#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i56 s GLU 2 N 0.00 4.23 0.23 0.03 2.12 -1.26 -4.99 118.70 119.06 3i56 s GLU 2 Ca 0.00 1.45 -0.32 0.00 0.36 0.00 0.00 54.97 56.46 3i56 s GLU 2 Cb 0.00 -2.55 -0.12 0.00 0.26 0.00 0.00 34.13 31.72 3i56 s GLU 2 CO 0.00 -0.07 1.66 0.00 -0.54 0.00 0.00 175.26 176.31 3i56 n ALA 3 N -0.03 2.53 0.13 6.30 0.00 -1.26 -4.90 120.51 123.27 3i56 n ALA 3 Ca 0.05 0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.87 3i56 n ALA 3 Cb 0.50 -2.48 0.21 0.00 0.00 0.00 0.00 19.45 17.69 3i56 n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3i56 h LEU 4 N 5.99 0.12 0.00 0.00 3.38 -1.94 -3.47 115.31 119.39 3i56 h LEU 4 Ca -0.44 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3i56 h LEU 4 Cb 1.22 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3i56 h LEU 4 CO 0.89 0.61 0.00 0.61 0.09 0.00 0.00 178.44 180.64 3i56 n GLY 5 N -0.01 0.57 3.54 0.83 0.00 -1.26 -4.69 105.19 104.16 3i56 n GLY 5 Ca -0.02 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 3i56 n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i56 s ALA 6 N -2.00 -1.86 -0.30 4.61 0.00 -1.26 -4.26 121.76 116.69 3i56 s ALA 6 Ca 0.00 1.31 -0.12 0.00 0.00 0.00 0.00 51.96 53.15 3i56 s ALA 6 Cb 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 3i56 s ALA 6 CO 0.00 -0.46 0.23 -0.51 0.00 0.00 0.00 175.76 175.01 3i56 s ASP 7 N -1.64 6.06 -0.17 0.00 -0.00 0.05 -4.94 116.67 116.03 3i56 s ASP 7 Ca -0.01 -0.11 -0.07 0.00 -0.00 0.00 0.00 52.55 52.37 3i56 s ASP 7 Cb -0.01 -2.14 -0.04 0.00 -0.00 0.00 0.00 42.92 40.74 3i56 s ASP 7 CO -0.01 -0.12 0.05 -0.69 -0.00 0.00 0.00 175.17 174.40 3i56 s VAL 8 N 1.79 4.70 -0.37 -1.27 1.01 -1.26 -0.24 120.40 124.77 3i56 s VAL 8 Ca 0.08 -0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 3i56 s VAL 8 Cb -0.16 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.12 3i56 s VAL 8 CO 0.11 0.47 0.23 -0.89 0.00 0.00 0.00 175.10 175.02 3i56 s THR 9 N 0.29 4.91 0.12 3.92 2.01 -1.26 -5.04 115.64 120.60 3i56 s THR 9 Ca 0.03 -0.60 -0.31 0.00 0.31 0.00 0.00 61.69 61.12 3i56 s THR 9 Cb -0.12 -3.65 -0.11 0.00 0.01 0.00 0.00 72.50 68.63 3i56 s THR 9 CO 0.00 -0.16 1.84 0.00 -0.69 0.00 0.00 174.62 175.62 3i56 n GLN 10 N 5.06 2.79 -0.00 4.92 3.00 -1.26 -4.82 117.38 127.06 3i56 n GLN 10 Ca -0.12 1.01 0.09 0.00 -0.01 0.00 0.00 57.00 57.98 3i56 n GLN 10 Cb 0.48 -2.91 -0.11 0.00 0.00 0.00 0.00 30.24 27.69 3i56 n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i56 n GLY 11 N 4.23 -0.83 3.63 1.08 0.00 -1.10 -4.91 105.19 107.29 3i56 n GLY 11 Ca 0.18 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 3i56 n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i56 s LEU 12 N -2.97 3.18 0.23 0.99 1.43 0.35 -4.95 118.68 116.93 3i56 s LEU 12 Ca 0.07 -0.57 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 3i56 s LEU 12 Cb 0.15 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 3i56 s LEU 12 CO 0.80 0.05 0.06 -1.61 0.23 0.00 0.00 176.35 175.87 3i56 s GLU 13 N -3.31 1.33 0.10 1.70 2.02 -1.26 -0.64 118.70 118.64 3i56 s GLU 13 Ca 0.29 -1.70 -0.31 0.00 0.02 0.00 0.00 54.97 53.27 3i56 s GLU 13 Cb -0.08 -0.32 -0.09 0.00 0.10 0.00 0.00 34.13 33.74 3i56 s GLU 13 CO 0.19 -0.22 1.65 0.21 0.02 0.00 0.00 175.26 177.10 3i56 s LYS 14 N -3.98 4.19 0.00 1.61 2.20 -0.66 -1.78 119.74 121.32 3i56 s LYS 14 Ca 0.33 2.37 0.00 0.00 -0.36 0.00 0.00 55.97 58.31 3i56 s LYS 14 Cb 0.07 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 3i56 s LYS 14 CO 0.11 -0.71 0.00 0.41 -0.36 0.00 0.00 175.35 174.79 3i56 n GLY 15 N 3.96 0.33 3.75 5.54 0.00 0.66 -4.98 105.19 114.45 3i56 n GLY 15 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3i56 n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i56 s SER 16 N -2.55 6.85 -0.36 1.61 0.01 -0.74 -4.71 113.70 113.81 3i56 s SER 16 Ca 0.00 2.53 -0.18 0.00 1.31 0.00 0.00 55.95 59.61 3i56 s SER 16 Cb 0.00 -2.63 -0.00 0.00 0.21 0.00 0.00 66.02 63.60 3i56 s SER 16 CO 0.00 -0.52 0.50 -0.76 0.41 0.00 0.00 173.24 172.87 3i56 s LEU 17 N -0.88 4.42 0.42 2.44 1.43 -1.26 -1.79 118.68 123.46 3i56 s LEU 17 Ca 0.53 -0.13 0.05 0.00 -1.03 0.00 0.00 54.13 53.54 3i56 s LEU 17 Cb -0.38 -2.55 -0.06 0.00 0.03 0.00 0.00 46.19 43.24 3i56 s LEU 17 CO 0.44 -0.49 0.03 0.27 0.23 0.00 0.00 176.35 176.83 3i56 s ILE 18 N 2.35 1.53 0.16 -0.59 -4.36 0.59 -4.97 121.20 115.91 3i56 s ILE 18 Ca 0.17 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.46 3i56 