#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4u s SER 2 N 0.00 5.60 -0.08 1.61 0.01 -1.26 -5.06 113.70 114.53 1x4u s SER 2 Ca 0.00 -1.23 -0.06 0.00 1.31 0.00 0.00 55.95 55.97 1x4u s SER 2 Cb 0.00 -1.97 0.03 0.00 0.21 0.00 0.00 66.02 64.28 1x4u s SER 2 CO 0.00 -0.43 0.21 -0.55 0.41 0.00 0.00 173.24 172.87 1x4u s SER 3 N 1.73 -0.21 0.00 2.44 0.15 -1.26 -5.16 113.70 111.39 1x4u s SER 3 Ca 0.01 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.09 1x4u s SER 3 Cb -0.21 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1x4u s SER 3 CO 0.04 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1x4u n GLY 4 N 3.28 3.24 2.29 9.45 0.00 -1.26 -5.04 105.19 117.16 1x4u n GLY 4 Ca -0.16 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 1x4u n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x4u n SER 5 N -0.56 7.40 -4.44 1.61 2.88 -1.26 -4.98 113.62 114.27 1x4u n SER 5 Ca 0.00 -3.62 -0.45 0.00 -1.33 0.00 0.00 58.87 53.46 1x4u n SER 5 Cb 0.00 -1.01 -0.14 0.00 -0.75 0.00 0.00 64.21 62.31 1x4u n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x4u n SER 6 N -0.56 0.42 0.00 -3.46 7.64 -1.26 -4.58 113.62 111.82 1x4u n SER 6 Ca 0.55 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.72 1x4u n SER 6 Cb 0.60 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1x4u n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4u n GLY 7 N 6.72 3.68 3.47 0.23 0.00 -1.26 -5.17 105.19 112.86 1x4u n GLY 7 Ca 0.63 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1x4u n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x4u s ARG 8 N -3.60 1.66 -0.07 1.61 1.70 -1.26 -5.15 118.95 113.85 1x4u s ARG 8 Ca 0.00 -1.79 0.02 0.00 -0.47 0.00 0.00 55.73 53.49 1x4u s ARG 8 Cb 0.00 -1.61 -0.03 0.00 -0.57 0.00 0.00 34.95 32.74 1x4u s ARG 8 CO 0.00 0.23 -0.12 1.52 -1.08 0.00 0.00 175.30 175.85 1x4u s TYR 9 N -2.64 2.78 0.70 5.89 -0.85 -1.26 -5.13 117.35 116.85 1x4u s TYR 9 Ca 0.30 -0.19 -0.12 0.00 -0.52 0.00 0.00 57.07 56.53 1x4u s TYR 9 Cb -0.02 -1.69 0.17 0.00 0.38 0.00 0.00 41.96 40.81 1x4u s TYR 9 CO 0.14 0.15 0.62 -0.35 -1.52 0.00 0.00 175.55 174.60 1x4u n PRO 10 N 2.52 -2.24 -2.50 -3.49 -0.04 -1.26 -4.93 135.00 123.06 1x4u n PRO 10 Ca -0.17 -1.00 -0.42 0.00 -0.04 0.00 0.00 63.50 61.87 1x4u n PRO 10 Cb 0.52 -0.94 -0.02 0.00 -0.04 0.00 0.00 33.50 33.02 1x4u n PRO 10 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1x4u s THR 11 N -2.13 3.92 0.10 0.52 -1.32 -1.26 -4.92 115.64 110.54 1x4u s THR 11 Ca 0.41 0.81 -0.19 0.00 -1.21 0.00 0.00 61.69 61.51 1x4u s THR 11 Cb -0.04 -4.61 -0.04 0.00 -1.51 0.00 0.00 72.50 66.30 1x4u s THR 11 CO 0.31 -1.27 1.32 -3.20 -2.21 0.00 0.00 174.62 169.57 1x4u n ASN 12 N 8.88 -0.63 -2.84 8.08 5.15 -1.26 -4.85 115.26 127.79 1x4u n ASN 12 Ca 0.10 1.47 -0.09 0.00 -0.60 0.00 0.00 54.58 55.45 1x4u n ASN 12 Cb 0.49 -0.34 0.03 0.00 -0.53 0.00 0.00 39.78 39.43 1x4u n ASN 12 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1x4u s ASN 13 N -4.49 0.09 0.61 1.20 2.20 -1.26 -5.18 114.94 108.11 1x4u s ASN 13 Ca -0.07 -1.22 0.03 0.00 -0.94 0.00 0.00 52.86 50.65 1x4u s ASN 13 Cb 0.07 0.86 0.08 0.00 -2.00 0.00 0.00 41.25 40.25 1x4u s ASN 13 CO 0.37 -1.71 0.85 -0.36 -2.94 0.00 0.00 177.10 173.31 1x4u s PHE 14 N -2.18 2.04 0.00 1.54 0.08 -1.26 -4.99 117.98 113.21 1x4u s PHE 14 Ca 0.17 -0.30 0.00 0.00 0.12 0.00 0.00 56.93 56.92 1x4u s PHE 14 Cb -0.05 -2.71 0.00 0.00 -0.57 0.00 0.00 43.02 39.69 1x4u s PHE 14 CO 0.12 -1.23 0.00 0.41 -0.10 0.00 0.00 175.22 174.42 1x4u n GLY 15 N -2.48 0.06 3.26 4.36 0.00 -1.26 -5.16 105.19 103.97 1x4u n GLY 15 Ca 0.12 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.87 0.71 0.60 1.61 0.02 -1.26 -4.23 114.94 111.52 1x4u s ASN 16 Ca 0.00 -1.40 -0.19 0.00 -1.02 0.00 0.00 52.86 50.24 1x4u s ASN 16 Cb 0.00 0.29 -0.04 0.00 0.02 0.00 0.00 41.25 41.52 1x4u s ASN 16 CO 0.00 -0.80 1.16 0.00 0.02 0.00 0.00 177.10 177.48 1x4u n THR 18 N -1.57 2.08 0.00 0.00 -1.04 -1.00 -2.56 114.28 110.19 1x4u n THR 18 Ca 0.13 -1.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.08 1x4u n THR 18 Cb 0.46 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 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 0.14 0.00 0.14 3.41 0.00 -1.26 -4.89 105.19 102.72 1x4u n GLY 19 Ca 0.25 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.29 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 0.01 -4.02 -4.34 0.00 7.64 -1.06 -4.94 113.62 106.91 1x4u n SER 21 Ca 0.02 -0.73 -0.45 0.00 1.01 0.00 0.00 58.87 58.72 1x4u n SER 21 Cb 0.10 -4.24 -0.06 0.00 -1.01 0.00 0.00 64.21 58.99 1x4u n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x4u s ALA 22 N -3.40 3.59 0.42 -0.43 0.00 -1.26 -4.68 121.76 115.99 1x4u s ALA 22 Ca 0.44 -2.34 -0.21 0.00 0.00 0.00 0.00 51.96 49.85 1x4u s ALA 22 Cb -0.21 -3.14 -0.15 0.00 0.00 0.00 0.00 23.12 19.61 1x4u s ALA 22 CO 0.80 -1.87 0.08 2.41 0.00 0.00 0.00 175.76 177.18 1x4u n THR 23 N 5.20 0.62 -3.31 0.00 -1.04 -1.26 -3.70 114.28 110.80 1x4u n THR 23 Ca -0.13 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.05 61.00 1x4u n THR 23 Cb 0.42 -0.02 -0.06 0.00 -1.82 0.00 0.00 70.33 68.84 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 -1.71 3.47 0.45 -1.42 0.08 -1.26 -4.92 117.98 112.67 1x4u s PHE 24 Ca 0.59 0.83 0.05 0.00 0.12 0.00 0.00 56.93 58.53 1x4u s PHE 24 Cb -0.62 -2.58 0.05 0.00 -0.57 0.00 0.00 43.02 39.31 1x4u s PHE 24 CO 0.63 0.09 0.45 -1.13 -0.10 0.00 0.00 175.22 175.16 1x4u n SER 25 N 4.01 2.14 -0.28 1.36 3.41 -1.20 -4.97 113.62 118.10 1x4u n SER 25 Ca -0.07 -2.42 0.07 0.00 -0.26 0.00 0.00 58.87 56.19 1x4u n SER 25 Cb 0.51 -0.15 0.21 0.00 -0.26 0.00 0.00 64.21 64.53 1x4u n SER 25 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1x4u h VAL 26 N 0.42 0.69 0.25 -3.33 -1.51 -2.03 -2.94 116.25 107.80 1x4u h VAL 26 Ca -0.26 -0.19 -0.01 0.00 -1.23 0.00 0.00 66.70 65.01 1x4u h VAL 26 Cb 1.02 0.