#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4u n SER 2 N 0.00 -0.67 -3.64 1.61 2.88 -1.26 -5.00 113.62 107.54 1x4u n SER 2 Ca 0.00 0.84 -0.09 0.00 -1.33 0.00 0.00 58.87 58.28 1x4u n SER 2 Cb 0.00 -1.18 -0.07 0.00 -0.75 0.00 0.00 64.21 62.21 1x4u n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4u s SER 3 N -1.03 -0.46 0.00 -3.46 0.15 -1.26 -5.17 113.70 102.47 1x4u s SER 3 Ca 0.66 0.88 0.00 0.00 0.70 0.00 0.00 55.95 58.19 1x4u s SER 3 Cb -0.52 0.89 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1x4u s SER 3 CO 0.56 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.45 1x4u n GLY 4 N 2.19 1.29 3.09 9.45 0.00 -1.26 -5.10 105.19 114.85 1x4u n GLY 4 Ca -0.12 -2.20 -0.20 0.00 0.00 0.00 0.00 46.02 43.50 1x4u n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4u s SER 5 N 0.00 1.44 -0.02 1.61 0.15 -1.26 -5.15 113.70 110.46 1x4u s SER 5 Ca 0.00 -0.31 0.06 0.00 0.70 0.00 0.00 55.95 56.40 1x4u s SER 5 Cb 0.00 -0.13 -0.01 0.00 -1.71 0.00 0.00 66.02 64.17 1x4u s SER 5 CO 0.00 0.09 -0.22 -0.55 1.20 0.00 0.00 173.24 173.76 1x4u s SER 6 N -0.63 2.55 -0.29 5.45 0.15 -1.26 -5.13 113.70 114.55 1x4u s SER 6 Ca 0.03 -0.40 -0.27 0.00 0.70 0.00 0.00 55.95 56.01 1x4u s SER 6 Cb -0.06 -0.36 0.19 0.00 -1.71 0.00 0.00 66.02 64.08 1x4u s SER 6 CO 0.00 0.25 1.38 -0.83 1.20 0.00 0.00 173.24 175.24 1x4u s GLY 7 N -0.43 0.20 -0.15 9.45 0.00 -1.26 -5.18 107.32 109.96 1x4u s GLY 7 Ca 0.06 3.15 -0.29 0.00 0.00 0.00 0.00 44.72 47.64 1x4u s GLY 7 CO -0.00 1.55 0.83 -1.60 0.00 0.00 0.00 173.10 173.88 1x4u s ARG 8 N -0.45 0.81 -0.13 2.90 3.52 -1.26 -5.17 118.95 119.17 1x4u s ARG 8 Ca 0.08 0.39 -0.09 0.00 -0.13 0.00 0.00 55.73 55.98 1x4u s ARG 8 Cb -0.03 0.38 0.04 0.00 -1.56 0.00 0.00 34.95 33.78 1x4u s ARG 8 CO -0.11 -0.21 0.31 0.71 -0.81 0.00 0.00 175.30 175.19 1x4u s TYR 9 N -0.71 -0.40 1.00 5.12 2.02 -1.26 -5.17 117.35 117.95 1x4u s TYR 9 Ca -0.04 0.92 -0.12 0.00 -0.37 0.00 0.00 57.07 57.45 1x4u s TYR 9 Cb -0.02 0.13 0.19 0.00 -0.40 0.00 0.00 41.96 41.86 1x4u s TYR 9 CO 0.04 -0.23 1.09 -1.25 -1.57 0.00 0.00 175.55 173.63 1x4u s PRO 10 N 0.78 0.45 -0.30 -1.71 0.04 -1.26 -5.08 135.00 127.92 1x4u s PRO 10 Ca -0.05 0.54 -0.17 0.00 0.04 0.00 0.00 61.00 61.36 1x4u s PRO 10 Cb -0.06 -1.74 0.18 0.00 0.04 0.00 0.00 34.50 32.92 1x4u s PRO 10 CO -0.05 -2.72 1.14 -0.08 0.04 0.00 0.00 177.00 175.32 1x4u s THR 11 N -2.96 -0.25 -0.29 1.26 -1.32 -1.26 -5.17 115.64 105.65 1x4u s THR 11 Ca 0.65 