s ILE 18 Cb -0.16 -2.69 -0.07 0.00 1.25 0.00 0.00 42.46 40.79 3i56 s ILE 18 CO 0.13 0.00 0.50 -0.89 0.24 0.00 0.00 174.94 174.92 3i56 s THR 19 N -2.90 4.97 -0.65 8.37 2.01 -0.57 -0.65 115.64 126.22 3i56 s THR 19 Ca 0.27 0.52 -0.15 0.00 0.31 0.00 0.00 61.69 62.64 3i56 s THR 19 Cb 0.07 -3.66 0.16 0.00 0.01 0.00 0.00 72.50 69.08 3i56 s THR 19 CO 0.13 0.12 0.61 0.00 -0.69 0.00 0.00 174.62 174.79 3i56 n ALA 21 N 4.86 5.69 -3.81 0.00 0.00 0.47 -4.81 120.51 122.90 3i56 n ALA 21 Ca -0.04 -2.17 -0.09 0.00 0.00 0.00 0.00 53.44 51.15 3i56 n ALA 21 Cb 0.43 -2.81 0.02 0.00 0.00 0.00 0.00 19.45 17.09 3i56 n ALA 21 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3i56 s ASP 22 N 2.57 0.01 -0.32 0.00 1.47 -1.26 -2.55 116.67 116.58 3i56 s ASP 22 Ca 0.53 -1.14 0.10 0.00 1.18 0.00 0.00 52.55 53.22 3i56 s ASP 22 Cb 0.18 0.84 0.69 0.00 -0.34 0.00 0.00 42.92 44.30 3i56 s ASP 22 CO -0.03 -1.67 1.75 -0.46 0.68 0.00 0.00 175.17 175.44 3i56 n ASN 23 N -1.42 4.36 0.23 2.11 6.94 -1.02 -4.65 115.26 121.81 3i56 n ASN 23 Ca -0.08 -3.32 0.09 0.00 -0.02 0.00 0.00 54.58 51.25 3i56 n ASN 23 Cb 0.60 -0.73 0.57 0.00 -2.36 0.00 0.00 39.78 37.86 3i56 n ASN 23 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 3i56 h THR 24 N 2.20 0.79 0.00 5.53 1.35 -1.94 -3.46 112.91 117.38 3i56 h THR 24 Ca 0.28 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 3i56 h THR 24 Cb 2.25 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 70.17 3i56 h THR 24 CO 0.70 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 176.78 3i56 n GLY 25 N -0.52 1.09 3.71 5.82 0.00 -1.26 -4.96 105.19 109.07 3i56 n GLY 25 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3i56 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i56 s ALA 26 N -2.00 3.47 -0.25 4.61 0.00 -1.26 -1.04 121.76 125.28 3i56 s ALA 26 Ca 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 51.96 51.66 3i56 s ALA 26 Cb 0.00 -2.75 -0.11 0.00 0.00 0.00 0.00 23.12 20.27 3i56 s ALA 26 CO 0.00 -0.12 -0.33 0.54 0.00 0.00 0.00 175.76 175.85 3i56 n ARG 27 N 3.95 0.54 -5.16 0.00 1.74 -0.29 -4.64 116.66 112.80 3i56 n ARG 27 Ca -0.05 0.24 -0.32 0.00 -0.77 0.00 0.00 57.85 56.94 3i56 n ARG 27 Cb 0.51 -1.40 -0.17 0.00 -1.02 0.00 0.00 32.46 30.38 3i56 n ARG 27 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3i56 s GLU 28 N -2.50 3.03 0.11 5.56 2.12 -1.07 -1.97 118.70 123.98 3i56 s GLU 28 Ca -0.35 -0.87 0.05 0.00 0.36 0.00 0.00 54.97 54.16 3i56 s GLU 28 Cb 0.13 -2.30 -0.04 0.00 0.26 0.00 0.00 34.13 32.18 3i56 s GLU 28 CO 0.45 0.16 0.01 -0.51 -0.54 0.00 0.00 175.26 174.82 3i56 s LEU 29 N 0.39 3.44 -0.14 2.70 1.43 0.17 -0.81 118.68 125.86 3i56 s LEU 29 Ca -0.18 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 3i56 s LEU 29 Cb -0.18 -2.15 0.02 0.00 0.03 0.00 0.00 46.19 43.91 3i56 s LEU 29 CO 0.08 0.15 -0.13 -0.75 0.23 0.00 0.00 176.35 175.93 3i56 s LYS 30 N -2.50 2.17 0.23 1.70 2.20 0.52 -0.30 119.74 123.76 3i56 s LYS 30 Ca 0.26 -0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 55.07 3i56 s LYS 30 Cb -0.11 -2.01 -0.10 0.00 -1.51 0.00 0.00 37.83 34.10 3i56 s LYS 30 CO 0.19 -0.24 1.41 0.08 -0.36 0.00 0.00 175.35 176.42 3i56 s VAL 31 N 1.52 2.81 -0.04 4.02 1.01 -0.74 -1.32 120.40 127.65 3i56 s VAL 31 Ca 0.05 0.67 -0.01 0.00 0.00 0.00 0.00 61.98 62.69 3i56 s VAL 31 Cb -0.13 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 3i56 s VAL 31 CO -0.10 0.10 -0.05 -0.38 0.00 0.00 0.00 175.10 174.67 3i56 n ILE 32 N 2.47 0.23 -4.06 2.22 5.41 -0.06 -0.24 119.36 125.33 3i56 n ILE 32 Ca 0.07 -0.07 -0.11 0.00 1.00 0.00 0.00 62.75 63.64 3i56 n ILE 32 Cb 0.41 -1.28 -0.06 0.00 -0.71 0.00 0.00 39.64 38.00 3i56 n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 3i56 s SER 33 N -5.08 0.23 -0.06 4.38 0.01 -1.12 -4.79 113.70 107.27 3i56 s SER 33 Ca -0.06 -1.18 0.03 0.00 1.31 0.00 0.00 55.95 56.06 3i56 s SER 33 Cb 0.02 0.57 0.01 0.00 0.21 0.00 0.00 66.02 66.83 3i56 s SER 33 CO 0.08 -1.13 -0.14 -0.69 0.41 0.00 0.00 173.24 171.77 3i56 s VAL 34 N -3.77 1.27 0.30 3.43 1.01 -1.26 -0.69 120.40 120.68 3i56 s VAL 34 Ca 0.28 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.38 3i56 s VAL 34 Cb 0.01 -1.13 -0.11 0.00 0.00 0.00 0.00 36.38 35.15 3i56 s VAL 34 CO 0.13 0.38 1.48 -2.28 0.00 0.00 0.00 175.10 174.81 3i56 s HIS 35 N 0.41 2.86 -2.15 5.22 2.46 -0.07 -3.00 115.29 121.01 3i56 s HIS 35 Ca -0.11 1.01 0.00 0.00 0.47 0.00 0.00 55.06 56.43 3i56 s HIS 35 Cb -0.14 -3.92 0.00 0.00 -0.13 0.00 0.00 32.58 28.38 3i56 s HIS 35 CO 0.03 -2.94 0.00 0.41 -2.47 0.00 0.00 174.74 169.77 3i56 n GLY 36 N 1.72 1.58 3.80 1.59 0.00 -1.26 -4.83 105.19 107.79 3i56 n GLY 36 Ca 0.05 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3i56 n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i56 s TYR 37 N -2.82 3.34 -0.25 1.61 5.04 -1.16 -5.09 117.35 118.02 3i56 s TYR 37 Ca 0.00 0.25 -0.02 0.00 -2.44 0.00 0.00 57.07 54.86 3i56 s TYR 37 Cb 0.00 -1.77 0.14 0.00 0.35 0.00 0.00 41.96 40.68 3i56 s TYR 37 CO 0.00 0.58 0.39 0.45 -1.34 0.00 0.00 175.55 175.63 3i56 s SER 38 N -1.68 0.20 0.00 4.32 0.15 -1.26 -4.97 113.70 110.46 3i56 s SER 38 Ca 0.23 0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.03 3i56 s SER 38 Cb -0.12 1.16 0.00 0.00 -1.71 0.00 0.00 66.02 65.35 3i56 s SER 38 CO 0.13 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.88 3i56 n GLY 39 N 5.37 0.70 3.37 9.45 0.00 -1.26 -5.14 105.19 117.67 3i56 n GLY 39 Ca -0.03 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 3i56 n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i56 s THR 40 N 0.00 0.06 0.15 2.61 -1.32 -1.26 -5.11 115.64 110.77 3i56 s THR 40 Ca 0.00 -0.78 -0.34 0.00 -1.21 0.00 0.00 61.69 59.36 3i56 s THR 40 Cb 0.00 -1.39 -0.16 0.00 -1.51 0.00 0.00 72.50 69.45 3i56 s THR 40 CO 0.00 -0.28 1.31 1.17 -2.21 0.00 0.00 174.62 174.61 3i56 n LYS 41 N -0.25 1.39 0.00 7.08 4.81 -1.26 -2.24 118.16 127.69 3i56 n LYS 41 Ca -0.13 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 3i56 n LYS 41 Cb 0.63 -2.10 0.00 0.00 0.02 0.00 0.00 35.03 33.58 3i56 n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3i56 n ASN 42 N 2.38 0.00 -4.69 3.14 3.02 -1.26 -4.98 115.26 112.87 3i56 n ASN 42 Ca 0.16 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.29 3i56 n ASN 42 Cb 0.24 -0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 39.17 3i56 n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3i56 s ARG 43 N 0.00 4.32 0.00 3.52 3.52 -0.95 -5.00 118.95 124.36 3i56 s ARG 43 Ca 0.00 1.80 -0.30 0.00 -0.13 0.00 0.00 55.73 57.10 3i56 s ARG 43 Cb 0.00 -3.56 -0.05 0.00 -1.56 0.00 0.00 34.95 29.78 3i56 s ARG 43 CO 0.00 -0.50 1.29 -1.01 -0.81 0.00 0.00 175.30 174.27 3i56 s HIS 44 N 2.29 3.11 -0.05 5.12 3.76 -1.26 -4.69 115.29 123.58 3i56 s HIS 44 Ca 0.59 1.06 -0.31 0.00 -0.15 0.00 0.00 55.06 56.25 3i56 s HIS 44 Cb -0.28 -3.53 -0.10 0.00 1.11 0.00 0.00 32.58 29.78 3i56 s HIS 44 CO 0.24 -1.83 1.98 -0.35 -0.85 0.00 0.00 174.74 173.93 3i56 n PRO 45 N 4.93 2.48 -3.36 8.40 -0.04 -1.26 -4.83 135.00 141.31 3i56 n PRO 45 Ca 0.11 0.89 -0.38 0.00 -0.04 0.00 0.00 63.50 64.09 3i56 n PRO 45 Cb 0.45 -2.89 -0.06 0.00 -0.04 0.00 0.00 33.50 30.96 3i56 n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3i56 s LYS 46 N 4.59 4.06 0.08 0.54 -2.85 -1.26 -1.66 119.74 123.24 3i56 s LYS 46 Ca 0.92 0.58 0.05 0.00 -1.00 0.00 0.00 55.97 56.53 3i56 s LYS 46 Cb -0.53 -3.17 -0.03 0.00 -2.06 0.00 0.00 37.83 32.04 3i56 s LYS 46 CO 0.45 0.62 -0.15 0.00 0.10 0.00 0.00 175.35 176.38 3i56 s ALA 47 N -1.18 1.25 0.11 0.59 0.00 0.19 -4.93 121.76 117.80 3i56 s ALA 47 Ca 0.29 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 3i56 s ALA 47 Cb -0.18 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.85 3i56 s ALA 47 CO 0.17 0.17 0.20 0.41 0.00 0.00 0.00 175.76 176.72 3i56 n GLY 48 N 1.19 2.06 3.68 0.00 0.00 -1.26 -0.50 105.19 110.35 3i56 n GLY 48 Ca -0.20 -1.20 -0.48 0.00 0.00 0.00 0.00 46.02 44.14 3i56 n GLY 48 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i56 n LEU 49 N 0.00 3.30 0.00 0.99 0.00 -1.26 -1.63 117.00 118.39 3i56 n LEU 49 Ca -0.02 1.01 0.00 0.00 0.00 0.00 0.00 56.01 57.00 3i56 n LEU 49 Cb 0.17 -1.38 0.00 0.00 0.00 0.00 0.00 43.42 42.21 3i56 n LEU 49 CO 0.08 -0.14 0.00 0.61 0.00 0.00 0.00 177.39 177.94 3i56 n GLY 50 N 4.07 0.83 3.77 -3.96 0.00 -0.54 -4.97 105.19 104.40 3i56 n GLY 50 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 3i56 n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i56 s ASP 51 N -2.62 7.43 -0.46 1.61 1.01 -0.65 -4.85 116.67 118.14 3i56 s ASP 51 Ca 0.00 1.76 -0.19 0.00 0.71 0.00 0.00 52.55 54.83 3i56 s ASP 51 Cb 0.00 -2.54 0.04 0.00 1.01 0.00 0.00 42.92 41.42 3i56 s ASP 51 CO 0.00 0.11 0.58 -0.75 0.21 0.00 0.00 175.17 175.32 3i56 s LYS 52 N -1.45 3.16 0.37 8.23 2.20 -1.26 -2.26 119.74 128.73 3i56 s LYS 52 Ca 0.41 -0.70 0.07 0.00 -0.36 0.00 0.00 55.97 55.40 3i56 s LYS 52 Cb -0.22 -4.02 -0.01 0.00 -1.51 0.00 0.00 37.83 32.07 3i56 s LYS 52 CO 0.27 -1.06 0.47 0.96 -0.36 0.00 0.00 175.35 175.63 3i56 s ILE 53 N 2.55 3.44 -0.14 5.43 -4.36 -0.29 -0.89 121.20 126.94 3i56 s ILE 53 Ca 0.16 -1.09 -0.03 0.00 -0.26 0.00 0.00 60.65 59.43 3i56 s ILE 53 Cb -0.17 -3.18 -0.03 0.00 1.25 0.00 0.00 42.46 40.33 3i56 s ILE 53 CO 0.14 -0.08 -0.05 -0.89 0.24 0.00 0.00 174.94 174.30 3i56 s THR 54 N -2.29 3.81 0.12 8.37 2.01 0.13 -1.25 115.64 126.53 3i56 s THR 54 Ca 0.48 -0.39 0.03 0.00 0.31 0.00 0.00 61.69 62.12 3i56 s THR 54 Cb -0.08 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 3i56 s THR 54 CO 0.31 0.51 -0.08 0.68 -0.69 0.00 0.00 174.62 175.34 3i56 s VAL 55 N 0.25 0.89 0.00 3.82 -7.23 0.11 -0.88 120.40 117.36 3i56 s VAL 55 Ca -0.03 -1.96 0.08 0.00 -1.81 0.00 0.00 61.98 58.26 3i56 s VAL 55 Cb -0.14 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.05 3i56 s VAL 55 CO 0.03 -0.80 -0.26 -0.94 -0.31 0.00 0.00 175.10 172.82 3i56 s SER 56 N -3.05 3.09 -0.39 4.85 1.04 -0.43 -0.65 113.70 118.16 3i56 s SER 56 Ca 0.13 -0.51 -0.26 0.00 0.48 0.00 0.00 55.95 55.80 3i56 s SER 56 Cb 0.04 -0.33 0.02 0.00 0.10 0.00 0.00 66.02 65.85 3i56 s SER 56 CO -0.02 0.30 0.94 -0.69 0.98 0.00 0.00 173.24 174.75 3i56 s VAL 57 N -0.67 4.54 -0.16 5.02 1.01 -1.00 -0.35 120.40 128.78 3i56 s VAL 57 Ca 0.11 1.13 -0.25 0.00 0.00 0.00 0.00 61.98 62.96 3i56 s VAL 57 Cb -0.10 -4.37 -0.22 0.00 0.00 0.00 0.00 36.38 31.69 3i56 s VAL 57 CO -0.00 -0.62 0.55 0.74 0.00 0.00 0.00 175.10 175.78 3i56 h THR 58 N 5.89 1.42 -3.27 3.92 2.02 -1.30 -2.69 112.91 118.90 3i56 h THR 58 Ca -0.23 -2.22 -0.65 0.00 0.77 0.00 0.00 66.41 64.08 3i56 h THR 58 Cb 1.08 2.84 -0.19 0.00 -1.74 0.00 0.00 68.15 70.14 3i56 h THR 58 CO 1.00 0.48 -0.83 -0.54 0.37 0.00 0.00 175.52 176.01 3i56 s LYS 59 N -2.23 1.49 0.00 6.66 1.02 -1.11 -4.85 119.74 120.72 3i56 s LYS 59 Ca -0.21 -1.50 0.00 0.00 0.02 0.00 0.00 55.97 54.28 3i56 s LYS 59 Cb -0.00 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.48 3i56 s LYS 59 CO 0.62 0.40 0.00 0.41 -0.92 0.00 0.00 175.35 175.86 3i56 n GLY 60 N 0.34 0.80 3.77 -3.33 0.00 -1.26 -1.13 105.19 104.38 3i56 n GLY 60 Ca -0.13 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 3i56 n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i56 s THR 61 N -2.70 2.56 0.55 2.61 -4.23 -0.21 -4.77 115.64 109.46 3i56 s THR 61 Ca 0.00 0.56 0.39 0.00 -1.18 0.00 0.00 61.69 61.46 3i56 s THR 61 Cb 0.00 -3.36 0.58 0.00 1.34 0.00 0.00 72.50 71.06 3i56 s THR 61 CO 0.00 0.13 1.75 -0.65 -0.54 0.00 0.00 174.62 175.32 3i56 h PRO 62 N 3.25 0.00 0.12 3.99 0.11 -1.94 0.43 132.00 137.96 3i56 h PRO 62 Ca -0.49 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.32 3i56 h PRO 62 Cb 1.23 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.37 3i56 h PRO 62 CO 0.65 0.00 -1.24 0.93 -0.21 0.00 0.00 178.00 178.13 3i56 h GLU 63 N 0.00 0.57 0.00 1.05 4.39 -1.97 -3.32 114.58 115.30 3i56 h GLU 63 Ca 0.62 -0.78 -0.12 0.00 0.34 0.00 0.00 59.36 59.42 3i56 h GLU 63 Cb 2.51 0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 31.40 3i56 h GLU 63 CO -0.01 1.35 -0.69 0.52 -1.16 0.00 0.00 179.01 179.03 3i56 h MET 64 N 0.25 0.00 -7.04 2.33 2.86 -1.32 -3.47 114.93 108.54 3i56 h MET 64 Ca -0.18 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 56.92 3i56 h MET 64 Cb 1.91 0.00 0.12 0.00 0.06 0.00 0.00 31.60 33.69 3i56 h MET 64 CO 0.23 0.49 0.57 0.50 1.06 0.00 0.00 176.91 179.77 3i56 s ARG 65 N -2.94 3.28 0.00 1.72 3.52 -0.29 -3.33 118.95 120.90 3i56 s ARG 65 Ca 0.03 2.11 0.00 0.00 -0.13 0.00 0.00 55.73 57.74 3i56 s ARG 65 Cb 0.08 -2.28 0.00 0.00 -1.56 0.00 0.00 34.95 31.19 3i56 s ARG 65 CO 0.76 -1.04 0.00 0.54 -0.81 0.00 0.00 175.30 174.75 3i56 n ARG 66 N -0.92 0.00 -2.45 5.12 1.74 -1.02 -4.98 116.66 114.14 3i56 n ARG 66 Ca 0.10 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.79 3i56 n ARG 66 Cb 0.46 -2.77 -0.04 0.00 -1.02 0.00 0.00 32.46 29.09 3i56 n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3i56 s GLN 67 N -0.15 4.44 -0.71 5.56 -0.21 -1.21 -4.76 119.66 122.61 3i56 s GLN 67 Ca 0.00 1.76 -0.14 0.00 0.02 0.00 0.00 55.36 57.00 3i56 s GLN 67 Cb 0.00 -2.97 0.18 0.00 1.00 0.00 0.00 33.01 31.23 3i56 s GLN 67 CO 0.00 0.05 0.65 0.08 -2.12 0.00 0.00 175.29 173.95 3i56 s VAL 68 N -1.31 5.35 0.38 1.09 1.01 -1.26 -2.39 120.40 123.28 3i56 s VAL 68 Ca 0.49 -2.16 0.08 0.00 0.00 0.00 0.00 61.98 60.40 3i56 s VAL 68 Cb -0.30 -4.36 -0.05 0.00 0.00 0.00 0.00 36.38 31.67 3i56 s VAL 68 CO 0.38 -0.96 0.11 -0.76 0.00 0.00 0.00 175.10 173.87 3i56 s LEU 69 N 0.66 3.07 0.11 3.92 1.43 0.18 -4.94 118.68 123.10 3i56 s LEU 69 Ca 0.13 -1.05 -0.01 0.00 -1.03 0.00 0.00 54.13 52.17 3i56 s LEU 69 Cb -0.18 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 3i56 s LEU 69 CO -0.05 -0.42 0.28 -1.61 0.23 0.00 0.00 176.35 174.79 3i56 s GLU 70 N -3.83 3.50 0.25 1.70 2.02 -1.26 0.07 118.70 121.16 3i56 s GLU 70 Ca 0.38 -0.34 -0.07 0.00 0.02 0.00 0.00 54.97 54.97 3i56 s GLU 70 Cb 0.03 -2.96 -0.01 0.00 0.10 0.00 0.00 34.13 31.29 3i56 s GLU 70 CO 0.21 0.54 0.37 0.00 0.02 0.00 0.00 175.26 176.40 3i56 s ALA 71 N -1.61 0.40 -0.07 5.21 0.00 -0.38 -0.88 121.76 124.43 3i56 s ALA 71 Ca 0.37 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 51.09 3i56 s ALA 71 Cb -0.12 1.19 0.01 0.00 0.00 0.00 0.00 23.12 24.19 3i56 s ALA 71 CO 0.27 -0.76 -0.14 0.08 0.00 0.00 0.00 175.76 175.21 3i56 s VAL 72 N -3.86 1.28 -0.56 0.00 1.01 -0.71 -1.13 120.40 116.42 3i56 s VAL 72 Ca 0.29 -0.56 -0.28 0.00 0.00 0.00 0.00 61.98 61.43 3i56 s VAL 72 Cb 0.02 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.26 3i56 s VAL 72 CO 0.12 0.39 1.30 -0.69 0.00 0.00 0.00 175.10 176.22 3i56 s VAL 73 N 0.65 3.92 -0.14 2.92 1.01 -0.96 -1.54 120.40 126.26 3i56 s VAL 73 Ca -0.15 0.82 -0.18 0.00 0.00 0.00 0.00 61.98 62.47 3i56 s VAL 73 Cb -0.16 -4.57 -0.16 0.00 0.00 0.00 0.00 36.38 31.49 3i56 s VAL 73 CO 0.04 -1.23 0.37 0.58 0.00 0.00 0.00 175.10 174.87 3i56 h VAL 74 N 6.27 0.99 -3.00 2.92 2.07 -1.04 -1.44 116.25 123.02 3i56 h VAL 74 Ca -0.26 -1.83 -0.58 0.00 0.82 0.00 0.00 66.70 64.85 3i56 h VAL 74 Cb 1.07 1.95 -0.17 0.00 -1.52 0.00 0.00 31.29 32.63 3i56 h VAL 74 CO 1.18 0.33 -0.79 -0.13 0.02 0.00 0.00 177.57 178.18 3i56 s ARG 75 N -2.07 1.45 -0.05 1.57 0.52 -0.77 -3.92 118.95 115.69 3i56 s ARG 75 Ca -0.15 -1.54 -0.23 0.00 -0.52 0.00 0.00 55.73 53.29 3i56 s ARG 75 Cb -0.00 -1.59 0.05 0.00 0.52 0.00 0.00 34.95 33.92 3i56 s ARG 75 CO 0.44 0.32 0.51 1.14 0.02 0.00 0.00 175.30 177.73 3i56 s GLN 76 N -2.97 0.85 0.15 3.54 -2.07 -1.19 -0.63 119.66 117.34 3i56 s GLN 76 Ca 0.21 0.10 -0.02 0.00 -1.82 0.00 0.00 55.36 53.82 3i56 s GLN 76 Cb -0.06 0.40 -0.02 0.00 -1.09 0.00 0.00 33.01 32.24 3i56 s GLN 76 CO 0.10 -0.25 1.37 0.00 -1.32 0.00 0.00 175.29 175.19 3i56 h ARG 77 N 3.56 0.39 -6.58 9.60 3.08 -1.77 -2.52 114.38 120.13 3i56 h ARG 77 Ca -0.28 -0.37 -0.52 0.00 0.07 0.00 0.00 59.98 58.87 3i56 h ARG 77 Cb 1.16 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.31 3i56 h ARG 77 CO 0.38 1.03 0.51 0.21 -1.07 0.00 0.00 179.97 181.03 3i56 s LYS 78 N -3.42 4.52 0.52 0.04 2.47 -1.26 -4.24 119.74 118.37 3i56 s LYS 78 Ca -0.05 1.74 -0.22 0.00 -1.56 0.00 0.00 55.97 55.88 3i56 s LYS 78 Cb 0.10 -3.31 -0.07 0.00 -1.46 0.00 0.00 37.83 33.09 3i56 s LYS 78 CO 0.85 -0.07 1.09 -2.30 0.16 0.00 0.00 175.35 175.08 3i56 n PRO 79 N 3.03 1.32 -5.11 4.03 -0.02 -1.26 -4.81 135.00 132.18 3i56 n PRO 79 Ca 0.05 0.49 -0.29 0.00 -2.02 0.00 0.00 63.50 61.73 3i56 n PRO 79 Cb 0.46 -2.24 -0.15 0.00 -0.02 0.00 0.00 33.50 31.55 3i56 n PRO 79 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3i56 s ILE 80 N -1.36 1.94 -0.39 4.25 -4.36 -0.90 -4.08 121.20 116.30 3i56 s ILE 80 Ca 0.69 -1.12 -0.15 0.00 -0.26 0.00 0.00 60.65 59.82 3i56 s ILE 80 Cb -0.47 -1.62 0.01 0.00 1.25 0.00 0.00 42.46 41.63 3i56 s ILE 80 CO 0.52 0.48 0.30 -0.60 0.24 0.00 0.00 174.94 175.87 3i56 s ARG 81 N -0.75 3.18 0.62 0.37 3.52 0.67 -1.42 118.95 125.14 3i56 s ARG 81 Ca 0.10 -0.85 -0.13 0.00 -0.13 0.00 0.00 55.73 54.72 3i56 s ARG 81 Cb -0.09 -3.92 -0.03 0.00 -1.56 0.00 0.00 34.95 29.35 3i56 s ARG 81 CO -0.00 -0.65 1.03 1.03 -0.81 0.00 0.00 175.30 175.90 3i56 s ARG 82 N 1.75 3.44 0.47 5.12 0.52 -0.84 -0.77 118.95 128.64 3i56 s ARG 82 Ca 0.06 0.90 0.27 0.00 -0.52 0.00 0.00 55.73 56.45 3i56 s ARG 82 Cb -0.18 -2.06 1.32 0.00 0.52 0.00 0.00 34.95 34.55 3i56 s ARG 82 CO 0.11 -0.69 1.78 -1.35 0.02 0.00 0.00 175.30 175.16 3i56 h PRO 83 N -0.11 0.19 -0.04 3.54 0.11 -1.89 -0.02 132.00 133.78 3i56 h PRO 83 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3i56 h PRO 83 Cb 1.20 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3i56 h PRO 83 CO 0.60 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 178.12 3i56 n ASP 84 N -4.43 0.19 0.00 -2.05 5.75 -1.26 -4.88 116.55 109.87 3i56 n ASP 84 Ca 0.26 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 