#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr5 s SER 2 N 0.00 -0.31 0.77 1.61 1.04 -1.26 -5.15 113.70 110.40 2cr5 s SER 2 Ca 0.00 0.57 -0.17 0.00 0.48 0.00 0.00 55.95 56.83 2cr5 s SER 2 Cb 0.00 1.47 -0.10 0.00 0.10 0.00 0.00 66.02 67.49 2cr5 s SER 2 CO 0.00 -0.28 -0.10 -0.24 0.98 0.00 0.00 173.24 173.61 2cr5 n SER 3 N 5.39 -3.54 -4.55 7.02 2.88 -1.26 -4.78 113.62 114.78 2cr5 n SER 3 Ca -0.04 0.45 -0.42 0.00 -1.33 0.00 0.00 58.87 57.53 2cr5 n SER 3 Cb 0.50 -0.97 -0.02 0.00 -0.75 0.00 0.00 64.21 62.98 2cr5 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cr5 s GLY 4 N -1.24 1.54 0.01 0.46 0.00 -1.26 -4.87 107.32 101.96 2cr5 s GLY 4 Ca 0.54 -2.65 -0.29 0.00 0.00 0.00 0.00 44.72 42.32 2cr5 s GLY 4 CO 0.69 2.61 1.16 -1.35 0.00 0.00 0.00 173.10 176.21 2cr5 s SER 5 N 4.43 -0.12 0.21 1.64 1.04 -1.26 -5.19 113.70 114.44 2cr5 s SER 5 Ca 0.48 -0.18 -0.13 0.00 0.48 0.00 0.00 55.95 56.60 2cr5 s SER 5 Cb 0.01 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.40 2cr5 s SER 5 CO -0.02 -0.48 0.43 -0.94 0.98 0.00 0.00 173.24 173.21 2cr5 s SER 6 N -2.82 -0.09 -0.43 7.02 1.04 -1.26 -5.03 113.70 112.13 2cr5 s SER 6 Ca 0.12 -0.82 -0.23 0.00 0.48 0.00 0.00 55.95 55.50 2cr5 s SER 6 Cb 0.02 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.71 2cr5 s SER 6 CO -0.03 -1.05 0.59 0.61 0.98 0.00 0.00 173.24 174.35 2cr5 n GLY 7 N -0.33 -0.91 3.57 7.32 0.00 -1.26 -5.01 105.19 108.57 2cr5 n GLY 7 Ca -0.05 1.19 -0.30 0.00 0.00 0.00 0.00 46.02 46.87 2cr5 n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2cr5 s GLU 8 N -2.50 2.09 0.22 1.61 2.12 -1.26 -5.08 118.70 115.90 2cr5 s GLU 8 Ca 0.28 -1.05 -0.29 0.00 0.36 0.00 0.00 54.97 54.27 2cr5 s GLU 8 Cb -0.06 -2.28 -0.16 0.00 0.26 0.00 0.00 34.13 31.90 2cr5 s GLU 8 CO 0.79 0.50 0.82 0.28 -0.54 0.00 0.00 175.26 177.12 2cr5 n VAL 9 N 0.67 1.77 -0.62 3.70 0.31 -1.26 -4.96 118.33 117.94 2cr5 n VAL 9 Ca -0.14 -0.44 -0.07 0.00 -0.01 0.00 0.00 64.34 63.68 2cr5 n VAL 9 Cb 0.52 -0.50 0.06 0.00 -0.91 0.00 0.00 33.84 33.01 2cr5 n VAL 9 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2cr5 n PRO 10 N 1.01 -1.53 -3.93 5.55 -0.04 -1.26 -5.09 135.00 129.70 2cr5 n PRO 10 Ca 0.14 -0.41 -0.11 0.00 -0.04 0.00 0.00 63.50 63.08 2cr5 n PRO 10 Cb 0.27 -0.39 -0.12 0.00 -0.04 0.00 0.00 33.50 33.22 2cr5 n PRO 10 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2cr5 s ASP 11 N -2.21 0.14 0.12 3.54 1.01 -1.26 -5.14 116.67 112.88 2cr5 s ASP 11 Ca 0.17 -0.27 0.02 0.00 0.71 0.00 0.00 52.55 53.19 2cr5 s ASP 11 Cb -0.02 0.05 -0.04 0.00 1.01 0.00 0.00 42.92 43.93 2cr5 s ASP 11 CO 0.13 -0.16 0.21 -0.76 0.21 0.00 0.00 175.17 174.80 2cr5 s LEU 12 N -0.77 4.17 0.00 1.23 1.43 -1.26 -5.05 118.68 118.43 2cr5 s LEU 12 Ca -0.08 0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.02 2cr5 s LEU 12 Cb -0.05 -2.77 0.16 0.00 0.03 0.00 0.00 