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.97 1x4u s THR 11 Cb -0.19 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 69.97 1x4u s THR 11 CO 0.58 0.00 1.06 0.21 -2.21 0.00 0.00 174.62 174.26 1x4u s ASN 12 N 2.13 -0.38 -0.78 8.08 2.47 -1.26 -5.10 114.94 120.11 1x4u s ASN 12 Ca -0.02 0.59 -0.36 0.00 0.42 0.00 0.00 52.86 53.50 1x4u s ASN 12 Cb -0.03 1.20 -0.20 0.00 -1.45 0.00 0.00 41.25 40.76 1x4u s ASN 12 CO -0.16 -0.09 2.47 0.59 -3.72 0.00 0.00 177.10 176.18 1x4u n ASN 13 N 3.68 0.58 -4.46 -4.21 4.13 -1.26 -4.82 115.26 108.91 1x4u n ASN 13 Ca -0.17 0.35 -0.43 0.00 1.68 0.00 0.00 54.58 56.01 1x4u n ASN 13 Cb 0.57 -0.94 -0.03 0.00 -1.54 0.00 0.00 39.78 37.83 1x4u n ASN 13 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1x4u s PHE 14 N 7.92 2.84 -0.29 3.10 -0.71 -1.26 -4.78 117.98 124.80 1x4u s PHE 14 Ca 1.28 -0.89 0.20 0.00 -1.04 0.00 0.00 56.93 56.48 1x4u s PHE 14 Cb -1.30 -4.31 0.48 0.00 -1.21 0.00 0.00 43.02 36.67 1x4u s PHE 14 CO 0.55 -1.60 1.16 0.41 -1.34 0.00 0.00 175.22 174.40 1x4u n GLY 15 N 5.49 1.76 3.28 1.99 0.00 -1.26 -5.11 105.19 111.34 1x4u n GLY 15 Ca 0.09 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 1x4u n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x4u s ASN 16 N -3.15 0.25 0.89 1.61 0.02 -1.26 -4.17 114.94 109.13 1x4u s ASN 16 Ca 0.24 -1.34 -0.12 0.00 -1.02 0.00 0.00 52.86 50.61 1x4u s ASN 16 Cb 0.37 0.44 0.07 0.00 0.02 0.00 0.00 41.25 42.14 1x4u s ASN 16 CO -0.04 -0.92 0.75 0.00 0.02 0.00 0.00 177.10 176.91 1x4u n THR 18 N -3.58 0.50 0.04 0.00 -1.04 -1.07 -3.28 114.28 105.85 1x4u n THR 18 Ca 0.10 -0.70 0.00 0.00 -2.04 0.00 0.00 64.05 61.41 1x4u n THR 18 Cb 0.52 0.81 0.00 0.00 -1.82 0.00 0.00 70.33 69.84 1x4u n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1x4u n GLY 19 N 1.45 -0.06 1.06 3.41 0.00 -1.26 -4.82 105.19 104.97 1x4u n GLY 19 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.31 1x4u n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4u n SER 21 N 1.24 -1.19 -4.35 0.00 3.41 -1.20 -4.84 113.62 106.68 1x4u n SER 21 Ca 0.19 -1.18 -0.45 0.00 -0.26 0.00 0.00 58.87 57.16 1x4u n SER 21 Cb 0.55 -1.51 -0.05 0.00 -0.26 0.00 0.00 64.21 62.94 1x4u n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x4u s ALA 22 N -3.36 3.50 0.40 7.33 0.00 -1.26 -4.63 121.76 123.72 1x4u s ALA 22 Ca 0.63 -2.33 -0.19 0.00 0.00 0.00 0.00 51.96 50.07 1x4u s ALA 22 Cb -0.37 -3.43 -0.15 0.00 0.00 0.00 0.00 23.12 19.17 1x4u s ALA 22 CO 0.97 -2.22 0.04 2.41 