.61 121.76 128.42 3hty s ALA 51 Ca 0.51 -1.48 -0.13 0.00 0.00 0.00 0.00 51.96 50.86 3hty s ALA 51 Cb -0.24 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.70 3hty s ALA 51 CO 0.30 0.26 0.28 -1.54 0.00 0.00 0.00 175.76 175.05 3hty s SER 52 N -2.60 -0.12 0.36 0.00 1.04 -0.04 -3.25 113.70 109.09 3hty s SER 52 Ca 0.15 -0.11 -0.25 0.00 0.48 0.00 0.00 55.95 56.22 3hty s SER 52 Cb -0.06 0.32 -0.10 0.00 0.10 0.00 0.00 66.02 66.28 3hty s SER 52 CO 0.07 -0.53 0.99 -0.44 0.98 0.00 0.00 173.24 174.31 3hty s SER 53 N -1.74 7.10 -0.33 7.02 0.01 -1.26 -0.39 113.70 124.11 3hty s SER 53 Ca -0.09 1.91 -0.07 0.00 1.31 0.00 0.00 55.95 59.01 3hty s SER 53 Cb -0.03 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.65 3hty s SER 53 CO -0.00 -0.24 0.11 -0.69 0.41 0.00 0.00 173.24 172.82 3hty s VAL 54 N -1.66 3.93 -0.36 3.43 1.01 0.37 -4.82 120.40 122.30 3hty s VAL 54 Ca 0.54 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 3hty s VAL 54 Cb -0.20 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.04 3hty s VAL 54 CO 0.25 -0.10 0.28 -3.20 0.00 0.00 0.00 175.10 172.33 3hty n ASN 55 N 4.85 -7.89 0.00 3.32 5.15 -1.26 -1.75 115.26 117.68 3hty n ASN 55 Ca -0.13 0.97 0.00 0.00 -0.60 0.00 0.00 54.58 54.82 3hty n ASN 55 Cb 0.46 -5.14 0.00 0.00 -0.53 0.00 0.00 39.78 34.57 3hty n ASN 55 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hty n ALA 57 N 0.26 0.36 0.05 5.20 0.00 -1.26 -4.81 120.51 120.32 3hty n ALA 57 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.28 3hty n ALA 57 Cb 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.58 3hty n ALA 57 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3hty h THR 58 N 0.00 1.29 -3.55 0.00 2.02 -1.95 -3.42 112.91 107.30 3hty h THR 58 Ca 0.00 -2.28 -0.71 0.00 0.77 0.00 0.00 66.41 64.19 3hty h THR 58 Cb 0.00 2.47 -0.25 0.00 -1.74 0.00 0.00 68.15 68.63 3hty h THR 58 CO 0.00 0.70 -0.50 -0.22 0.37 0.00 0.00 175.52 175.87 3hty s LEU 59 N -8.08 4.83 -0.48 2.58 2.96 -1.26 -0.15 118.68 119.08 3hty s LEU 59 Ca -0.10 -1.10 -0.06 0.00 -0.22 0.00 0.00 54.13 52.65 3hty s LEU 59 Cb 0.06 -2.02 0.12 0.00 0.50 0.00 0.00 46.19 44.85 3hty s LEU 59 CO 0.92 -0.42 0.31 -0.69 -1.32 0.00 0.00 176.35 175.15 3hty s VAL 60 N 1.53 3.83 0.50 1.68 1.01 0.17 -4.74 120.40 124.38 3hty s VAL 60 Ca 0.02 -2.05 -0.21 0.00 0.00 0.00 0.00 61.98 59.74 3hty s VAL 60 Cb -0.20 -3.55 -0.07 0.00 0.00 0.00 0.00 36.38 32.56 3hty s VAL 60 CO 0.06 -0.76 1.12 -0.31 0.00 0.00 0.00 175.10 175.20 3hty s TYR 61 N 1.07 2.83 0.00 5.22 2.02 -1.26 -0.40 117.35 126.82 3hty s TYR 61 Ca 0.08 1.55 0.00 0.00 -0.37 0.00 0.00 57.07 58.34 3hty s TYR 61 Cb -0.24 -3.27 0.00 0.00 -0.40 0.00 0.00 41.96 38.06 3hty s TYR 61 CO -0.03 -1.36 0.00 0.39 -1.57 0.00 0.00 