46.19 43.56 2cr5 s LEU 12 CO -0.01 0.10 0.58 -0.81 0.23 0.00 0.00 176.35 176.45 2cr5 n PRO 13 N -0.15 -2.15 -2.76 1.29 -0.04 -1.26 -4.98 135.00 124.94 2cr5 n PRO 13 Ca -0.07 -0.94 -0.42 0.00 -0.04 0.00 0.00 63.50 62.04 2cr5 n PRO 13 Cb 0.53 -0.87 -0.03 0.00 -0.04 0.00 0.00 33.50 33.08 2cr5 n PRO 13 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2cr5 s GLU 14 N -4.33 4.52 0.09 0.54 -1.05 -1.26 -5.00 118.70 112.21 2cr5 s GLU 14 Ca 0.38 1.32 -0.31 0.00 -0.15 0.00 0.00 54.97 56.21 2cr5 s GLU 14 Cb -0.04 -3.47 -0.08 0.00 -0.44 0.00 0.00 34.13 30.10 2cr5 s GLU 14 CO 0.29 -0.07 1.47 -2.00 0.95 0.00 0.00 175.26 175.90 2cr5 s GLU 15 N 1.12 4.27 0.36 -4.83 -6.30 -1.26 -4.98 118.70 107.09 2cr5 s GLU 15 Ca 0.49 2.15 -0.27 0.00 -2.50 0.00 0.00 54.97 54.84 2cr5 s GLU 15 Cb -0.20 -3.35 -0.09 0.00 0.00 0.00 0.00 34.13 30.49 2cr5 s GLU 15 CO 0.25 -0.54 1.21 -1.25 0.02 0.00 0.00 175.26 174.94 2cr5 s PRO 16 N 1.60 4.21 0.63 4.30 0.04 -1.26 -5.00 135.00 139.52 2cr5 s PRO 16 Ca 0.67 1.96 -0.17 0.00 0.04 0.00 0.00 61.00 63.50 2cr5 s PRO 16 Cb -0.38 -2.87 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 2cr5 s PRO 16 CO 0.30 -0.22 1.15 -1.12 0.04 0.00 0.00 177.00 177.15 2cr5 s SER 17 N -0.89 5.13 0.34 6.66 0.01 -1.26 -4.85 113.70 118.84 2cr5 s SER 17 Ca 0.53 2.16 0.26 0.00 1.31 0.00 0.00 55.95 60.22 2cr5 s SER 17 Cb -0.34 -2.57 1.13 0.00 0.21 0.00 0.00 66.02 64.44 2cr5 s SER 17 CO 0.44 -1.62 1.79 1.05 0.41 0.00 0.00 173.24 175.30 2cr5 h GLU 18 N 0.42 0.00 0.00 12.44 9.09 -2.01 -2.40 114.58 132.12 2cr5 h GLU 18 Ca -0.48 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 58.91 2cr5 h GLU 18 Cb 1.27 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.36 2cr5 h GLU 18 CO 0.54 0.00 -1.67 0.25 0.05 0.00 0.00 179.01 178.19 2cr5 n THR 19 N -2.45 0.30 -1.96 -1.06 -2.24 -1.26 -4.92 114.28 100.69 2cr5 n THR 19 Ca 0.01 -0.54 -0.42 0.00 -2.27 0.00 0.00 64.05 60.83 2cr5 n THR 19 Cb 0.22 -0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.27 2cr5 n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cr5 s ALA 20 N -3.41 3.67 1.24 6.98 0.00 -0.90 -4.99 121.76 124.35 2cr5 s ALA 20 Ca -0.05 1.17 -0.19 0.00 0.00 0.00 0.00 51.96 52.89 2cr5 s ALA 20 Cb 0.12 -3.68 0.30 0.00 0.00 0.00 0.00 23.12 19.86 2cr5 s ALA 20 CO 0.86 -1.07 1.05 -1.83 0.00 0.00 0.00 175.76 174.78 2cr5 s GLU 21 N 2.57 -1.52 -1.45 0.00 -1.05 -1.26 -3.90 118.70 112.09 2cr5 s GLU 21 Ca 0.72 0.11 -0.10 0.00 -0.15 0.00 0.00 54.97 55.56 2cr5 s GLU 21 Cb -0.39 -1.55 0.06 0.00 -0.44 0.00 0.00 34.13 31.81 2cr5 s GLU 21 CO 0.31 -3.94 0.76 0.39 0.95 0.00 0.00 175.26 173.73 2cr5 n GLU 22 N -4.96 -4.91 -4.49 -4.83 1.02 -1.26 -4.93 120.64 96.28 2cr5 n GLU 22 Ca 0.11 0.66 -0.24 0.00 -0.02 0.00 0.00 57.16 57.67 2cr5 n GLU 22 Cb 0.59 -5.50 -0.17 0.00 -0.02 0.00 0.00 31.44 26.34 2cr5 n GLU 22 