0.00 0.00 0.00 175.76 176.95 1x4u n THR 23 N 5.44 0.48 -3.08 0.00 -1.04 -1.26 -3.79 114.28 111.03 1x4u n THR 23 Ca -0.11 -0.47 -0.44 0.00 -2.04 0.00 0.00 64.05 60.99 1x4u n THR 23 Cb 0.42 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.87 1x4u n THR 23 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1x4u s PHE 24 N -1.64 2.98 1.14 -1.42 0.08 -1.26 -4.92 117.98 112.94 1x4u s PHE 24 Ca 0.55 -0.55 -0.19 0.00 0.12 0.00 0.00 56.93 56.86 1x4u s PHE 24 Cb -0.57 -3.76 0.27 0.00 -0.57 0.00 0.00 43.02 38.39 1x4u s PHE 24 CO 0.60 -1.17 1.19 0.45 -0.10 0.00 0.00 175.22 176.18 1x4u s SER 25 N 2.97 1.48 0.47 1.36 0.15 -1.25 -4.86 113.70 114.01 1x4u s SER 25 Ca 0.17 0.45 0.21 0.00 0.70 0.00 0.00 55.95 57.47 1x4u s SER 25 Cb -0.19 -0.57 1.22 0.00 -1.71 0.00 0.00 66.02 64.77 1x4u s SER 25 CO 0.12 -3.76 1.94 -0.37 1.20 0.00 0.00 173.24 172.37 1x4u h VAL 26 N -2.34 0.74 0.00 4.45 -1.51 -2.05 -2.82 116.25 112.72 1x4u h VAL 26 Ca -0.44 -0.08 -0.01 0.00 -1.23 0.00 0.00 66.70 64.95 1x4u h VAL 26 Cb 1.27 0.50 -0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1x4u h VAL 26 CO 0.32 0.04 -0.10 -0.07 -1.23 0.00 0.00 177.57 176.54 1x4u h LEU 27 N 0.22 0.00 -9.12 4.19 -0.00 -2.01 -3.44 115.31 105.15 1x4u h LEU 27 Ca 0.34 -0.21 -0.58 0.00 -0.00 0.00 0.00 57.88 57.44 1x4u h LEU 27 Cb 1.01 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.68 1x4u h LEU 27 CO -0.07 0.65 1.36 1.17 -0.00 0.00 0.00 178.44 181.55 1x4u n LYS 28 N -4.72 2.27 -3.15 1.13 4.81 -1.06 -4.93 118.16 112.50 1x4u n LYS 28 Ca -0.04 0.74 -0.41 0.00 -0.87 0.00 0.00 58.31 57.73 1x4u n LYS 28 Cb 0.14 -3.05 -0.07 0.00 0.02 0.00 0.00 35.03 32.08 1x4u n LYS 28 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1x4u s LYS 29 N 5.43 3.71 -0.37 1.64 -2.85 -1.26 -3.94 119.74 122.10 1x4u s LYS 29 Ca 0.96 0.04 -0.38 0.00 -1.00 0.00 0.00 55.97 55.59 1x4u s LYS 29 Cb -0.44 -3.79 -0.14 0.00 -2.06 0.00 0.00 37.83 31.40 1x4u s LYS 29 CO 0.40 -0.67 2.12 -2.13 0.10 0.00 0.00 175.35 175.17 1x4u n ARG 30 N 5.91 0.86 -3.14 1.78 0.63 -1.26 -4.68 116.66 116.76 1x4u n ARG 30 Ca -0.02 0.25 -0.30 0.00 -0.92 0.00 0.00 57.85 56.85 1x4u n ARG 30 Cb 0.49 -2.21 -0.04 0.00 0.45 0.00 0.00 32.46 31.15 1x4u n ARG 30 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1x4u s ARG 31 N 5.81 3.75 -0.17 -0.14 0.52 0.12 -4.91 118.95 123.93 1x4u s ARG 31 Ca 1.10 0.29 0.01 0.00 -0.52 0.00 0.00 55.73 56.61 1x4u s ARG 31 Cb -1.02 -2.52 0.01 0.00 0.52 0.00 0.00 34.95 31.93 