#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hty s ALA 23 N 0.00 2.86 0.21 4.61 0.00 -1.26 -5.02 121.76 123.15 3hty s ALA 23 Ca 0.00 0.92 -0.21 0.00 0.00 0.00 0.00 51.96 52.67 3hty s ALA 23 Cb 0.00 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.65 3hty s ALA 23 CO 0.00 -0.75 0.74 0.45 0.00 0.00 0.00 175.76 176.20 3hty s SER 24 N -1.49 7.13 0.00 0.00 0.15 -1.26 -4.90 113.70 113.33 3hty s SER 24 Ca 0.68 1.47 0.23 0.00 0.70 0.00 0.00 55.95 59.03 3hty s SER 24 Cb -0.28 -2.44 1.04 0.00 -1.71 0.00 0.00 66.02 62.63 3hty s SER 24 CO 0.33 0.07 1.76 0.00 1.20 0.00 0.00 173.24 176.59 3hty n ILE 25 N 0.91 0.36 -2.19 6.45 3.06 -1.26 -4.82 119.36 121.88 3hty n ILE 25 Ca -0.03 0.09 -0.42 0.00 -2.50 0.00 0.00 62.75 59.89 3hty n ILE 25 Cb 0.51 -0.69 -0.03 0.00 0.54 0.00 0.00 39.64 39.97 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 -2.91 3.52 -5.00 9.51 1.01 -1.26 -4.88 120.40 120.39 3hty s VAL 26 Ca 0.14 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.13 3hty s VAL 26 Cb 0.15 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.89 3hty s VAL 26 CO 0.41 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.16 3hty n GLY 27 N 3.58 -0.67 3.64 4.51 0.00 -1.26 -5.04 105.19 109.95 3hty n GLY 27 Ca 0.12 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.07 5.93 -0.14 1.61 0.01 -1.26 -4.38 113.70 114.39 3hty s SER 28 Ca 0.00 0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.37 3hty s SER 28 Cb 0.00 -2.06 0.01 0.00 0.21 0.00 0.00 66.02 64.18 3hty s SER 28 CO 0.00 0.09 -0.21 0.26 0.41 0.00 0.00 173.24 173.78 3hty s TRP 29 N 0.92 2.68 0.10 2.43 0.52 0.30 0.07 118.94 125.95 3hty s TRP 29 Ca 0.06 -1.31 0.02 0.00 0.02 0.00 0.00 56.10 54.90 3hty s TRP 29 Cb -0.13 -1.82 -0.04 0.00 -1.15 0.00 0.00 33.47 30.33 3hty s TRP 29 CO 0.03 -0.60 -0.08 0.14 0.02 0.00 0.00 176.95 176.47 3hty s VAL 30 N 0.81 0.76 0.19 4.03 -7.23 -0.23 -1.01 120.40 117.72 3hty s VAL 30 Ca -0.07 -1.79 0.03 0.00 -1.81 0.00 0.00 61.98 58.34 3hty s VAL 30 Cb -0.16 -1.51 -0.05 0.00 0.56 0.00 0.00 36.38 35.23 3hty s VAL 30 CO -0.02 -0.75 -0.02 -1.83 -0.31 0.00 0.00 175.10 172.18 3hty s GLU 31 N -3.37 1.18 0.54 4.82 -1.05 0.79 -0.85 118.70 120.76 3hty s GLU 31 Ca 0.08 -1.57 -0.21 0.00 -0.15 0.00 0.00 54.97 53.12 3hty s GLU 31 Cb 0.02 -0.45 -0.05 0.00 -0.44 0.00 0.00 34.13 33.21 3hty s GLU 31 CO -0.03 -0.09 1.27 -2.14 0.95 0.00 0.00 175.26 175.23 3hty s PRO 32 N -3.87 3.22 -0.30 -4.83 0.02 -1.26 -1.05 135.00 126.93 3hty s PRO 32 Ca 0.24 2.02 -0.28 0.00 0.02 0.00 0.00 61.00 63.00 3hty s PRO 32 Cb 0.05 -2.20 0.01 0.00 0.02 0.00 0.00 34.50 32.39 3hty s PRO 32 CO 0.05 -1.06 1.04 0.08 -0.33 0.00 0.00 177.00 176.78 3hty s VAL 33 N -1.43 4.57 0.20 3.83 1.01 -0.45 -4.73 120.40 123.41 3hty s VAL 33 Ca 0.72 1.74 -0.32 0.00 0.00 0.00 0.00 61.98 64.11 3hty s VAL 33 Cb -0.35 -4.37 -0.14 0.00 0.00 0.00 0.00 36.38 