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.28 1x4u h VAL 26 CO 0.39 0.10 -0.12 -0.07 -1.23 0.00 0.00 177.57 176.64 1x4u h LEU 27 N 0.55 -0.29 -8.27 4.19 3.38 -2.02 -3.40 115.31 109.45 1x4u h LEU 27 Ca 0.45 -0.05 -0.16 0.00 0.09 0.00 0.00 57.88 58.21 1x4u h LEU 27 Cb 0.66 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1x4u h LEU 27 CO -0.38 0.19 0.40 -0.75 0.09 0.00 0.00 178.44 177.99 1x4u s LYS 28 N -2.79 2.10 -0.10 1.13 2.20 -1.11 -4.91 119.74 116.27 1x4u s LYS 28 Ca -0.06 0.05 -0.30 0.00 -0.36 0.00 0.00 55.97 55.30 1x4u s LYS 28 Cb 0.00 -4.94 -0.04 0.00 -1.51 0.00 0.00 37.83 31.35 1x4u s LYS 28 CO 0.20 -3.91 1.42 -1.59 -0.36 0.00 0.00 175.35 171.12 1x4u s LYS 29 N 7.87 4.23 -0.44 4.03 -2.85 -1.26 -3.22 119.74 128.10 1x4u s LYS 29 Ca 0.80 1.89 -0.35 0.00 -1.00 0.00 0.00 55.97 57.31 1x4u s LYS 29 Cb -0.09 -3.80 -0.13 0.00 -2.06 0.00 0.00 37.83 31.74 1x4u s LYS 29 CO 0.04 -0.73 2.25 -2.13 0.10 0.00 0.00 175.35 174.88 1x4u n ARG 30 N 6.54 0.82 -3.35 1.78 0.63 -1.26 -4.67 116.66 117.16 1x4u n ARG 30 Ca 0.15 0.20 -0.34 0.00 -0.92 0.00 0.00 57.85 56.94 1x4u n ARG 30 Cb 0.44 -2.32 -0.06 0.00 0.45 0.00 0.00 32.46 30.98 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 6.61 3.92 -0.19 -0.14 0.52 -0.14 -4.90 118.95 124.64 1x4u s ARG 31 Ca 1.13 0.44 -0.02 0.00 -0.52 0.00 0.00 55.73 56.75 1x4u s ARG 31 Cb -0.93 -2.78 -0.01 0.00 0.52 0.00 0.00 34.95 31.75 1x4u s ARG 31 CO 0.49 0.39 -0.09 -1.12 0.02 0.00 0.00 175.30 174.99 1x4u s SER 32 N -2.00 4.09 1.02 0.23 0.01 -1.26 -0.12 113.70 115.67 1x4u s SER 32 Ca 0.43 -0.39 -0.15 0.00 1.31 0.00 0.00 55.95 57.14 1x4u s SER 32 Cb -0.13 -1.67 0.07 0.00 0.21 0.00 0.00 66.02 64.50 1x4u s SER 32 CO 0.20 0.05 0.24 0.00 0.41 0.00 0.00 173.24 174.14 1x4u n SER 34 N -1.49 0.33 0.00 0.00 2.88 -0.82 -3.75 113.62 110.77 1x4u n SER 34 Ca 0.04 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1x4u n SER 34 Cb 0.57 0.73 0.00 0.00 -0.75 0.00 0.00 64.21 64.77 1x4u n SER 34 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1x4u n ASN 35 N -2.84 0.00 0.15 -3.46 5.15 -1.26 -4.52 115.26 108.47 1x4u n ASN 35 Ca -0.34 0.15 0.02 0.00 -0.60 0.00 0.00 54.58 53.81 1x4u n ASN 35 Cb 1.13 -0.24 0.37 0.00 -0.53 0.00 0.00 39.78 40.50 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 -0.66 0.35 3.93 0.00 0.00 -1.25 -5.00 105.19 102.56 1x4u n GLY 37 Ca -0.01 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.04 5.00 0.20 1.61 0.01 -1.26 -4.67 114.94 112.79 1x4u