1x4u s ARG 31 CO 0.55 0.13 -0.18 -1.12 0.02 0.00 0.00 175.30 174.70 1x4u s SER 32 N -2.95 3.37 1.04 0.23 0.01 -1.26 -0.87 113.70 113.27 1x4u s SER 32 Ca 0.48 -0.58 -0.13 0.00 1.31 0.00 0.00 55.95 57.04 1x4u s SER 32 Cb -0.11 -1.52 0.17 0.00 0.21 0.00 0.00 66.02 64.78 1x4u s SER 32 CO 0.28 0.03 0.83 0.00 0.41 0.00 0.00 173.24 174.79 1x4u n SER 34 N -3.67 0.90 0.00 0.00 7.64 -0.81 -3.89 113.62 113.79 1x4u n SER 34 Ca 0.07 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1x4u n SER 34 Cb 0.54 0.74 0.00 0.00 -1.01 0.00 0.00 64.21 64.49 1x4u n SER 34 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1x4u n ASN 35 N -2.72 0.00 -0.01 6.43 5.15 -1.26 -4.53 115.26 118.31 1x4u n ASN 35 Ca -0.30 0.18 -0.04 0.00 -0.60 0.00 0.00 54.58 53.82 1x4u n ASN 35 Cb 1.05 -0.25 0.18 0.00 -0.53 0.00 0.00 39.78 40.23 1x4u n ASN 35 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1x4u n GLY 37 N -0.40 0.68 3.92 0.00 0.00 -1.25 -5.02 105.19 103.11 1x4u n GLY 37 Ca 0.00 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 1x4u n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x4u s ASN 38 N -3.00 4.95 0.07 1.61 0.01 -1.26 -4.70 114.94 112.62 1x4u s ASN 38 Ca 0.04 -0.91 -0.24 0.00 -0.71 0.00 0.00 52.86 51.04 1x4u s ASN 38 Cb -0.02 -0.10 -0.06 0.00 0.41 0.00 0.00 41.25 41.48 1x4u s ASN 38 CO 0.05 -0.93 0.72 -0.94 -1.51 0.00 0.00 177.10 174.49 1x4u s SER 39 N -4.28 7.21 0.14 -1.22 1.04 -1.26 -0.95 113.70 114.38 1x4u s SER 39 Ca 0.46 1.43 -0.11 0.00 0.48 0.00 0.00 55.95 58.22 1x4u s SER 39 Cb -0.04 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.64 1x4u s SER 39 CO 0.28 0.11 0.30 -0.36 0.98 0.00 0.00 173.24 174.55 1x4u s PHE 40 N -0.50 0.20 0.55 5.02 0.08 -0.04 -2.60 117.98 120.68 1x4u s PHE 40 Ca 0.35 -0.57 -0.08 0.00 0.12 0.00 0.00 56.93 56.75 1x4u s PHE 40 Cb -0.21 0.03 0.12 0.00 -0.57 0.00 0.00 43.02 42.40 1x4u s PHE 40 CO 0.22 -0.70 0.75 0.00 -0.10 0.00 0.00 175.22 175.40 1x4u n SER 42 N -3.39 1.46 0.00 0.00 7.64 -1.26 -2.60 113.62 115.47 1x4u n SER 42 Ca 0.10 -2.08 0.00 0.00 1.01 0.00 0.00 58.87 57.90 1x4u n SER 42 Cb 0.34 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1x4u n SER 42 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1x4u n ARG 43 N 0.13 2.82 -0.04 1.43 1.74 -1.26 -4.61 116.66 116.86 1x4u n ARG 43 Ca 0.07 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.05 1x4u n ARG 43 Cb 0.27 -0.98 -0.14 0.00 -1.02 0.00 0.00 32.46 30.59 1x4u n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x4u