175.55 172.98 3hty n GLU 62 N -0.92 0.53 -3.77 -0.62 1.02 0.42 -4.08 120.64 113.23 3hty n GLU 62 Ca 0.10 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.14 3hty n GLU 62 Cb 0.50 -0.70 -0.05 0.00 -0.02 0.00 0.00 31.44 31.17 3hty n GLU 62 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3hty s SER 63 N -2.87 -0.12 0.03 1.62 1.04 -1.03 -1.98 113.70 110.37 3hty s SER 63 Ca 0.00 -0.53 -0.07 0.00 0.48 0.00 0.00 55.95 55.83 3hty s SER 63 Cb 0.00 0.47 -0.00 0.00 0.10 0.00 0.00 66.02 66.59 3hty s SER 63 CO 0.00 -0.89 0.14 -1.66 0.98 0.00 0.00 173.24 171.80 3hty s TRP 64 N -3.87 0.11 -0.24 5.02 1.48 -0.60 -1.00 118.94 119.84 3hty s TRP 64 Ca 0.08 -0.32 -0.18 0.00 -1.06 0.00 0.00 56.10 54.62 3hty s TRP 64 Cb 0.02 -0.08 0.07 0.00 -1.16 0.00 0.00 33.47 32.32 3hty s TRP 64 CO -0.07 -0.36 0.62 0.21 -4.06 0.00 0.00 176.95 173.30 3hty s LYS 65 N -2.20 0.67 -0.16 3.25 2.20 -0.44 -4.59 119.74 118.47 3hty s LYS 65 Ca -0.08 1.01 -0.15 0.00 -0.36 0.00 0.00 55.97 56.39 3hty s LYS 65 Cb -0.03 0.21 -0.04 0.00 -1.51 0.00 0.00 37.83 36.46 3hty s LYS 65 CO -0.02 -0.12 0.35 -0.65 -0.36 0.00 0.00 175.35 174.55 3hty s GLN 66 N 1.03 4.25 -0.25 4.03 -1.52 -1.26 -0.41 119.66 125.53 3hty s GLN 66 Ca -0.06 0.18 -0.02 0.00 -1.95 0.00 0.00 55.36 53.52 3hty s GLN 66 Cb -0.05 -3.46 0.08 0.00 -0.22 0.00 0.00 33.01 29.36 3hty s GLN 66 CO -0.10 0.15 0.06 -1.21 -0.25 0.00 0.00 175.29 173.94 3hty s GLU 67 N 0.72 0.76 7.73 2.91 2.02 -0.55 -5.02 118.70 127.28 3hty s GLU 67 Ca 0.19 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.42 3hty s GLU 67 Cb -0.14 -2.07 0.00 0.00 0.10 0.00 0.00 34.13 32.02 3hty s GLU 67 CO 0.06 -0.80 0.00 0.41 0.02 0.00 0.00 175.26 174.96 3hty n GLY 68 N 4.94 3.19 0.76 -1.39 0.00 -1.26 -0.85 105.19 110.58 3hty n GLY 68 Ca -0.06 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 45.87 3hty n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hty n THR 69 N 0.00 0.43 -3.57 2.61 -2.24 -1.26 -4.93 114.28 105.32 3hty n THR 69 Ca 0.00 -0.52 -0.29 0.00 -2.27 0.00 0.00 64.05 60.98 3hty n THR 69 Cb 0.00 0.41 -0.04 0.00 -2.10 0.00 0.00 70.33 68.61 3hty n THR 69 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hty s LYS 70 N -1.57 3.58 -0.12 -0.78 -0.14 -0.03 -0.84 119.74 119.85 3hty s LYS 70 Ca 0.32 -0.17 0.00 0.00 -1.36 0.00 0.00 55.97 54.76 3hty s LYS 70 Cb 0.17 -2.78 0.02 0.00 -1.68 0.00 0.00 37.83 33.57 3hty s LYS 70 CO 0.24 0.36 -0.11 -1.17 -0.76 0.00 0.00 175.35 173.90 3hty s LEU 71 N -3.24 1.46 -0.25 3.17 2.96 -1.26 -1.48 118.68 120.04 3hty s LEU 71 Ca 0.41 -0.37 -0.11 0.00 -0.22 0.00 0.00 54.13 53.84 3hty s LEU 71 Cb -0.11 -0.97 -0.05 0.00 0.50 0.00 0.00 46.19 45.55 3hty s LEU 71 CO 0.28 -0.06 0.17 -0.63 -1.32 0.00 0.00 176.35 174.79 3hty