31.53 3hty s VAL 33 CO 0.41 -0.39 1.47 -2.65 0.00 0.00 0.00 175.10 173.94 3hty n PRO 34 N 6.68 2.04 -0.94 2.72 -0.02 -1.26 -1.14 135.00 143.08 3hty n PRO 34 Ca 0.11 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3hty n PRO 34 Cb 0.47 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 2.66 0.79 2.43 -1.23 0.00 -1.26 -4.94 105.19 103.64 3hty n GLY 35 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 3hty n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hty s LEU 36 N 0.00 1.25 0.18 0.99 2.96 -0.29 -5.11 118.68 118.66 3hty s LEU 36 Ca 0.00 -2.71 -0.33 0.00 -0.22 0.00 0.00 54.13 50.87 3hty s LEU 36 Cb 0.00 -0.43 -0.14 0.00 0.50 0.00 0.00 46.19 46.12 3hty s LEU 36 CO 0.00 -0.23 1.50 -1.84 -1.32 0.00 0.00 176.35 174.46 3hty n GLU 37 N 3.34 2.02 -0.14 1.98 0.28 -1.26 -3.05 120.64 123.82 3hty n GLU 37 Ca 0.22 0.73 0.00 0.00 -0.16 0.00 0.00 57.16 57.95 3hty n GLU 37 Cb 0.43 -2.45 0.00 0.00 1.43 0.00 0.00 31.44 30.85 3hty n GLU 37 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3hty n GLY 38 N 2.94 0.60 3.49 -1.84 0.00 -1.26 -5.07 105.19 104.05 3hty n GLY 38 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.80 1.75 0.20 1.61 -1.52 -1.17 -5.06 119.66 114.66 3hty s GLN 39 Ca 0.00 -1.56 0.08 0.00 -1.95 0.00 0.00 55.36 51.93 3hty s GLN 39 Cb 0.00 -1.91 -0.05 0.00 -0.22 0.00 0.00 33.01 30.84 3hty s GLN 39 CO 0.00 0.38 -0.16 0.14 -0.25 0.00 0.00 175.29 175.40 3hty s VAL 40 N -2.04 1.79 0.05 1.09 -7.23 -1.26 -1.34 120.40 111.46 3hty s VAL 40 Ca 0.26 -2.14 -0.11 0.00 -1.81 0.00 0.00 61.98 58.18 3hty s VAL 40 Cb -0.07 -1.99 0.01 0.00 0.56 0.00 0.00 36.38 34.89 3hty s VAL 40 CO 0.14 -0.51 0.24 0.00 -0.31 0.00 0.00 175.10 174.65 3hty s GLN 41 N -3.40 0.78 0.00 4.82 -2.07 -0.21 -4.73 119.66 114.84 3hty s GLN 41 Ca 0.21 -0.66 0.00 0.00 -1.82 0.00 0.00 55.36 53.09 3hty s GLN 41 Cb -0.02 0.33 0.00 0.00 -1.09 0.00 0.00 33.01 32.22 3hty s GLN 41 CO 0.07 -0.24 0.00 0.41 -1.32 0.00 0.00 175.29 174.21 3hty n GLY 42 N 0.46 -0.70 2.91 2.60 0.00 -0.66 -0.15 105.19 109.65 3hty n GLY 42 Ca -0.18 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 3hty n GLY 42 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hty s ILE 43 N -4.00 0.19 0.50 -0.61 2.07 -0.18 -0.46 121.20 118.71 3hty s ILE 43 Ca 0.00 -0.13 0.04 0.00 -1.41 0.00 0.00 60.65 59.16 3hty s ILE 43 Cb 0.00 -0.18 0.04 0.00 0.13 0.00 0.00 42.46 42.46 3hty s ILE 43 CO 0.00 0.04 0.36 1.17 -1.91 0.00 0.00 174.94 174.60 3hty n LYS 44 N 2.98 0.76 -3.56 3.50 4.81 -0.19 -0.54 118.16 125.92 3hty n LYS 44 Ca -0.13 -3.13 -0.10 0.00 -0.87 0.00 0.00 58.31 54.08 3hty n LYS 44 Cb 0.59 0.35 -0.04 0.00 0.02 0.00 0.00 35.03 35.95 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 -4.04 0.67 0.29 1.64 2.02 0.60 -1.27 118.70 118.61 3hty s GLU 46 Ca 0.28 0.03 -0.30 0.00 0.02 0.00 0.00 54.97 55.00 3hty s GLU 46 Cb -0.02 0.31 -0.12 0.00 