n SER 46 N -1.00 3.86 -4.18 0.00 3.41 -1.25 -4.53 113.62 109.94 1x4u n SER 46 Ca 0.62 -3.74 -0.33 0.00 -0.26 0.00 0.00 58.87 55.16 1x4u n SER 46 Cb 1.01 -0.72 -0.16 0.00 -0.26 0.00 0.00 64.21 64.08 1x4u n SER 46 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1x4u s PHE 47 N -3.39 2.70 -0.15 7.33 0.40 -1.21 -5.02 117.98 118.64 1x4u s PHE 47 Ca 0.52 -1.33 -0.14 0.00 -0.60 0.00 0.00 56.93 55.39 1x4u s PHE 47 Cb 0.44 -1.84 -0.05 0.00 0.51 0.00 0.00 43.02 42.08 1x4u s PHE 47 CO 0.03 -0.61 0.29 0.15 0.70 0.00 0.00 175.22 175.78 1x4u s LYS 48 N 0.88 4.20 0.03 0.44 1.02 -1.26 -0.30 119.74 124.76 1x4u s LYS 48 Ca -0.05 0.10 0.01 0.00 0.02 0.00 0.00 55.97 56.05 1x4u s LYS 48 Cb -0.15 -3.40 -0.02 0.00 -0.52 0.00 0.00 37.83 33.73 1x4u s LYS 48 CO -0.03 0.29 -0.05 0.14 -0.92 0.00 0.00 175.35 174.77 1x4u s VAL 49 N 0.32 0.32 -0.05 3.17 -7.23 0.83 -4.92 120.40 112.86 1x4u s VAL 49 Ca 0.17 -1.02 -0.30 0.00 -1.81 0.00 0.00 61.98 59.02 1x4u s VAL 49 Cb -0.13 -0.46 -0.05 0.00 0.56 0.00 0.00 36.38 36.30 1x4u s VAL 49 CO 0.04 -0.46 1.49 -2.16 -0.31 0.00 0.00 175.10 173.70 1x4u s PRO 50 N -1.58 4.23 -0.08 4.82 0.04 -1.26 -1.00 135.00 140.17 1x4u s PRO 50 Ca -0.12 2.01 -0.25 0.00 0.04 0.00 0.00 61.00 62.68 1x4u s PRO 50 Cb -0.10 -3.77 -0.28 0.00 0.04 0.00 0.00 34.50 30.39 1x4u s PRO 50 CO -0.01 -0.71 0.86 1.57 0.04 0.00 0.00 177.00 178.76 1x4u h LYS 51 N 8.57 0.17 -0.76 4.56 2.10 -1.84 -3.05 116.57 126.33 1x4u h LYS 51 Ca -0.36 -0.28 0.10 0.00 -2.00 0.00 0.00 60.65 58.10 1x4u h LYS 51 Cb 1.16 0.10 -0.07 0.00 -0.90 0.00 0.00 32.23 32.52 1x4u h LYS 51 CO 0.94 1.12 0.41 0.66 -2.00 0.00 0.00 179.45 180.57 1x4u h SER 52 N -0.62 0.55 -0.98 7.07 4.64 -1.78 -1.39 113.55 121.04 1x4u h SER 52 Ca -0.07 0.06 -0.66 0.00 -0.47 0.00 0.00 61.79 60.64 1x4u h SER 52 Cb 1.33 -0.04 -0.30 0.00 -0.31 0.00 0.00 62.40 63.07 1x4u h SER 52 CO 0.08 0.31 0.74 -1.54 -0.87 0.00 0.00 176.83 175.56 1x4u n SER 53 N -4.82 7.32 -0.08 4.97 3.41 -1.25 -3.81 113.62 119.37 1x4u n SER 53 Ca 0.12 -3.78 -0.06 0.00 -0.26 0.00 0.00 58.87 54.89 1x4u n SER 53 Cb 0.28 -0.93 -0.02 0.00 -0.26 0.00 0.00 64.21 63.28 1x4u n SER 53 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1x4u n MET 54 N -0.92 0.47 0.00 4.33 0.00 -0.52 -4.90 117.12 115.59 1x4u n MET 54 Ca 0.61 0.45 0.00 0.00 0.00 0.00 0.00 57.70 58.77 1x4u n MET 54 Cb 0.73 -1.63 0.00 0.00 0.00 0.00 0.00 33.22 32.31 1x4u n MET 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1x4u