s ILE 72 N 1.41 5.34 -0.06 6.68 1.01 0.45 -4.34 121.20 131.70 3hty s ILE 72 Ca 0.01 0.18 0.05 0.00 0.00 0.00 0.00 60.65 60.89 3hty s ILE 72 Cb -0.13 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 3hty s ILE 72 CO -0.07 0.32 -0.22 -0.76 0.00 0.00 0.00 174.94 174.21 3hty s LEU 73 N 1.24 2.24 0.23 2.97 1.43 0.26 -1.33 118.68 125.71 3hty s LEU 73 Ca 0.07 -0.45 0.09 0.00 -1.03 0.00 0.00 54.13 52.82 3hty s LEU 73 Cb -0.14 -1.43 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 3hty s LEU 73 CO 0.06 0.25 -0.17 0.42 0.23 0.00 0.00 176.35 177.14 3hty s THR 74 N -0.19 2.01 -2.53 5.49 -4.23 -0.17 -0.82 115.64 115.20 3hty s THR 74 Ca -0.02 -2.25 0.00 0.00 -1.18 0.00 0.00 61.69 58.24 3hty s THR 74 Cb -0.14 -2.11 0.00 0.00 1.34 0.00 0.00 72.50 71.59 3hty s THR 74 CO 0.03 -0.49 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 3hty n GLY 75 N -0.39 -0.60 3.18 3.99 0.00 -1.07 -0.43 105.19 109.87 3hty n GLY 75 Ca -0.08 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 3hty n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hty s LYS 76 N -1.01 0.91 -0.07 1.61 -2.85 0.46 -0.69 119.74 118.11 3hty s LYS 76 Ca 0.00 -1.33 0.04 0.00 -1.00 0.00 0.00 55.97 53.68 3hty s LYS 76 Cb 0.00 0.27 -0.02 0.00 -2.06 0.00 0.00 37.83 36.02 3hty s LYS 76 CO 0.00 -0.27 -0.18 -1.12 0.10 0.00 0.00 175.35 173.89 3hty s SER 77 N -3.00 3.70 -0.30 0.03 0.01 -0.47 -0.66 113.70 113.01 3hty s SER 77 Ca 0.19 -0.33 -0.14 0.00 1.31 0.00 0.00 55.95 56.98 3hty s SER 77 Cb 0.07 -0.96 -0.03 0.00 0.21 0.00 0.00 66.02 65.30 3hty s SER 77 CO -0.01 0.28 0.34 -0.63 0.41 0.00 0.00 173.24 173.63 3hty s ILE 78 N -0.35 5.19 0.07 1.44 -1.09 0.79 -2.46 121.20 124.78 3hty s ILE 78 Ca 0.03 0.27 0.01 0.00 -2.23 0.00 0.00 60.65 58.73 3hty s ILE 78 Cb -0.12 -3.73 0.01 0.00 -1.58 0.00 0.00 42.46 37.03 3hty s ILE 78 CO 0.02 0.05 0.04 0.61 -1.23 0.00 0.00 174.94 174.44 3hty n GLY 79 N 4.86 3.21 3.55 6.18 0.00 0.34 -4.89 105.19 118.44 3hty n GLY 79 Ca -0.09 -2.19 -0.41 0.00 0.00 0.00 0.00 46.02 43.32 3hty n GLY 79 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hty s ASN 80 N -1.41 6.22 0.00 1.61 2.47 -1.26 -3.67 114.94 118.90 3hty s ASN 80 Ca 0.03 -0.36 0.00 0.00 0.42 0.00 0.00 52.86 52.96 3hty s ASN 80 Cb -0.00 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.25 3hty s ASN 80 CO 0.02 -1.74 0.00 0.61 -3.72 0.00 0.00 177.10 172.28 3hty n GLY 81 N 5.31 0.70 3.11 1.21 0.00 -1.26 -5.00 105.19 109.26 3hty n GLY 81 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 3hty n GLY 81 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hty s GLN 82 N -0.14 0.58 0.00 1.61 0.00 -1.24 -5.16 119.66 115.31 3hty s GLN 82 Ca 0.00 -0.75 -0.04 0.00 -0.00 0.00 0.00 55.36 54.57 3hty s GLN 82 Cb 0.00 0.23 -0.01 0.00 0.00 0.00 0.00 33.01 33.23 3hty s GLN 82 CO 0.00 -0.14 0.07 0.95 0.00 0.00 0.00 175.29 176.16 3hty s THR 83 N -2.57 0.08 -0.05 3.63 -4.23 -1.26 -0.51 115.64 110.74 3hty s THR 83 Ca -0.05 -0.