s ASN 38 Ca 0.18 -0.87 -0.26 0.00 -0.71 0.00 0.00 52.86 51.19 1x4u s ASN 38 Cb -0.08 -0.14 -0.08 0.00 0.41 0.00 0.00 41.25 41.36 1x4u s ASN 38 CO 0.22 -0.92 0.83 -0.94 -1.51 0.00 0.00 177.10 174.78 1x4u s SER 39 N -4.30 7.44 0.16 -1.22 1.04 -1.26 -0.43 113.70 115.13 1x4u s SER 39 Ca 0.48 1.73 -0.18 0.00 0.48 0.00 0.00 55.95 58.46 1x4u s SER 39 Cb -0.04 -2.53 0.04 0.00 0.10 0.00 0.00 66.02 63.59 1x4u s SER 39 CO 0.29 0.17 0.48 -0.36 0.98 0.00 0.00 173.24 174.79 1x4u s PHE 40 N -1.21 -0.23 0.95 5.02 0.08 0.83 -2.36 117.98 121.05 1x4u s PHE 40 Ca 0.39 -0.08 -0.14 0.00 0.12 0.00 0.00 56.93 57.22 1x4u s PHE 40 Cb -0.23 0.36 0.21 0.00 -0.57 0.00 0.00 43.02 42.79 1x4u s PHE 40 CO 0.27 -0.81 1.30 0.00 -0.10 0.00 0.00 175.22 175.89 1x4u n SER 42 N -3.71 0.42 -0.00 0.00 3.41 -1.26 -2.26 113.62 110.22 1x4u n SER 42 Ca 0.17 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.77 1x4u n SER 42 Cb 0.59 -0.10 -0.01 0.00 -0.26 0.00 0.00 64.21 64.44 1x4u n SER 42 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1x4u n ARG 43 N -0.29 1.53 -0.07 4.33 5.12 -1.26 -4.64 116.66 121.38 1x4u n ARG 43 Ca 0.02 -0.01 -0.14 0.00 -1.93 0.00 0.00 57.85 55.80 1x4u n ARG 43 Cb 0.08 -1.03 -0.14 0.00 -1.16 0.00 0.00 32.46 30.21 1x4u n ARG 43 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x4u n SER 46 N -0.33 4.93 -4.17 0.00 2.88 -1.24 -4.51 113.62 111.18 1x4u n SER 46 Ca 0.42 -3.78 -0.34 0.00 -1.33 0.00 0.00 58.87 53.84 1x4u n SER 46 Cb 0.87 -0.58 -0.14 0.00 -0.75 0.00 0.00 64.21 63.61 1x4u n SER 46 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1x4u s PHE 47 N -3.56 3.16 -0.23 0.66 0.08 -1.21 -5.00 117.98 111.88 1x4u s PHE 47 Ca 0.53 -1.80 -0.27 0.00 0.12 0.00 0.00 56.93 55.51 1x4u s PHE 47 Cb 0.43 -2.05 0.00 0.00 -0.57 0.00 0.00 43.02 40.83 1x4u s PHE 47 CO 0.01 -0.78 0.96 0.15 -0.10 0.00 0.00 175.22 175.46 1x4u s LYS 48 N 1.26 4.24 0.02 0.44 1.02 -1.26 -1.16 119.74 124.31 1x4u s LYS 48 Ca -0.03 1.22 0.02 0.00 0.02 0.00 0.00 55.97 57.20 1x4u s LYS 48 Cb -0.18 -3.64 -0.01 0.00 -0.52 0.00 0.00 37.83 33.48 1x4u s LYS 48 CO -0.03 -0.57 -0.08 0.14 -0.92 0.00 0.00 175.35 173.88 1x4u s VAL 49 N 3.00 0.60 0.05 3.17 -7.23 0.56 -4.91 120.40 115.64 1x4u s VAL 49 Ca 0.41 -0.64 -0.31 0.00 -1.81 0.00 0.00 61.98 59.63 1x4u s VAL 49 Cb -0.15 -0.57 -0.07 0.00 0.56 0.00 0.00 36.38 36.16 1x4u s VAL 49 CO 0.07 -0.05 1.40 -2.16 -0.31 0.00 0.00 175.10 174.05 1x4u s PRO 50 N -0.77 4.30 0.09 4.82 0.04 -1.26 -0.54 135.00 141.68 1x4u s PRO 50 Ca -0.02 2.02 -0.02 0.00 0.04 0.00 0.00 61.00 63.02 1x4u s PRO 50 Cb -0.06 -3.44 -0.25 0.00 0.04 0.00 0.00 34.50 30.78 1x4u s PRO 50 CO 0.00 -0.52 1.18 1.57 0.04 0.00 0.00 177.00 179.27 1x4u h LYS 51 N 7.44 0.24 -0.44 4.56 2.10 -1.84 -3.25 116.57 125.37 1x4u h LYS 51 Ca -0.40 -0.39 