n GLY 55 N 1.57 0.28 2.97 -5.12 0.00 -1.26 -5.05 105.19 98.59 1x4u n GLY 55 Ca -0.10 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 1x4u n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4u s ALA 56 N -1.00 3.42 -0.44 4.61 0.00 -1.26 -4.98 121.76 122.10 1x4u s ALA 56 Ca 0.00 -3.33 -0.28 0.00 0.00 0.00 0.00 51.96 48.35 1x4u s ALA 56 Cb 0.00 -2.26 -0.08 0.00 0.00 0.00 0.00 23.12 20.78 1x4u s ALA 56 CO 0.00 -2.05 2.37 0.25 0.00 0.00 0.00 175.76 176.33 1x4u n THR 57 N 3.06 0.06 -3.90 0.00 -2.24 -1.25 -4.91 114.28 105.11 1x4u n THR 57 Ca 0.07 -0.61 -0.34 0.00 -2.27 0.00 0.00 64.05 60.90 1x4u n THR 57 Cb 0.33 -2.49 -0.05 0.00 -2.10 0.00 0.00 70.33 66.03 1x4u n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x4u s ALA 58 N 10.53 3.95 -0.29 6.98 0.00 -1.26 -4.99 121.76 136.67 1x4u s ALA 58 Ca 1.03 -0.74 0.27 0.00 0.00 0.00 0.00 51.96 52.51 1x4u s ALA 58 Cb -0.35 -1.90 1.12 0.00 0.00 0.00 0.00 23.12 21.98 1x4u s ALA 58 CO 0.32 0.73 1.80 -1.00 0.00 0.00 0.00 175.76 177.61 1x4u h PRO 59 N 3.90 0.00 0.00 0.00 0.13 -2.00 -2.78 132.00 131.26 1x4u h PRO 59 Ca -0.49 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.39 1x4u h PRO 59 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 1x4u h PRO 59 CO 0.68 0.00 -1.40 1.05 -0.23 0.00 0.00 178.00 178.10 1x4u h GLU 60 N 0.00 0.00 -4.97 0.86 4.11 -1.99 -3.44 114.58 109.15 1x4u h GLU 60 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.76 1x4u h GLU 60 Cb 0.40 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 29.33 1x4u h GLU 60 CO 0.00 0.63 -0.77 0.00 0.07 0.00 0.00 179.01 178.94 1x4u s ALA 61 N -2.68 2.64 -0.02 1.06 0.00 -1.05 -5.10 121.76 116.62 1x4u s ALA 61 Ca -0.02 -1.33 -0.00 0.00 0.00 0.00 0.00 51.96 50.61 1x4u s ALA 61 Cb 0.09 -1.57 0.02 0.00 0.00 0.00 0.00 23.12 21.66 1x4u s ALA 61 CO 0.82 -0.60 0.03 -0.65 0.00 0.00 0.00 175.76 175.36 1x4u s GLN 62 N 1.36 -0.00 -1.71 0.00 -0.21 -1.26 -4.20 119.66 113.63 1x4u s GLN 62 Ca 0.03 0.12 -0.17 0.00 0.02 0.00 0.00 55.36 55.35 1x4u s GLN 62 Cb -0.15 -0.11 0.15 0.00 1.00 0.00 0.00 33.01 33.90 1x4u s GLN 62 CO -0.06 -0.08 0.66 -2.13 -2.12 0.00 0.00 175.29 171.56 1x4u n ARG 63 N 3.62 -2.48 -4.08 2.91 0.00 -1.26 -4.93 116.66 110.43 1x4u n ARG 63 Ca -0.20 0.30 -0.22 0.00 -0.00 0.00 0.00 57.85 57.74 1x4u n ARG 63 Cb 0.55 -4.86 -0.05 0.00 0.00 0.00 0.00 32.46 28.10 1x4u n ARG 63 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1x4u s GLU 64 N -7.00 2.80 0.17 -0.14 2.56 -1.26 -5.05 118.70 110.79 1x4u s GLU 64 Ca 0.65 -1.15 0.11 0.00 0.00 0.00 0.00 54.97 54.58 1x4u s GLU 64 Cb -0.36 -2.49 -0.04 0.00 2.00 0.00 0.00 34.13 33.23 1x4u s GLU 64 CO 0.95 0.34 -0.23 0.95 -0.56 0.00 0.00 175.26 176.71 1x4u s THR 65 N -2.19 2.43 0.06 -1.70 -4.23 -1.26 -2.74 115.64 106.01 1x4u s THR 65 Ca 0.34 -1.91 -0.12 0.00 -1.18 0.00 0.00 61.69 58.82 1x4u s THR 65 Cb -0.07 -2.15 0.01 0.00 1.34 0.00 0.00 72.50 71.63 1x4u s THR 65 CO 0.25 -0.06 0.26 0.68 -0.54 0.00 0.00 174.62 175.21 1x4u s VAL 66 N -1.51 0.10 -0.14 2.29 -7.23 -0.17 -4.84 120.40 108.91 1x4u s VAL 66 Ca 0.19 -0.82 -0.16 0.00 -1.81 0.00 0.00 61.98 59.38 1x4u s VAL 66 Cb -0.09 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 1x4u s VAL 66 CO 0.09 -0.45 0.39 -0.36 -0.31 0.00 0.00 175.10 174.47 1x4u s PHE 67 N -2.87 3.49 0.33 2.82 0.08 -1.26 -0.12 117.98 120.45 1x4u s PHE 67 Ca -0.03 0.76 0.03 0.00 0.12 0.00 0.00 56.93 57.81 1x4u s PHE 67 Cb 0.00 -2.46 -0.04 0.00 -0.57 0.00 0.00 43.02 39.95 1x4u s PHE 67 CO -0.05 0.20 0.11 0.14 -0.10 0.00 0.00 175.22 175.52 1x4u s VAL 68 N 0.53 0.67 0.14 -0.44 -7.23 0.59 -1.92 120.40 112.74 1x4u s VAL 68 Ca 0.22 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.26 1x4u s VAL 68 Cb -0.14 -2.57 -0.07 0.00 0.56 0.00 0.00 36.38 34.16 1x4u s VAL 68 CO 0.07 0.00 0.51 0.00 -0.31 0.00 0.00 175.10 175.38 1x4u n ALA 70 N 0.76 -0.06 -0.34 0.00 0.00 0.17 0.14 120.51 121.17 1x4u n ALA 70 Ca -0.05 0.95 0.24 0.00 0.00 0.00 0.00 53.44 54.58 1x4u n ALA 70 Cb 0.52 -0.45 0.48 0.00 0.00 0.00 0.00 19.45 20.00 1x4u n ALA 70 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1x4u h SER 71 N 0.00 0.50 0.00 0.00 0.02 -1.94 0.55 113.55 112.68 1x4u h SER 71 Ca 0.35 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 1x4u h SER 71 Cb 0.58 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1x4u h SER 71 CO -0.93 -0.12 -0.16 0.00 -1.14 0.00 0.00 176.83 174.48 1x4u n ASN 73 N -4.14 0.28 -0.13 0.00 5.15 0.44 0.23 115.26 117.09 1x4u n ASN 73 Ca -0.02 1.40 -0.11 0.00 -0.60 0.00 0.00 54.58 55.24 1x4u n ASN 73 Cb 0.09 -0.68 -0.02 0.00 -0.53 0.00 0.00 39.78 38.63 1x4u n ASN 73 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 1x4u h GLN 74 N 0.00 0.75 -0.19 1.20 1.08 -1.05 -1.25 115.11 115.65 1x4u h GLN 74 Ca 0.75 -0.31 -0.10 0.00 -1.45 0.00 0.00 58.65 57.55 1x4u h GLN 74 Cb 2.08 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 29.48 1x4u h GLN 74 CO -0.62 0.91 -0.26 1.15 -0.95 0.00 