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 3hty s THR 83 Cb -0.01 -0.33 0.03 0.00 1.34 0.00 0.00 72.50 73.52 3hty s THR 83 CO -0.04 -0.38 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.01 3hty s ILE 84 N -1.23 0.36 0.44 2.99 1.01 -1.03 -4.95 121.20 118.79 3hty s ILE 84 Ca -0.13 0.02 -0.21 0.00 0.00 0.00 0.00 60.65 60.33 3hty s ILE 84 Cb -0.08 -0.45 -0.10 0.00 0.01 0.00 0.00 42.46 41.84 3hty s ILE 84 CO 0.00 0.21 0.99 -1.61 0.00 0.00 0.00 174.94 174.53 3hty s GLU 85 N 1.26 4.10 0.09 2.79 0.41 -1.26 -1.37 118.70 124.73 3hty s GLU 85 Ca -0.06 1.24 0.02 0.00 -0.41 0.00 0.00 54.97 55.77 3hty s GLU 85 Cb -0.13 -2.22 -0.04 0.00 -1.78 0.00 0.00 34.13 29.96 3hty s GLU 85 CO -0.02 -0.15 -0.08 -0.59 -0.49 0.00 0.00 175.26 173.93 3hty s PHE 86 N -2.04 0.93 -0.24 1.61 -0.12 0.13 -4.96 117.98 113.29 3hty s PHE 86 Ca 0.63 -0.78 -0.02 0.00 -0.05 0.00 0.00 56.93 56.71 3hty s PHE 86 Cb -0.13 -0.52 0.08 0.00 -0.63 0.00 0.00 43.02 41.81 3hty s PHE 86 CO 0.17 -0.09 0.05 0.08 -0.05 0.00 0.00 175.22 175.38 3hty s VAL 87 N -3.00 0.75 -0.06 -2.49 1.01 -1.26 -2.59 120.40 112.76 3hty s VAL 87 Ca 0.08 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.12 3hty s VAL 87 Cb 0.01 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 3hty s VAL 87 CO -0.02 -0.38 -0.04 -1.81 0.00 0.00 0.00 175.10 172.84 3hty s ASP 88 N 1.72 4.84 0.27 3.32 1.01 -0.00 -4.98 116.67 122.86 3hty s ASP 88 Ca 0.02 0.01 0.10 0.00 0.71 0.00 0.00 52.55 53.39 3hty s ASP 88 Cb -0.17 -1.25 -0.04 0.00 1.01 0.00 0.00 42.92 42.46 3hty s ASP 88 CO -0.15 0.35 -0.00 -0.89 0.21 0.00 0.00 175.17 174.69 3hty s THR 89 N -0.87 3.35 -0.03 -1.27 2.01 -1.26 -0.58 115.64 116.99 3hty s THR 89 Ca 0.14 -1.92 0.02 0.00 0.31 0.00 0.00 61.69 60.23 3hty s THR 89 Cb -0.11 -2.83 0.01 0.00 0.01 0.00 0.00 72.50 69.58 3hty s THR 89 CO 0.03 -0.36 -0.06 -1.81 -0.69 0.00 0.00 174.62 171.73 3hty s ASP 91 N -3.68 1.01 -0.34 3.53 1.01 -0.31 -4.76 116.67 113.14 3hty s ASP 91 Ca 0.32 -0.15 -0.22 0.00 0.71 0.00 0.00 52.55 53.21 3hty s ASP 91 Cb -0.06 -0.38 0.00 0.00 1.01 0.00 0.00 42.92 43.49 3hty s ASP 91 CO 0.20 0.00 0.71 -0.63 0.21 0.00 0.00 175.17 175.66 3hty s ILE 92 N 0.55 4.84 -0.11 0.77 1.01 -0.02 -0.91 121.20 127.33 3hty s ILE 92 Ca -0.08 0.86 0.17 0.00 0.00 0.00 0.00 60.65 61.60 3hty s ILE 92 Cb -0.11 -4.11 -0.21 0.00 0.01 0.00 0.00 42.46 38.04 3hty s ILE 92 CO 0.00 -0.29 0.56 0.29 0.00 0.00 0.00 174.94 175.50 3hty n LYS 93 N 6.15 0.64 -3.70 2.79 4.76 0.68 -4.92 118.16 124.57 3hty n LYS 93 Ca 0.01 