0.10 0.00 0.00 34.13 34.40 3hty s GLU 46 CO 0.17 -0.24 1.54 -1.91 0.02 0.00 0.00 175.26 174.85 3hty n GLU 47 N 0.47 2.54 0.00 1.61 2.13 -1.26 -1.75 120.64 124.38 3hty n GLU 47 Ca -0.10 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.62 3hty n GLU 47 Cb 0.59 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.65 3hty n GLU 47 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hty n GLY 48 N 2.03 1.01 0.00 8.31 0.00 -1.26 -4.58 105.19 110.70 3hty n GLY 48 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.95 0.48 3.73 -0.02 0.00 -0.72 -5.04 105.19 101.66 3hty n GLY 49 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 3.56 0.10 1.61 1.01 -1.25 -1.23 120.40 122.20 3hty s VAL 50 Ca 0.00 1.24 0.09 0.00 0.00 0.00 0.00 61.98 63.31 3hty s VAL 50 Cb 0.00 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 3hty s VAL 50 CO 0.00 0.16 -0.22 0.00 0.00 0.00 0.00 175.10 175.04 3hty s ALA 51 N 0.33 1.93 -0.01 5.51 0.00 -0.93 -0.29 121.76 128.30 3hty s ALA 51 Ca 0.56 -1.27 -0.08 0.00 0.00 0.00 0.00 51.96 51.17 3hty s ALA 51 Cb -0.33 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.50 3hty s ALA 51 CO 0.35 0.41 0.16 -1.54 0.00 0.00 0.00 175.76 175.14 3hty s SER 52 N -1.81 -0.03 0.48 0.00 1.04 -0.39 -3.25 113.70 109.75 3hty s SER 52 Ca 0.08 -0.10 -0.20 0.00 0.48 0.00 0.00 55.95 56.21 3hty s SER 52 Cb -0.10 0.24 -0.09 0.00 0.10 0.00 0.00 66.02 66.18 3hty s SER 52 CO 0.04 -0.34 1.04 -0.44 0.98 0.00 0.00 173.24 174.52 3hty s SER 53 N -1.18 6.37 -0.30 7.02 0.01 -1.26 -1.03 113.70 123.33 3hty s SER 53 Ca -0.13 1.92 -0.01 0.00 1.31 0.00 0.00 55.95 59.05 3hty s SER 53 Cb -0.07 -2.56 0.06 0.00 0.21 0.00 0.00 66.02 63.66 3hty s SER 53 CO 0.02 -0.76 -0.00 -0.69 0.41 0.00 0.00 173.24 172.21 3hty s VAL 54 N -1.98 2.82 -0.43 3.43 1.01 0.39 -4.82 120.40 120.82 3hty s VAL 54 Ca 0.67 -1.55 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 3hty s VAL 54 Cb -0.16 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.56 3hty s VAL 54 CO 0.20 -0.17 0.57 0.59 0.00 0.00 0.00 175.10 176.29 3hty n ASN 55 N 4.56 -7.64 0.01 3.32 3.02 -1.26 -1.66 115.26 115.61 3hty n ASN 55 Ca -0.11 0.47 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 3hty n ASN 55 Cb 0.43 -5.17 0.00 0.00 -0.61 0.00 0.00 39.78 34.43 3hty n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hty n ALA 57 N -0.42 1.48 -0.04 5.41 0.00 -1.26 -4.89 120.51 120.78 3hty n ALA 57 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.40 3hty n ALA 57 Cb 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 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 1.39 -2.91 0.00 2.02 -1.95 -3.41 112.91 108.04 3hty h THR 58 Ca 0.00 -1.56 -0.65 0.00 0.77 0.00 0.00 66.41 64.98 3hty h THR 58 Cb 0.00 2.11 -0.15 0.00 -1.74 0.00 0.00 68.15 68.36 3hty h THR 58 CO 0.00 0.45 0.39 -0.22 0.37 0.00 0.00 175.52 176.52 3hty s LEU 59 N -8.86 4.59 -0.41 2.58 2.96 -1.26 -1.26 118.68 117.01 3hty s LEU 59 Ca -0.14 -0.91 -0.05 0.00 -0.22 0.00 0.00 54.13 52.80 3hty s LEU 59 Cb 0.05 -2.49 0.10 0.00 0.50 0.00 0.00 46.19 44.34 3hty s LEU 59 CO 0.77 -1.25 0.22 -0.69 -1.32 0.00 0.00 176.35 174.09 3hty s VAL 60 N 3.57 3.63 0.42 1.68 1.01 -0.06 -4.79 120.40 125.86 3hty s VAL 60 Ca 0.21 -1.80 -0.22 0.00 0.00 0.00 0.00 61.98 60.16 3hty s VAL 60 Cb -0.18 -3.37 -0.10 0.00 0.00 0.00 0.00 36.38 32.73 3hty s VAL 60 CO 0.12 -0.61 0.99 -0.31 0.00 0.00 0.00 175.10 175.29 3hty s TYR 61 N 1.25 3.26 0.00 5.22 2.02 -1.26 -0.84 117.35 127.00 3hty s TYR 61 Ca 0.05 1.63 0.00 0.00 -0.37 0.00 0.00 57.07 58.38 3hty s TYR 61 Cb -0.23 -2.98 0.00 0.00 -0.40 0.00 0.00 41.96 38.35 3hty s TYR 61 CO -0.02 -0.37 0.00 0.39 -1.57 0.00 0.00 175.55 173.98 3hty n GLU 62 N -0.45 1.38 -3.62 -0.62 1.02 0.01 -4.14 120.64 114.22 3hty n GLU 62 Ca 0.07 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.10 3hty n GLU 62 Cb 0.52 -0.73 -0.04 0.00 -0.02 0.00 0.00 31.44 31.18 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 -2.28 -0.33 0.03 1.62 1.04 -0.77 -2.18 113.70 110.83 3hty s SER 63 Ca 0.00 -0.30 -0.05 0.00 0.48 0.00 0.00 55.95 56.08 3hty s SER 63 Cb 0.00 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 3hty s SER 63 CO 0.00 -0.96 0.07 -1.66 0.98 0.00 0.00 173.24 171.67 3hty s TRP 64 N -3.82 0.21 -0.22 5.02 1.48 -0.36 -1.16 118.94 120.08 3hty s TRP 64 Ca 0.05 -0.49 -0.17 0.00 -1.06 0.00 0.00 56.10 54.43 3hty s TRP 64 Cb -0.00 -0.15 0.06 0.00 -1.16 0.00 0.00 33.47 32.22 3hty s TRP 64 CO -0.09 -0.33 0.56 0.21 -4.06 0.00 0.00 176.95 173.25 3hty s LYS 65 N -2.33 0.61 -0.20 3.25 2.20 -0.66 -4.58 119.74 118.04 3hty s LYS 65 Ca -0.07 0.89 -0.08 0.00 -0.36 0.00 0.00 55.97 56.35 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 -0.03 -0.11 0.07 -1.14 -0.36 0.00 0.00 175.35 173.77 3hty s GLN 66 N 0.85 3.92 -0.28 4.03 0.74 -1.26 -0.85 119.66 126.80 3hty s GLN 66 Ca -0.04 -0.36 0.01 0.00 0.05 0.00 0.00 55.36 55.01 3hty s GLN 66 Cb -0.05 -3.26 0.08 0.00 1.10 0.00 0.00 33.01 30.88 3hty s GLN 66 CO -0.07 0.17 0.03 -1.21 -0.55 0.00 0.00 175.29 173.65 3hty s GLU 67 N 0.67 1.25 7.55 1.67 2.02 -0.29 -5.00 118.70 126.57 3hty s GLU 67 Ca 0.04 -1.23 0.00 0.00 0.02 0.00 0.00 54.97 53.80 3hty s GLU 67 Cb -0.13 -2.54 0.00 0.00 0.10 0.00 0.00 34.13 31.56 3hty s GLU 67 CO 0.02 -0.82 0.00 0.41 0.02 0.00 0.00 175.26 174.89 3hty n GLY 68 N 4.63 2.88 0.75 -1.39 0.00 -1.26 -0.73 105.19 110.07 3hty n GLY 68 Ca -0.04 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 0.44 -3.77 2.61 -2.24 -1.26 -4.93 114.28 105.13 3hty n THR 69 Ca 0.00 -0.51 -0.33 0.00 -2.27 0.00 0.00 64.05 60.94 3hty n THR 69 Cb 0.00 0.39 -0.05 0.00 -2.10 0.00 0.00 70.33 68.57 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 -1.56 3.56 -0.15 -0.78 -0.14 0.09 -0.73 119.74 120.02 3hty s LYS 70 Ca 0.31 -0.15 0.02 0.00 -1.36 0.00 0.00 55.97 54.79 3hty s LYS 70 Cb 0.17 -3.02 0.01 0.00 -1.68 0.00 0.00 37.83 33.31 3hty s LYS 70 CO 0.23 0.60 -0.21 -1.17 -0.76 0.00 0.00 175.35 174.05 3hty s LEU 71 N -2.08 2.09 -0.28 3.17 2.96 -1.26 -1.13 118.68 122.14 3hty s LEU 71 Ca 0.32 -0.61 -0.07 0.00 -0.22 0.00 0.00 54.13 53.55 3hty s LEU 71 Cb -0.13 -1.44 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 3hty s LEU 71 CO 0.20 0.04 0.07 -0.63 -1.32 0.00 0.00 176.35 174.72 3hty s ILE 72 N 1.03 4.08 -0.13 6.68 1.01 -0.03 -4.30 121.20 129.53 3hty s ILE 72 Ca -0.02 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 3hty s ILE 72 Cb -0.14 -3.03 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 3hty s ILE 72 CO -0.06 0.18 -0.10 -0.76 0.00 0.00 0.00 174.94 174.20 3hty s LEU 73 N 1.54 2.88 0.14 2.97 1.43 0.53 -1.66 118.68 126.52 3hty s LEU 73 Ca 0.04 -0.26 0.09 0.00 -1.03 0.00 0.00 54.13 52.98 3hty s LEU 73 Cb -0.16 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 3hty s LEU 73 CO 0.03 0.18 -0.17 0.42 0.23 0.00 0.00 176.35 177.04 3hty s THR 74 N 0.25 2.88 -0.16 5.49 -4.23 -0.31 -0.23 115.64 119.33 3hty s THR 74 Ca -0.07 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 3hty s THR 74 Cb -0.15 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.34 3hty s THR 74 CO 0.05 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 3hty n GLY 75 N 0.56 -0.60 2.97 3.99 0.00 -0.81 -0.81 105.19 110.50 3hty n GLY 75 Ca -0.14 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 3hty n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hty s LYS 76 N -0.06 0.31 -0.23 1.61 1.02 -0.02 -0.53 119.74 121.84 3hty s LYS 76 Ca 0.00 -0.39 -0.07 0.00 0.02 0.00 0.00 55.97 55.53 3hty s LYS 76 Cb 0.00 -0.14 -0.03 0.00 -0.52 0.00 0.00 37.83 37.14 3hty s LYS 76 CO 0.00 0.03 0.06 0.45 -0.92 0.00 0.00 175.35 174.96 3hty s SER 77 N -0.80 5.18 -0.05 2.83 0.15 0.21 -0.88 113.70 120.34 3hty s SER 77 Ca -0.06 -0.15 0.05 0.00 0.70 0.00 0.00 55.95 56.48 3hty s SER 77 Cb -0.06 -1.92 -0.01 0.00 -1.71 0.00 0.00 66.02 62.33 3hty s SER 77 CO -0.00 0.02 -0.20 -0.63 1.20 0.00 0.00 173.24 173.62 3hty s ILE 78 N 1.31 1.67 0.00 6.45 1.01 -0.39 -1.08 121.20 130.17 3hty s ILE 78 Ca 0.05 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.84 3hty s ILE 78 Cb -0.15 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 40.90 3hty s ILE 78 CO 0.03 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.05 3hty n GLY 79 N 3.03 1.74 2.92 6.18 0.00 -0.77 -4.42 105.19 113.86 3hty n GLY 79 Ca -0.18 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 3hty n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hty n ASN 80 N 0.00 -5.26 -0.92 1.61 3.02 -1.26 -1.38 115.26 111.08 3hty n ASN 80 Ca 0.00 -0.20 -0.12 0.00 -0.03 0.00 0.00 54.58 54.23 3hty n ASN 80 Cb 0.00 -4.31 -0.05 0.00 -0.61 0.00 0.00 39.78 34.81 3hty n ASN 80 