0.00 178.83 179.06 1x4u h THR 75 N 0.55 1.34 0.96 -0.54 2.02 0.27 -3.25 112.91 114.25 1x4u h THR 75 Ca 0.09 -1.47 -0.05 0.00 0.77 0.00 0.00 66.41 65.76 1x4u h THR 75 Cb 0.66 1.83 0.01 0.00 -1.74 0.00 0.00 68.15 68.91 1x4u h THR 75 CO 0.04 0.45 -0.46 -0.07 0.37 0.00 0.00 175.52 175.85 1x4u h LEU 76 N 0.18 -1.09 -0.77 2.58 3.38 -0.56 -2.93 115.31 116.11 1x4u h LEU 76 Ca 0.02 0.04 0.25 0.00 0.09 0.00 0.00 57.88 58.28 1x4u h LEU 76 Cb 0.84 0.28 -0.14 0.00 0.09 0.00 0.00 40.66 41.73 1x4u h LEU 76 CO 0.06 -0.75 0.17 -0.24 0.09 0.00 0.00 178.44 177.77 1x4u n SER 77 N -5.60 0.05 -4.30 -0.43 2.88 -0.47 -4.51 113.62 101.24 1x4u n SER 77 Ca -0.16 1.29 -0.41 0.00 -1.33 0.00 0.00 58.87 58.26 1x4u n SER 77 Cb 0.51 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 1x4u n SER 77 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1x4u n LYS 78 N -4.94 0.06 -4.62 -1.46 4.76 -1.11 -4.99 118.16 105.86 1x4u n LYS 78 Ca 0.22 0.02 -0.28 0.00 -2.87 0.00 0.00 58.31 55.40 1x4u n LYS 78 Cb 0.74 -1.06 -0.11 0.00 -1.84 0.00 0.00 35.03 32.76 1x4u n LYS 78 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1x4u s SER 79 N -1.01 3.82 0.00 4.39 0.01 -1.26 -5.07 113.70 114.58 1x4u s SER 79 Ca 0.59 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 56.47 1x4u s SER 79 Cb -0.58 -0.34 0.00 0.00 0.21 0.00 0.00 66.02 65.31 1x4u s SER 79 CO 0.63 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 174.42 1x4u n GLY 80 N -0.97 -2.54 0.00 3.44 0.00 -1.26 -4.93 105.19 98.94 1x4u n GLY 80 Ca -0.05 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1x4u n GLY 80 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4u n PRO 81 N -0.78 0.49 -1.10 1.61 -0.04 -1.26 -4.49 135.00 129.43 1x4u n PRO 81 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 1x4u n PRO 81 Cb 0.00 -1.02 -0.04 0.00 -0.04 0.00 0.00 33.50 32.40 1x4u n PRO 81 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x4u n SER 82 N -0.52 3.36 -3.74 3.54 3.41 -1.26 -4.78 113.62 113.63 1x4u n SER 82 Ca 0.00 -2.60 -0.13 0.00 -0.26 0.00 0.00 58.87 55.88 1x4u n SER 82 Cb 0.00 -1.17 -0.11 0.00 -0.26 0.00 0.00 64.21 62.68 1x4u n SER 82 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x4u s SER 83 N 4.38 -0.39 0.00 4.04 0.01 -1.26 -5.03 113.70 115.45 1x4u s SER 83 Ca 0.52 0.74 0.00 0.00 1.31 0.00 0.00 55.95 58.52 1x4u s SER 83 Cb 0.13 0.73 0.00 0.00 0.21 0.00 0.00 66.02 67.09 1x4u s SER 83 CO 0.06 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.18