0.14 -0.13 0.00 -2.87 0.00 0.00 58.31 55.46 3hty n LYS 93 Cb 0.48 -1.70 -0.09 0.00 -1.84 0.00 0.00 35.03 31.88 3hty n LYS 93 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3hty s ARG 94 N -2.79 0.59 -0.25 1.97 3.52 -1.13 -4.93 118.95 115.92 3hty s ARG 94 Ca -0.06 0.73 -0.02 0.00 -0.13 0.00 0.00 55.73 56.25 3hty s ARG 94 Cb 0.08 0.28 0.13 0.00 -1.56 0.00 0.00 34.95 33.88 3hty s ARG 94 CO 0.83 -0.08 0.33 -1.17 -0.81 0.00 0.00 175.30 174.41 3hty s LEU 95 N 0.35 -0.47 0.00 -0.88 2.96 -1.26 -1.14 118.68 118.24 3hty s LEU 95 Ca -0.01 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.82 3hty s LEU 95 Cb -0.04 0.85 -0.01 0.00 0.50 0.00 0.00 46.19 47.49 3hty s LEU 95 CO -0.00 -0.33 0.11 0.35 -1.32 0.00 0.00 176.35 175.16 3hty n THR 96 N 5.34 0.00 0.15 3.68 -2.24 -0.33 -4.75 114.28 116.14 3hty n THR 96 Ca -0.03 -1.95 0.06 0.00 -2.27 0.00 0.00 64.05 59.85 3hty n THR 96 Cb 0.49 0.67 0.52 0.00 -2.10 0.00 0.00 70.33 69.91 3hty n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hty h ALA 97 N 1.52 1.81 0.00 6.98 0.00 -1.95 -3.29 119.26 124.33 3hty h ALA 97 Ca -0.27 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3hty h ALA 97 Cb 1.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3hty h ALA 97 CO 0.43 0.16 -0.41 -0.25 0.00 0.00 0.00 179.25 179.17 3hty n ASP 98 N -4.47 0.46 -3.98 0.00 8.00 -1.26 -4.73 116.55 110.57 3hty n ASP 98 Ca -0.01 -0.67 -0.09 0.00 0.71 0.00 0.00 54.79 54.73 3hty n ASP 98 Cb 0.11 1.01 -0.11 0.00 -0.02 0.00 0.00 41.12 42.12 3hty n ASP 98 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3hty s SER 99 N -1.80 0.25 -0.06 -2.24 1.04 -1.24 -1.59 113.70 108.05 3hty s SER 99 Ca 0.03 -0.55 -0.03 0.00 0.48 0.00 0.00 55.95 55.88 3hty s SER 99 Cb 0.06 0.14 0.04 0.00 0.10 0.00 0.00 66.02 66.36 3hty s SER 99 CO 0.33 -0.38 0.11 -0.22 0.98 0.00 0.00 173.24 174.07 3hty s LEU 100 N -1.75 0.10 -0.17 2.42 2.96 -0.84 -1.18 118.68 120.22 3hty s LEU 100 Ca -0.11 0.22 0.00 0.00 -0.22 0.00 0.00 54.13 54.02 3hty s LEU 100 Cb -0.06 0.10 0.01 0.00 0.50 0.00 0.00 46.19 46.74 3hty s LEU 100 CO -0.02 -0.24 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.90 3hty s VAL 101 N 2.14 2.34 0.11 1.68 1.01 -0.29 -0.35 120.40 127.04 3hty s VAL 101 Ca 0.03 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.23 3hty s VAL 101 Cb -0.12 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 3hty s VAL 101 CO -0.05 0.52 -0.14 -0.76 0.00 0.00 0.00 175.10 174.67 3hty s LEU 102 N 1.15 2.87 -0.16 3.92 1.43 -0.75 -0.23 118.68 126.90 3hty s LEU 102 Ca 0.01 -0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 52.60 3hty s LEU 102 Cb -0.14 -1.68 0.06 0.00 0.03 0.00 0.00 46.19 44.45 3hty s LEU 102 CO -0.07 0.18 0.07 -0.62 0.23 0.00 0.00 176.35 