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hty n GLY 81 N -1.27 1.29 3.11 7.41 0.00 -1.26 -4.99 105.19 109.48 3hty n GLY 81 Ca -0.12 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.98 0.66 -0.11 1.61 -2.07 -0.48 -5.15 119.66 111.15 3hty s GLN 82 Ca 0.00 -1.14 0.02 0.00 -1.82 0.00 0.00 55.36 52.42 3hty s GLN 82 Cb 0.00 -0.06 0.01 0.00 -1.09 0.00 0.00 33.01 31.88 3hty s GLN 82 CO 0.00 -0.04 -0.16 0.99 -1.32 0.00 0.00 175.29 174.76 3hty s THR 83 N -3.15 1.54 -0.20 3.63 2.01 -1.26 -1.84 115.64 116.36 3hty s THR 83 Ca 0.04 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.39 3hty s THR 83 Cb 0.02 -1.40 0.03 0.00 0.01 0.00 0.00 72.50 71.17 3hty s THR 83 CO -0.05 0.45 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.53 3hty s ILE 84 N 0.94 2.08 0.45 1.82 1.01 -0.24 -4.97 121.20 122.30 3hty s ILE 84 Ca -0.07 -1.15 -0.23 0.00 0.00 0.00 0.00 60.65 59.20 3hty s ILE 84 Cb -0.15 -1.98 -0.08 0.00 0.01 0.00 0.00 42.46 40.26 3hty s ILE 84 CO -0.01 0.36 1.12 -1.61 0.00 0.00 0.00 174.94 174.80 3hty s GLU 85 N 1.24 3.85 0.07 2.79 0.41 -1.26 -0.62 118.70 125.18 3hty s GLU 85 Ca 0.01 1.65 0.02 0.00 -0.41 0.00 0.00 54.97 56.23 3hty s GLU 85 Cb -0.15 -2.39 -0.04 0.00 -1.78 0.00 0.00 34.13 29.77 3hty s GLU 85 CO -0.11 -0.44 -0.07 -0.59 -0.49 0.00 0.00 175.26 173.57 3hty s PHE 86 N -1.63 0.76 -0.17 1.61 -0.12 0.31 -4.89 117.98 113.86 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 -0.25 -0.46 0.05 0.00 -0.63 0.00 0.00 43.02 41.73 3hty s PHE 86 CO 0.31 -0.15 -0.00 0.08 -0.05 0.00 0.00 175.22 175.40 3hty s VAL 87 N -2.86 0.76 -0.07 -2.49 1.01 -1.26 -1.92 120.40 113.58 3hty s VAL 87 Ca 0.03 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3hty s VAL 87 Cb 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 3hty s VAL 87 CO -0.03 -0.02 -0.09 -1.81 0.00 0.00 0.00 175.10 173.14 3hty s ASP 88 N 1.77 4.42 0.33 3.32 1.01 0.68 -4.96 116.67 123.25 3hty s ASP 88 Ca 0.00 -0.09 0.09 0.00 0.71 0.00 0.00 52.55 53.26 3hty s ASP 88 Cb -0.16 -1.09 -0.05 0.00 1.01 0.00 0.00 42.92 42.63 3hty s ASP 88 CO -0.07 0.34 0.02 -0.89 0.21 0.00 0.00 175.17 174.78 3hty s THR 89 N -0.71 2.75 -0.06 -1.27 2.01 -1.26 -0.34 115.64 116.76 3hty s THR 89 Ca 0.11 -1.95 0.04 0.00 0.31 0.00 0.00 61.69 60.20 3hty s THR 89 Cb -0.11 -2.81 -0.00 0.00 0.01 0.00 0.00 72.50 69.59 3hty s THR 89 CO 0.01 -0.22 -0.20 -1.81 -0.69 0.00 0.00 174.62 171.71 3hty s ASP 91 N -3.72 2.55 -0.38 3.53 1.01 -0.22 -4.72 116.67 114.71 3hty s ASP 91 Ca 0.35 -0.43 -0.25 0.00 0.71 0.00 0.00 52.55 52.92 3hty s ASP 91 Cb -0.01 -0.89 0.01 0.00 1.01 0.00 0.00 42.92 43.04 3hty s ASP 91 CO 0.20 0.16 0.88 -0.63 0.21 0.00 0.00 175.17 175.99 3hty s ILE 92 N 0.16 4.62 -0.12 0.77 1.01 0.09 -0.58 121.20 127.14 3hty s ILE 92 Ca -0.09 1.05 0.17 0.00 0.00 0.00 0.00 60.65 61.78 3hty s ILE 92 Cb -0.14 -4.31 -0.16 0.00 0.01 0.00 0.00 42.46 37.86 3hty s ILE 