0.13 0.00 -2.00 0.00 0.00 60.65 57.99 1x4u h LYS 51 Cb 1.19 0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 32.65 1x4u h LYS 51 CO 0.89 1.18 0.70 1.03 -2.00 0.00 0.00 179.45 181.24 1x4u h SER 52 N 0.07 0.00 -2.11 7.07 0.87 -1.77 -0.47 113.55 117.21 1x4u h SER 52 Ca -0.11 0.00 -0.70 0.00 -1.23 0.00 0.00 61.79 59.75 1x4u h SER 52 Cb 1.91 0.00 -0.34 0.00 -0.44 0.00 0.00 62.40 63.53 1x4u h SER 52 CO 0.19 0.00 0.27 -1.54 -0.53 0.00 0.00 176.83 175.22 1x4u n SER 53 N -3.25 6.14 -3.58 6.23 3.41 -1.23 -4.42 113.62 116.93 1x4u n SER 53 Ca 0.09 -3.72 -0.27 0.00 -0.26 0.00 0.00 58.87 54.71 1x4u n SER 53 Cb 0.87 -0.86 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1x4u n SER 53 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1x4u n MET 54 N -0.27 1.42 0.00 4.33 2.00 -0.19 -5.01 117.12 119.41 1x4u n MET 54 Ca 0.42 -4.03 0.00 0.00 0.00 0.00 0.00 57.70 54.09 1x4u n MET 54 Cb 0.35 -1.98 0.00 0.00 0.00 0.00 0.00 33.22 31.59 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 1.87 1.14 3.32 3.03 0.00 -1.26 -4.48 105.19 108.80 1x4u n GLY 55 Ca 0.25 0.33 -0.43 0.00 0.00 0.00 0.00 46.02 46.17 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 3.49 0.47 4.61 0.00 -1.26 -5.07 121.76 123.00 1x4u s ALA 56 Ca 0.00 -2.26 -0.22 0.00 0.00 0.00 0.00 51.96 49.48 1x4u s ALA 56 Cb 0.00 -2.98 -0.08 0.00 0.00 0.00 0.00 23.12 20.06 1x4u s ALA 56 CO 0.00 -1.79 1.10 -0.08 0.00 0.00 0.00 175.76 175.00 1x4u s THR 57 N 1.55 3.40 0.15 0.00 -1.32 -1.26 -5.06 115.64 113.10 1x4u s THR 57 Ca 0.04 0.99 0.10 0.00 -1.21 0.00 0.00 61.69 61.60 1x4u s THR 57 Cb -0.25 -3.46 -0.04 0.00 -1.51 0.00 0.00 72.50 67.23 1x4u s THR 57 CO 0.04 -0.08 -0.20 0.00 -2.21 0.00 0.00 174.62 172.16 1x4u s ALA 58 N -1.70 2.61 -2.00 11.08 0.00 -1.26 -5.01 121.76 125.48 1x4u s ALA 58 Ca 0.65 -1.47 0.14 0.00 0.00 0.00 0.00 51.96 51.28 1x4u s ALA 58 Cb -0.24 -0.52 0.83 0.00 0.00 0.00 0.00 23.12 23.20 1x4u s ALA 58 CO 0.28 0.52 1.25 -0.35 0.00 0.00 0.00 175.76 177.47 1x4u n PRO 59 N 0.60 0.49 -0.03 0.00 -0.04 -1.26 -2.12 135.00 132.63 1x4u n PRO 59 Ca -0.15 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.33 1x4u n PRO 59 Cb 0.54 -1.45 -0.12 0.00 -0.04 0.00 0.00 33.50 32.44 1x4u n PRO 59 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1x4u n GLU 60 N -0.95 0.91 -3.88 0.54 0.28 -1.26 -4.82 120.64 111.47 1x4u n GLU 60 Ca 0.10 -0.09 -0.33 0.00 -0.16 0.00 0.00 57.16 56.69 1x4u n GLU 60 Cb 0.05 -1.36 -0.13 0.00 1.43 0.00 0.00 31.44 31.43 1x4u n GLU 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x4u s ALA 61 N -2.79 3.29 0.11 -1.84 0.00 -0.90 -5.08 121.76 114.54 1x4u s ALA 61 Ca -0.06 -3.04 0.06 0.00 0.00 0.00 0.00 51.96 48.92 1x4u s ALA 61 Cb 0.08 -2.29 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 1x4u s ALA 61 