176.13 3hty s ASP 103 N -2.17 2.35 -0.33 2.29 -1.08 -0.09 -0.95 116.67 116.69 3hty s ASP 103 Ca 0.20 -0.58 -0.09 0.00 -0.52 0.00 0.00 52.55 51.56 3hty s ASP 103 Cb -0.11 -0.33 0.02 0.00 -1.46 0.00 0.00 42.92 41.05 3hty s ASP 103 CO 0.12 -0.32 0.14 0.21 0.52 0.00 0.00 175.17 175.83 3hty s ASN 104 N 2.07 5.44 1.60 -0.34 3.04 -1.26 -1.16 114.94 124.33 3hty s ASN 104 Ca 0.02 -0.87 0.00 0.00 0.04 0.00 0.00 52.86 52.05 3hty s ASN 104 Cb -0.16 -1.95 0.00 0.00 -1.54 0.00 0.00 41.25 37.61 3hty s ASN 104 CO -0.08 -0.29 0.00 0.00 -3.04 0.00 0.00 177.10 173.69 3hty n GLN 105 N 4.92 0.00 -2.64 0.43 6.02 -1.26 -4.73 117.38 120.12 3hty n GLN 105 Ca -0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.43 3hty n GLN 105 Cb 0.47 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.73 3hty n GLN 105 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hty n GLY 106 N 0.00 4.57 3.65 1.08 0.00 -1.26 -5.10 105.19 108.13 3hty n GLY 106 Ca 0.00 -2.23 -0.02 0.00 0.00 0.00 0.00 46.02 43.78 3hty n GLY 106 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hty s GLU 108 N -0.16 0.15 -0.01 1.61 2.12 -1.26 -5.19 118.70 115.97 3hty s GLU 108 Ca 0.38 0.22 0.04 0.00 0.36 0.00 0.00 54.97 55.97 3hty s GLU 108 Cb 0.05 0.05 -0.01 0.00 0.26 0.00 0.00 34.13 34.49 3hty s GLU 108 CO 0.02 -0.02 -0.13 0.96 -0.54 0.00 0.00 175.26 175.55 3hty s ILE 109 N 0.61 1.02 -0.21 -3.70 -4.36 -0.12 -5.00 121.20 109.44 3hty s ILE 109 Ca -0.01 -0.57 -0.06 0.00 -0.26 0.00 0.00 60.65 59.74 3hty s ILE 109 Cb -0.04 -0.86 -0.03 0.00 1.25 0.00 0.00 42.46 42.78 3hty s ILE 109 CO -0.12 0.28 0.04 0.00 0.24 0.00 0.00 174.94 175.38 3hty s ARG 110 N -0.34 3.75 0.19 0.37 1.04 -1.26 -1.81 118.95 120.89 3hty s ARG 110 Ca 0.05 -0.45 0.08 0.00 -1.04 0.00 0.00 55.73 54.37 3hty s ARG 110 Cb -0.05 -3.20 -0.04 0.00 -2.04 0.00 0.00 34.95 29.62 3hty s ARG 110 CO -0.00 0.04 -0.05 0.71 -0.04 0.00 0.00 175.30 175.95 3hty s TYR 111 N 0.98 2.71 0.09 5.89 2.02 0.52 -4.73 117.35 124.83 3hty s TYR 111 Ca 0.03 -0.19 0.06 0.00 -0.37 0.00 0.00 57.07 56.60 3hty s TYR 111 Cb -0.14 -1.30 -0.04 0.00 -0.40 0.00 0.00 41.96 40.08 3hty s TYR 111 CO 0.02 0.53 -0.09 0.00 -1.57 0.00 0.00 175.55 174.45 3hty s ALA 112 N -1.81 2.98 0.06 3.71 0.00 0.13 -1.98 121.76 124.85 3hty s ALA 112 Ca 0.27 -1.21 -0.31 0.00 0.00 0.00 0.00 51.96 50.71 3hty s ALA 112 Cb -0.09 -0.94 -0.06 0.00 0.00 0.00 0.00 23.12 22.03 3hty s ALA 112 CO 0.17 0.64 1.26 0.21 0.00 0.00 0.00 175.76 178.05 3hty s LYS 113 N -2.12 4.38 0.00 0.00 2.47 -0.62 -0.91 119.74 122.94 3hty s LYS 113 Ca 0.21 1.85 0.29 0.00 -1.56 0.00 0.00 55.97 56.77 3hty s LYS 113 Cb -0.11 -3.36 1.76 0.00 -1.46 0.00 0.00 37.83 34.66 3hty s LYS 113 CO 0.13 -0.35 2.09 0.94 0.16 0.00 0.00 175.35 178.33