92 CO 0.04 -0.54 0.72 0.29 0.00 0.00 0.00 174.94 175.46 3hty n LYS 93 N 6.71 0.63 -3.65 2.79 4.76 0.10 -4.94 118.16 124.56 3hty n LYS 93 Ca 0.06 0.17 -0.13 0.00 -2.87 0.00 0.00 58.31 55.53 3hty n LYS 93 Cb 0.48 -1.76 -0.08 0.00 -1.84 0.00 0.00 35.03 31.84 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 -2.92 0.74 -0.23 1.97 3.52 -1.11 -4.94 118.95 115.98 3hty s ARG 94 Ca -0.04 0.91 -0.03 0.00 -0.13 0.00 0.00 55.73 56.44 3hty s ARG 94 Cb 0.09 0.35 0.12 0.00 -1.56 0.00 0.00 34.95 33.94 3hty s ARG 94 CO 0.82 -0.09 0.32 -1.17 -0.81 0.00 0.00 175.30 174.37 3hty s LEU 95 N 0.44 -0.44 0.00 -0.88 2.96 -1.26 -0.99 118.68 118.51 3hty s LEU 95 Ca -0.01 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 3hty s LEU 95 Cb -0.05 0.84 -0.01 0.00 0.50 0.00 0.00 46.19 47.48 3hty s LEU 95 CO -0.01 -0.31 0.08 0.35 -1.32 0.00 0.00 176.35 175.15 3hty n THR 96 N 5.35 0.00 0.10 3.68 -2.24 0.20 -4.54 114.28 116.83 3hty n THR 96 Ca -0.04 -1.56 0.05 0.00 -2.27 0.00 0.00 64.05 60.23 3hty n THR 96 Cb 0.50 0.53 0.48 0.00 -2.10 0.00 0.00 70.33 69.74 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 1.41 1.76 0.00 6.98 0.00 -1.95 -3.28 119.26 124.18 3hty h ALA 97 Ca -0.22 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3hty h ALA 97 Cb 0.80 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3hty h ALA 97 CO 0.35 0.20 -0.97 -0.25 0.00 0.00 0.00 179.25 178.58 3hty n ASP 98 N -4.46 1.22 -4.05 0.00 8.00 -1.26 -4.71 116.55 111.29 3hty n ASP 98 Ca 0.01 -0.46 -0.09 0.00 0.71 0.00 0.00 54.79 54.95 3hty n ASP 98 Cb 0.10 1.23 -0.11 0.00 -0.02 0.00 0.00 41.12 42.32 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 -2.65 0.51 -0.08 -2.24 1.04 -1.24 -1.48 113.70 107.57 3hty s SER 99 Ca 0.01 -0.71 -0.03 0.00 0.48 0.00 0.00 55.95 55.69 3hty s SER 99 Cb 0.09 0.12 0.05 0.00 0.10 0.00 0.00 66.02 66.37 3hty s SER 99 CO 0.50 -0.39 0.16 -0.22 0.98 0.00 0.00 173.24 174.27 3hty s LEU 100 N -2.08 0.11 -0.15 2.42 2.96 -0.77 -0.62 118.68 120.53 3hty s LEU 100 Ca -0.05 0.34 0.02 0.00 -0.22 0.00 0.00 54.13 54.22 3hty s LEU 100 Cb -0.03 0.33 0.01 0.00 0.50 0.00 0.00 46.19 47.00 3hty s LEU 100 CO -0.04 -0.22 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.87 3hty s VAL 101 N 2.02 2.06 -0.05 1.68 1.01 -0.16 -0.33 120.40 126.63 3hty s VAL 101 Ca -0.00 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.05 3hty s VAL 101 Cb -0.12 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 3hty s VAL 101 CO -0.06 0.55 -0.16 -0.76 0.00 0.00 0.00 175.10 174.66 3hty s LEU 102 N 0.98 2.62 -0.27 3.92 1.43 -0.30 0.02 118.68 127.08 3hty s LEU 102 Ca -0.03 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 3hty s LEU 102 Cb -0.15 -1.52 0.04 0.00 0.03 0.00 0.00 46.19 44.59 3hty s LEU 102 CO -0.06 0.33 -0.04 -0.62 0.23 0.00 0.00 176.35 176.19 3hty s ASP 103 N -0.66 4.52 -0.56 2.29 -1.08 0.25 -0.17 116.67 121.27 3hty