3i56 n ASP 84 Cb 1.07 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 41.13 3i56 n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i56 n GLY 85 N 0.55 2.77 3.75 6.12 0.00 -0.02 -5.03 105.19 113.34 3i56 n GLY 85 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3i56 n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i56 s THR 86 N -2.02 2.88 0.14 2.61 2.01 -1.26 -4.73 115.64 115.27 3i56 s THR 86 Ca 0.00 0.80 -0.08 0.00 0.31 0.00 0.00 61.69 62.71 3i56 s THR 86 Cb 0.00 -3.51 -0.06 0.00 0.01 0.00 0.00 72.50 68.94 3i56 s THR 86 CO 0.00 0.16 0.43 -0.13 -0.69 0.00 0.00 174.62 174.39 3i56 s ARG 87 N -0.99 3.74 -0.08 4.92 1.81 -1.26 -1.99 118.95 125.09 3i56 s ARG 87 Ca 0.53 0.13 -0.00 0.00 -1.72 0.00 0.00 55.73 54.67 3i56 s ARG 87 Cb -0.39 -2.87 0.02 0.00 -0.45 0.00 0.00 34.95 31.26 3i56 s ARG 87 CO 0.46 0.47 -0.05 0.08 -0.68 0.00 0.00 175.30 175.59 3i56 s VAL 88 N -1.57 0.73 0.12 3.52 1.01 -0.51 -4.92 120.40 118.79 3i56 s VAL 88 Ca 0.39 -0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.32 3i56 s VAL 88 Cb -0.13 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 3i56 s VAL 88 CO 0.21 0.31 -0.20 -1.59 0.00 0.00 0.00 175.10 173.82 3i56 s LYS 89 N 1.58 1.19 0.46 2.72 -2.85 -1.26 -2.12 119.74 119.46 3i56 s LYS 89 Ca 0.01 -1.25 0.07 0.00 -1.00 0.00 0.00 55.97 53.79 3i56 s LYS 89 Cb -0.13 -1.41 -0.01 0.00 -2.06 0.00 0.00 37.83 34.23 3i56 s LYS 89 CO -0.05 0.31 0.36 -0.06 0.10 0.00 0.00 175.35 176.01 3i56 s PHE 90 N -1.44 2.31 0.07 1.78 0.40 -0.95 -5.04 117.98 115.11 3i56 s PHE 90 Ca 0.10 -0.63 -0.15 0.00 -0.60 0.00 0.00 56.93 55.65 3i56 s PHE 90 Cb -0.09 -2.05 -0.21 0.00 0.51 0.00 0.00 43.02 41.19 3i56 s PHE 90 CO 0.05 -0.20 1.21 1.49 0.70 0.00 0.00 175.22 178.47 3i56 h GLU 91 N 1.00 0.66 -4.94 0.44 4.22 -1.93 -3.40 114.58 110.63 3i56 h GLU 91 Ca -0.40 -0.65 -0.50 0.00 0.08 0.00 0.00 59.36 57.90 3i56 h GLU 91 Cb 1.28 0.17 -0.13 0.00 0.50 0.00 0.00 28.75 30.56 3i56 h GLU 91 CO 0.60 1.25 -0.51 0.16 -2.18 0.00 0.00 179.01 178.32 3i56 s ASP 92 N -7.09 2.08 -0.26 1.04 -4.77 -1.26 -4.91 116.67 101.50 3i56 s ASP 92 Ca -0.11 -1.70 -0.09 0.00 -3.30 0.00 0.00 52.55 47.36 3i56 s ASP 92 Cb 0.07 0.52 -0.04 0.00 -1.09 0.00 0.00 42.92 42.38 3i56 s ASP 92 CO 0.89 -0.99 0.11 0.20 0.70 0.00 0.00 175.17 176.09 3i56 s ASN 93 N -3.47 5.46 0.04 2.11 0.01 -1.26 -3.19 114.94 114.65 3i56 s ASN 93 Ca 0.33 -0.13 0.01 0.00 -0.71 0.00 0.00 52.86 52.36 3i56 s ASN 93 Cb 0.03 -2.00 -0.03 0.00 0.41 0.00 0.00 41.25 39.67 3i56 s ASN 93 CO 0.21 -0.04 -0.06 0.00 -1.51 0.00 0.00 177.10 175.70 3i56 s ALA 94 N 1.66 0.50 0.05 0.60 0.00 0.19 -1.51 121.76 123.24 3i56 s ALA 94 Ca 0.07 -0.82 -0.00 0.00 0.00 0.00 0.00 51.96 51.20 3i56 s ALA 94 Cb -0.15 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 3i56 s ALA 94 CO 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 175.76 175.68 3i56 s ALA 95 N -1.84 0.48 -0.13 0.00 0.00 0.27 -0.35 121.76 120.19 3i56 s ALA 95 Ca -0.08 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 50.88 3i56 s ALA 95 Cb -0.07 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.26 3i56 s ALA 95 CO -0.01 -0.27 -0.21 0.08 0.00 0.00 0.00 175.76 175.35 3i56 s VAL 96 N -3.02 1.93 0.30 0.00 1.01 -0.59 -0.40 120.40 119.64 3i56 s VAL 96 Ca 0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 3i56 s VAL 96 Cb 0.01 -1.71 -0.11 0.00 0.00 0.00 0.00 36.38 34.58 3i56 s VAL 96 CO -0.06 0.53 1.44 -0.63 0.00 0.00 0.00 175.10 176.38 3i56 s ILE 97 N 0.76 2.45 0.17 2.22 1.01 -1.26 -1.74 121.20 124.80 3i56 s ILE 97 Ca -0.09 0.41 0.07 0.00 0.00 0.00 0.00 60.65 61.03 3i56 s ILE 97 Cb -0.16 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 3i56 s ILE 97 CO 0.00 0.08 -0.14 -0.69 0.00 0.00 0.00 174.94 174.19 3i56 s VAL 98 N -0.53 1.57 0.00 2.92 1.01 -0.06 -2.21 120.40 123.10 3i56 s VAL 98 Ca 0.56 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.53 3i56 s VAL 98 Cb -0.43 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.10 3i56 s VAL 98 CO 0.51 -0.52 0.00 -0.90 0.00 0.00 0.00 175.10 174.19 3i56 n ASP 99 N 0.01 0.00 -0.00 3.32 5.75 -0.67 -4.07 116.55 120.89 3i56 n ASP 99 Ca -0.11 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.57 3i56 n ASP 99 Cb 0.59 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.73 3i56 n ASP 99 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3i56 h GLU 100 N 0.00 0.58 -0.67 0.11 4.81 -1.99 -3.24 114.58 