CO 0.61 -1.95 -0.14 -0.65 0.00 0.00 0.00 175.76 173.63 1x4u s GLN 62 N 0.18 0.98 -1.55 0.00 -0.21 -1.26 -4.22 119.66 113.58 1x4u s GLN 62 Ca 0.15 -1.17 -0.20 0.00 0.02 0.00 0.00 55.36 54.16 1x4u s GLN 62 Cb -0.23 -0.91 0.20 0.00 1.00 0.00 0.00 33.01 33.07 1x4u s GLN 62 CO -0.03 0.18 0.49 0.54 -2.12 0.00 0.00 175.29 174.35 1x4u n ARG 63 N 0.73 -0.84 -4.12 2.91 1.74 -1.26 -4.88 116.66 110.94 1x4u n ARG 63 Ca -0.17 0.11 -0.26 0.00 -0.77 0.00 0.00 57.85 56.76 1x4u n ARG 63 Cb 0.56 -4.03 -0.06 0.00 -1.02 0.00 0.00 32.46 27.91 1x4u n ARG 63 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1x4u s GLU 64 N -6.26 2.74 -0.03 5.56 2.56 -1.26 -5.07 118.70 116.94 1x4u s GLU 64 Ca 0.69 -0.94 0.06 0.00 0.00 0.00 0.00 54.97 54.78 1x4u s GLU 64 Cb -0.40 -2.55 -0.01 0.00 2.00 0.00 0.00 34.13 33.16 1x4u s GLU 64 CO 0.84 0.48 -0.22 0.95 -0.56 0.00 0.00 175.26 176.75 1x4u s THR 65 N -1.73 1.80 0.29 -1.70 -4.23 -1.26 -2.50 115.64 106.31 1x4u s THR 65 Ca 0.30 -0.95 0.03 0.00 -1.18 0.00 0.00 61.69 59.88 1x4u s THR 65 Cb -0.10 -1.51 -0.06 0.00 1.34 0.00 0.00 72.50 72.17 1x4u s THR 65 CO 0.22 0.51 0.05 0.68 -0.54 0.00 0.00 174.62 175.54 1x4u s VAL 66 N -0.35 1.02 -0.24 2.29 -7.23 0.30 -4.92 120.40 111.27 1x4u s VAL 66 Ca 0.04 -2.01 -0.07 0.00 -1.81 0.00 0.00 61.98 58.13 1x4u s VAL 66 Cb -0.10 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 1x4u s VAL 66 CO 0.01 -0.07 0.06 -0.36 -0.31 0.00 0.00 175.10 174.43 1x4u s PHE 67 N -3.42 3.09 0.52 2.82 0.08 -1.26 -0.32 117.98 119.48 1x4u s PHE 67 Ca 0.35 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 57.01 1x4u s PHE 67 Cb 0.08 -2.21 -0.00 0.00 -0.57 0.00 0.00 43.02 40.31 1x4u s PHE 67 CO 0.14 -0.32 0.01 0.14 -0.10 0.00 0.00 175.22 175.10 1x4u s VAL 68 N 1.48 0.98 0.11 -0.44 -7.23 -0.31 -1.94 120.40 113.06 1x4u s VAL 68 Ca 0.06 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.18 1x4u s VAL 68 Cb -0.15 -2.06 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 1x4u s VAL 68 CO 0.03 0.00 0.34 0.00 -0.31 0.00 0.00 175.10 175.17 1x4u n ALA 70 N 0.32 0.15 -0.21 0.00 0.00 -0.59 0.51 120.51 120.69 1x4u n ALA 70 Ca -0.04 0.98 -0.01 0.00 0.00 0.00 0.00 53.44 54.36 1x4u n ALA 70 Cb 0.52 -0.56 0.05 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.70 0.22 0.00 0.02 -1.94 -0.66 113.55 110.49 1x4u h SER 71 Ca 0.41 0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.55 1x4u h SER 71 Cb 0.64 0.43 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1x4u h SER 71 CO -0.92 -0.23 -0.11 0.00 -1.14 0.00 0.00 176.83 174.43 1x4u n ASN 73 N -4.97 0.24 -0.08 0.00 5.15 0.12 0.23 115.26 115.94 1x4u n ASN 73 Ca -0.05 1.29 -0.13 0.00 -0.60 0.00 0.00 54.58 55.10 1x4u n ASN 73 Cb 0.16 -0.62 -0.05 0.00 -0.53 0.00 0.00 39.78 38.74 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 