s ASP 103 Ca 0.10 -1.05 -0.08 0.00 -0.52 0.00 0.00 52.55 51.01 3hty s ASP 103 Cb -0.11 -1.67 0.14 0.00 -1.46 0.00 0.00 42.92 39.83 3hty s ASP 103 CO 0.01 -0.18 0.42 0.21 0.52 0.00 0.00 175.17 176.15 3hty s ASN 104 N 1.28 5.70 -1.38 -0.34 3.84 -1.26 -1.06 114.94 121.73 3hty s ASN 104 Ca -0.02 -2.29 -0.06 0.00 0.21 0.00 0.00 52.86 50.70 3hty s ASN 104 Cb -0.18 -1.98 0.00 0.00 -0.55 0.00 0.00 41.25 38.54 3hty s ASN 104 CO -0.03 -0.58 0.41 1.67 -2.79 0.00 0.00 177.10 175.78 3hty n GLN 105 N 4.36 -2.35 -0.54 0.43 -0.06 -1.26 -4.74 117.38 113.22 3hty n GLN 105 Ca 0.00 0.33 0.00 0.00 -2.00 0.00 0.00 57.00 55.33 3hty n GLN 105 Cb 0.41 -4.14 0.00 0.00 -4.06 0.00 0.00 30.24 22.44 3hty n GLN 105 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3hty n GLY 106 N -2.06 0.89 3.64 1.69 0.00 -1.26 -5.23 105.19 102.86 3hty n GLY 106 Ca -0.27 -0.61 -0.06 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.27 0.43 -0.12 1.61 2.12 -1.26 -5.09 118.70 114.12 3hty s GLU 108 Ca 0.00 0.61 0.03 0.00 0.36 0.00 0.00 54.97 55.97 3hty s GLU 108 Cb 0.00 0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.55 3hty s GLU 108 CO 0.00 -0.07 -0.22 0.42 -0.54 0.00 0.00 175.26 174.85 3hty s ILE 109 N 0.75 2.21 -0.28 -3.70 1.09 0.77 -4.99 121.20 117.04 3hty s ILE 109 Ca -0.02 -0.95 -0.02 0.00 -1.10 0.00 0.00 60.65 58.55 3hty s ILE 109 Cb -0.04 -1.87 0.04 0.00 -1.06 0.00 0.00 42.46 39.53 3hty s ILE 109 CO -0.11 0.55 -0.01 -0.13 -0.10 0.00 0.00 174.94 175.14 3hty s ARG 110 N 0.50 2.65 0.20 2.79 0.52 -1.26 -1.16 118.95 123.18 3hty s ARG 110 Ca -0.14 -1.12 0.07 0.00 -0.52 0.00 0.00 55.73 54.02 3hty s ARG 110 Cb -0.17 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.12 3hty s ARG 110 CO 0.05 -0.53 0.04 0.71 0.02 0.00 0.00 175.30 175.60 3hty s TYR 111 N 1.31 2.90 0.02 -0.53 2.02 0.55 -4.65 117.35 118.97 3hty s TYR 111 Ca -0.02 -0.13 0.08 0.00 -0.37 0.00 0.00 57.07 56.63 3hty s TYR 111 Cb -0.18 -1.37 -0.02 0.00 -0.40 0.00 0.00 41.96 39.98 3hty s TYR 111 CO -0.02 0.53 -0.25 0.00 -1.57 0.00 0.00 175.55 174.25 3hty s ALA 112 N -1.87 2.08 0.06 3.71 0.00 -0.03 -1.85 121.76 123.86 3hty s ALA 112 Ca 0.29 -1.15 -0.31 0.00 0.00 0.00 0.00 51.96 50.80 3hty s ALA 112 Cb -0.09 -0.47 -0.09 0.00 0.00 0.00 0.00 23.12 22.48 3hty s ALA 112 CO 0.20 0.49 1.75 0.21 0.00 0.00 0.00 175.76 178.42 3hty s LYS 113 N -0.96 4.17 0.34 0.00 2.47 -0.55 -1.06 119.74 124.14 3hty s LYS 113 Ca 0.10 2.43 -0.29 0.00 -1.56 0.00 0.00 55.97 56.65 3hty s LYS 113 Cb -0.10 -3.74 -0.11 0.00 -1.46 0.00 0.00 37.83 32.43 3hty s LYS 113 CO 0.01 -0.81 1.44 -1.14 0.16 0.00 0.00 175.35 175.01 3hty s GLN 114 N 3.14 4.20 0.00 4.03 0.74 0.11 -4.91 119.66 126.96 3hty s GLN 114 Ca 0.78 2.44 0.20 0.00 0.05 0.00 0.00 55.36 58.83 3hty s GLN 114 Cb -0.41 -3.02 1.20 0.00 1.10 0.00 0.00 33.01 31.87 3hty s GLN 114 CO 0.35 -0.43 1.58 0.36 -0.55 0.00 0.00 175.29 176.59