114.19 3i56 h GLU 100 Ca 0.00 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 3i56 h GLU 100 Cb 0.00 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.42 3i56 h GLU 100 CO 0.00 0.98 0.00 0.09 -0.73 0.00 0.00 179.01 179.35 3i56 n ASN 101 N -3.96 3.36 -1.76 1.04 3.02 -1.26 -4.91 115.26 110.79 3i56 n ASN 101 Ca -0.03 -2.39 -0.17 0.00 -0.03 0.00 0.00 54.58 51.95 3i56 n ASN 101 Cb 0.61 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 39.23 3i56 n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3i56 n GLU 102 N 0.47 -1.31 -4.24 3.52 1.02 -1.22 -5.03 120.64 113.85 3i56 n GLU 102 Ca 0.16 0.90 -0.34 0.00 -0.02 0.00 0.00 57.16 57.85 3i56 n GLU 102 Cb 0.68 -5.28 -0.08 0.00 -0.02 0.00 0.00 31.44 26.74 3i56 n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3i56 s ASP 103 N -2.40 5.46 0.32 1.62 1.01 -1.26 -4.64 116.67 116.77 3i56 s ASP 103 Ca 0.00 0.16 -0.29 0.00 0.71 0.00 0.00 52.55 53.13 3i56 s ASP 103 Cb 0.00 -1.56 -0.11 0.00 1.01 0.00 0.00 42.92 42.26 3i56 s ASP 103 CO 0.00 0.34 1.51 -2.16 0.21 0.00 0.00 175.17 175.08 3i56 s PRO 104 N -1.20 4.15 0.23 8.23 0.04 -1.26 -1.67 135.00 143.53 3i56 s PRO 104 Ca 0.17 2.52 -0.01 0.00 0.04 0.00 0.00 61.00 63.71 3i56 s PRO 104 Cb -0.12 -3.02 0.25 0.00 0.04 0.00 0.00 34.50 31.66 3i56 s PRO 104 CO 0.06 -0.54 1.63 -0.09 0.04 0.00 0.00 177.00 178.10 3i56 h ARG 105 N 4.06 0.59 0.00 4.56 2.43 -1.76 -3.46 114.38 120.81 3i56 h ARG 105 Ca -0.48 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.41 3i56 h ARG 105 Cb 1.23 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3i56 h ARG 105 CO 0.72 0.85 0.00 0.41 -1.51 0.00 0.00 179.97 180.44 3i56 n GLY 106 N -0.14 0.44 0.43 2.80 0.00 -1.26 -4.99 105.19 102.47 3i56 n GLY 106 Ca -0.01 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.05 3i56 n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i56 n THR 107 N -0.88 0.57 -4.57 2.61 -1.04 -1.26 -5.02 114.28 104.70 3i56 n THR 107 Ca 0.00 -0.17 -0.33 0.00 -2.04 0.00 0.00 64.05 61.50 3i56 n THR 107 Cb 0.00 -1.33 -0.13 0.00 -1.82 0.00 0.00 70.33 67.05 3i56 n THR 107 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3i56 s GLU 108 N -2.19 3.36 -0.27 -2.82 2.02 -1.26 -5.01 118.70 112.52 3i56 s GLU 108 Ca -0.14 -0.58 -0.12 0.00 0.02 0.00 0.00 54.97 54.15 3i56 s GLU 108 Cb 0.05 -2.75 -0.05 0.00 0.10 0.00 0.00 34.13 31.48 3i56 s GLU 108 CO 0.20 0.34 0.26 -0.51 0.02 0.00 0.00 175.26 175.56 3i56 s LEU 109 N 0.07 4.04 0.05 1.80 1.43 -1.26 -2.44 118.68 122.38 3i56 s LEU 109 Ca -0.02 0.11 -0.27 0.00 -1.03 0.00 0.00 54.13 52.93 3i56 s LEU 109 Cb -0.14 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 3i56 s LEU 109 CO 0.03 -0.09 0.83 -0.54 0.23 0.00 0.00 176.35 176.82 3i56 s LYS 110 N 1.81 4.55 0.10 1.70 1.02 -1.06 -4.49 119.74 123.37 3i56 s LYS 110 Ca 0.10 1.18 0.00 0.00 0.02 0.00 0.00 55.97 57.27 3i56 s LYS 110 Cb -0.16 -3.38 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 3i56 s LYS 110 CO 0.10 0.23 0.00 0.41 -0.92 0.00 0.00 175.35 175.17 3i56 n GLY 111 N 2.44 -1.76 3.78 -3.33 0.00 -1.26 -4.68 105.19 100.38 3i56 n GLY 111 Ca -0.00 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.29 3i56 n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i56 s PRO 112 N -1.79 1.95 0.11 1.61 0.04 -1.26 -4.54 135.00 131.13 3i56 s PRO 112 Ca 0.00 0.74 0.03 0.00 0.04 0.00 0.00 61.00 61.82 3i56 s PRO 112 Cb 0.00 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 3i56 s PRO 112 CO 0.00 -1.74 -0.09 0.42 0.04 0.00 0.00 177.00 175.64 3i56 s ILE 113 N -3.07 0.90 0.13 0.56 1.01 -0.71 -4.78 121.20 115.23 3i56 s ILE 113 Ca 0.61 -1.85 -0.16 0.00 0.00 0.00 0.00 60.65 59.25 3i56 s ILE 113 Cb -0.15 -1.59 -0.07 0.00 0.01 0.00 0.00 42.46 40.65 3i56 s ILE 113 CO 0.55 -0.72 0.57 0.00 0.00 0.00 0.00 174.94 175.34 3i56 s ALA 114 N -3.10 3.57 0.36 9.38 0.00 -1.25 -0.22 121.76 130.49 3i56 s ALA 114 Ca 0.10 -0.06 0.38 0.00 0.00 0.00 0.00 51.96 52.39 3i56 s ALA 114 Cb 0.01 -2.58 1.95 0.00 0.00 0.00 0.00 23.12 22.50 3i56 s ALA 114 CO -0.02 0.43 2.16 0.07 0.00 0.00 0.00 175.76 178.40 3i56 h ARG 115 N 3.84 0.00 0.00 0.00 0.11 -1.80 -2.46 114.38 114.07 3i56 h ARG 115 Ca -0.49 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.49 3i56 h ARG 115 Cb 1.20 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.27 3i56 h ARG 115 CO 0.65 0.00 -0.47 0.93 0.10 0.00 0.00 179.97 181.18 3i56 h GLU 116 N 0.00 0.00 0.00 0.08 3.07 -1.87 -3.02 114.58 112.84 3i56 