0.52 -0.34 1.20 1.08 -1.19 -1.64 115.11 114.74 1x4u h GLN 74 Ca 0.64 -0.24 -0.05 0.00 -1.45 0.00 0.00 58.65 57.55 1x4u h GLN 74 Cb 1.68 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 29.09 1x4u h GLN 74 CO -0.61 0.81 0.01 1.15 -0.95 0.00 0.00 178.83 179.23 1x4u h THR 75 N 0.23 1.26 0.58 -0.54 2.02 0.29 -3.01 112.91 113.73 1x4u h THR 75 Ca 0.05 -0.95 -0.03 0.00 0.77 0.00 0.00 66.41 66.25 1x4u h THR 75 Cb 0.67 1.21 0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1x4u h THR 75 CO 0.04 0.31 -0.28 -0.07 0.37 0.00 0.00 175.52 175.90 1x4u h LEU 76 N 0.40 -0.65 -0.75 2.58 3.38 -0.57 -3.19 115.31 116.51 1x4u h LEU 76 Ca 0.10 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.14 1x4u h LEU 76 Cb 0.44 0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.26 1x4u h LEU 76 CO 0.02 -0.44 -0.55 -1.28 0.09 0.00 0.00 178.44 176.28 1x4u h SER 77 N -0.81 -1.95 -3.61 -0.43 0.87 -1.33 -3.39 113.55 102.90 1x4u h SER 77 Ca -0.08 0.28 -0.53 0.00 -1.23 0.00 0.00 61.79 60.24 1x4u h SER 77 Cb 0.61 0.84 0.07 0.00 -0.44 0.00 0.00 62.40 63.48 1x4u h SER 77 CO 0.13 -0.28 0.74 -1.59 -0.53 0.00 0.00 176.83 175.30 1x4u s LYS 78 N -5.41 4.25 -0.07 2.24 -2.85 -1.14 -4.98 119.74 111.79 1x4u s LYS 78 Ca -0.12 2.35 -0.23 0.00 -1.00 0.00 0.00 55.97 56.97 1x4u s LYS 78 Cb 0.10 -3.07 -0.04 0.00 -2.06 0.00 0.00 37.83 32.76 1x4u s LYS 78 CO 0.58 -0.39 0.69 0.45 0.10 0.00 0.00 175.35 176.78 1x4u s SER 79 N 0.05 6.98 0.00 0.03 0.15 -1.26 -4.90 113.70 114.74 1x4u s SER 79 Ca 0.56 1.17 0.00 0.00 0.70 0.00 0.00 55.95 58.38 1x4u s SER 79 Cb -0.43 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.48 1x4u s SER 79 CO 0.50 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.45 1x4u n GLY 80 N 3.08 2.69 3.71 9.45 0.00 -1.26 -5.17 105.19 117.70 1x4u n GLY 80 Ca -0.02 0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1x4u n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4u s PRO 81 N -0.13 1.15 -0.06 1.61 0.04 -1.26 -4.99 135.00 131.36 1x4u s PRO 81 Ca 0.00 0.79 -0.30 0.00 0.04 0.00 0.00 61.00 61.53 1x4u s PRO 81 Cb 0.00 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.72 1x4u s PRO 81 CO 0.00 -2.31 1.03 -1.54 0.04 0.00 0.00 177.00 174.22 1x4u s SER 82 N -3.42 7.25 -0.14 6.66 1.04 -1.26 -4.96 113.70 118.88 1x4u s SER 82 Ca 0.64 1.62 -0.20 0.00 0.48 0.00 0.00 55.95 58.49 1x4u s SER 82 Cb -0.18 -2.56 -0.18 0.00 0.10 0.00 0.00 66.02 63.20 1x4u s SER 82 CO 0.57 -0.41 0.48 0.28 0.98 0.00 0.00 173.24 175.14 1x4u h SER 83 N 7.03 0.00 0.00 7.02 0.02 -2.07 -3.57 113.55 121.98 1x4u h SER 83 Ca -0.35 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 59.95 1x4u h SER 83 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1x4u h SER 83 CO 0.82 0.92 0.00 0.61 -1.14 0.00 0.00 176.83 178.04