h GLU 116 Ca 0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 3i56 h GLU 116 Cb 0.15 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 3i56 h GLU 116 CO 0.00 0.47 -0.41 0.28 -1.40 0.00 0.00 179.01 177.95 3i56 h VAL 117 N 0.00 0.93 -0.66 3.13 2.07 -1.77 -3.17 116.25 116.78 3i56 h VAL 117 Ca -0.00 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 3i56 h VAL 117 Cb 1.07 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.80 3i56 h VAL 117 CO 0.06 0.40 0.38 0.00 0.02 0.00 0.00 177.57 178.44 3i56 h ALA 118 N 1.59 1.43 -0.24 1.67 0.00 -1.65 -0.96 119.26 121.11 3i56 h ALA 118 Ca -0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 3i56 h ALA 118 Cb 0.96 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3i56 h ALA 118 CO 0.05 0.48 -0.48 1.96 0.00 0.00 0.00 179.25 181.27 3i56 h GLN 119 N 0.91 0.65 0.00 0.00 4.20 -1.68 -3.29 115.11 115.90 3i56 h GLN 119 Ca 0.24 -0.37 -0.07 0.00 0.06 0.00 0.00 58.65 58.50 3i56 h GLN 119 Cb -0.01 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3i56 h GLN 119 CO -0.04 0.99 -0.41 0.00 -0.67 0.00 0.00 178.83 178.70 3i56 h ARG 120 N 0.52 0.00 -3.58 1.46 3.08 -1.63 -3.43 114.38 110.80 3i56 h ARG 120 Ca 0.03 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.42 3i56 h ARG 120 Cb 1.02 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.68 3i56 h ARG 120 CO 0.10 0.94 -0.55 -0.06 -1.07 0.00 0.00 179.97 179.32 3i56 s PHE 121 N -2.24 3.31 0.17 3.04 0.40 -0.38 -5.00 117.98 117.28 3i56 s PHE 121 Ca -0.21 -3.00 -0.13 0.00 -0.60 0.00 0.00 56.93 52.98 3i56 s PHE 121 Cb 0.00 -2.96 0.07 0.00 0.51 0.00 0.00 43.02 40.64 3i56 s PHE 121 CO 0.62 -0.79 1.75 0.78 0.70 0.00 0.00 175.22 178.28 3i56 h GLY 122 N 6.78 0.87 1.88 4.36 0.00 -1.80 -2.98 103.07 112.19 3i56 h GLY 122 Ca -0.06 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3i56 h GLY 122 CO 0.68 0.42 0.00 -1.14 0.00 0.00 0.00 176.54 176.50 3i56 n SER 123 N -4.55 0.00 0.02 0.19 3.41 -1.26 -1.40 113.62 110.03 3i56 n SER 123 Ca 0.03 0.36 -0.14 0.00 -0.26 0.00 0.00 58.87 58.86 3i56 n SER 123 Cb 0.12 -0.44 -0.14 0.00 -0.26 0.00 0.00 64.21 63.49 3i56 n SER 123 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3i56 h VAL 124 N 0.00 0.93 -0.13 -3.33 2.07 -1.80 -3.32 116.25 110.67 3i56 h VAL 124 Ca 0.00 -2.68 -0.08 0.00 0.82 0.00 0.00 66.70 64.76 3i56 h VAL 124 Cb 0.31 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 3i56 h VAL 124 CO 0.00 0.72 -0.25 0.00 0.02 0.00 0.00 177.57 178.06 3i56 h ALA 125 N 0.61 0.20 0.00 1.67 0.00 -1.26 -2.63 119.26 117.86 3i56 h ALA 125 Ca -0.29 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3i56 h ALA 125 Cb 2.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.76 3i56 h ALA 125 CO 0.11 0.19 0.00 -1.13 0.00 0.00 0.00 179.25 178.42 3i56 n SER 126 N -4.45 0.24 0.00 0.00 3.41 -0.49 -1.43 113.62 110.90 3i56 n SER 126 Ca -0.07 -1.58 0.00 0.00 -0.26 0.00 0.00 58.87 56.96 3i56 n SER 126 Cb 0.44 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 3i56 n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i56 n ALA 127 N -0.32 1.51 -1.78 7.33 0.00 -1.13 -5.04 120.51 121.09 3i56 n ALA 127 Ca 0.00 -0.05 -0.38 0.00 0.00 0.00 0.00 53.44 53.01 3i56 n ALA 127 Cb 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.46 3i56 n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i56 s ALA 128 N -0.63 3.21 -0.10 0.00 0.00 -0.51 -4.10 121.76 119.63 3i56 s ALA 128 Ca 0.00 0.63 -0.01 0.00 0.00 0.00 0.00 51.96 52.58 3i56 s ALA 128 Cb 0.00 -3.23 -0.00 0.00 0.00 0.00 0.00 23.12 19.89 3i56 s ALA 128 CO 0.00 0.02 -0.02 1.15 0.00 0.00 0.00 175.76 176.91 3i56 h THR 129 N 2.60 0.00 -3.88 0.00 2.02 -1.83 -3.46 112.91 108.35 3i56 h THR 129 Ca -0.47 -0.96 -0.68 0.00 0.77 0.00 0.00 66.41 65.07 3i56 h THR 129 Cb 1.20 0.00 -0.27 0.00 -1.74 0.00 0.00 68.15 67.34 3i56 h THR 129 CO 0.65 0.00 -0.81 -0.04 0.37 0.00 0.00 175.52 175.69 3i56 s MET 130 N -1.60 2.71 -0.20 6.66 -1.94 -1.26 -5.10 119.30 118.57 3i56 s MET 130 Ca -0.02 -0.77 0.00 0.00 -1.71 0.00 0.00 55.69 53.20 3i56 s MET 130 Cb 0.00 -2.35 0.05 0.00 2.01 0.00 0.00 34.83 34.54 3i56 s MET 130 CO 0.02 0.44 -0.07 0.42 -0.01 0.00 0.00 175.02 175.83 3i56 s ILE 131 N -0.28 1.43 -2.34 2.53 1.01 -1.26 -1.74 121.20 120.56 3i56 s ILE 131 Ca 0.01 -0.98 0.19 0.00 0.00 0.00 0.00 60.65 59.87 3i56 s ILE 131 Cb -0.13 -1.62 0.15 0.00 0.01 0.00 0.00 42.46 40.87 3i56 s ILE 131 CO 0.03 0.05 1.09 0.52 0.00 0.00 0.00 174.94 176.62