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2cr5 s VAL 23 N -3.16 1.00 0.41 2.62 1.01 -1.25 -0.60 120.40 120.43 2cr5 s VAL 23 Ca 0.49 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 62.14 2cr5 s VAL 23 Cb -0.24 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 2cr5 s VAL 23 CO 0.60 0.33 0.26 0.68 0.00 0.00 0.00 175.10 176.97 2cr5 s VAL 24 N 0.71 2.47 -0.36 2.92 -7.23 -0.64 -4.91 120.40 113.35 2cr5 s VAL 24 Ca -0.14 -1.55 -0.05 0.00 -1.81 0.00 0.00 61.98 58.43 2cr5 s VAL 24 Cb -0.15 -3.00 0.07 0.00 0.56 0.00 0.00 36.38 33.85 2cr5 s VAL 24 CO 0.03 -0.00 0.14 -0.89 -0.31 0.00 0.00 175.10 174.06 2cr5 s THR 25 N -2.54 3.62 -0.36 5.32 2.01 -1.26 -1.04 115.64 121.38 2cr5 s THR 25 Ca 0.44 -1.44 -0.09 0.00 0.31 0.00 0.00 61.69 60.91 2cr5 s THR 25 Cb 0.01 -3.18 0.04 0.00 0.01 0.00 0.00 72.50 69.37 2cr5 s THR 25 CO 0.25 -0.35 0.17 -0.69 -0.69 0.00 0.00 174.62 173.31 2cr5 s VAL 26 N 1.32 4.26 -0.22 3.82 1.01 -0.08 -2.35 120.40 128.17 2cr5 s VAL 26 Ca 0.01 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 60.91 2cr5 s VAL 26 Cb -0.21 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2cr5 s VAL 26 CO 0.00 -0.23 0.08 0.00 0.00 0.00 0.00 175.10 174.95 2cr5 s ALA 27 N 1.49 3.33 -0.18 5.51 0.00 -1.23 -2.53 121.76 128.16 2cr5 s ALA 27 Ca 0.01 -0.93 -0.18 0.00 0.00 0.00 0.00 51.96 50.86 2cr5 s ALA 27 Cb -0.20 -2.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 2cr5 s ALA 27 CO 0.05 -0.16 0.49 -0.51 0.00 0.00 0.00 175.76 175.63 2cr5 s LEU 28 N 1.00 4.18 -0.37 0.00 1.43 0.15 -0.94 118.68 124.14 2cr5 s LEU 28 Ca 0.05 0.69 -0.16 0.00 -1.03 0.00 0.00 54.13 53.67 2cr5 s LEU 28 Cb -0.14 -2.67 -0.00 0.00 0.03 0.00 0.00 46.19 43.41 2cr5 s LEU 28 CO 0.03 -0.11 0.41 -0.13 0.23 0.00 0.00 176.35 176.77 2cr5 s ARG 29 N 1.30 3.43 0.46 1.70 0.52 -0.25 -1.32 118.95 124.80 2cr5 s ARG 29 Ca 0.24 -0.48 -0.21 0.00 -0.52 0.00 0.00 55.73 54.76 2cr5 s ARG 29 Cb -0.15 -3.85 -0.09 0.00 0.52 0.00 0.00 34.95 31.37 2cr5 s ARG 29 CO 0.09 -0.64 1.01 0.00 0.02 0.00 0.00 175.30 175.79 2cr5 n PRO 31 N -0.82 0.49 -0.02 0.00 -0.04 -1.26 -2.02 135.00 131.34 2cr5 n PRO 31 Ca 0.08 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.64 2cr5 n PRO 31 Cb 0.53 -1.47 -0.16 0.00 -0.04 0.00 0.00 33.50 32.35 2cr5 n PRO 31 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2cr5 n ASN 32 N -0.97 0.25 0.00 3.54 0.23 -1.26 -5.00 115.26 112.04 2cr5 n ASN 32 Ca 0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.16 2cr5 n ASN 32 Cb 0.05 1.89 0.00 0.00 -2.08 0.00 0.00 39.78 39.64 2cr5 n ASN 32 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2cr5 n GLY 33 N 1.35 0.82 3.73 4.83 0.00 -0.86 -5.11 105.19 109.96 2cr5 n GLY 33 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 2cr5 n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cr5 s ARG 34 N 0.00 2.57 -0.13 1.61 1.81 -1.26 -4.78 118.95 118.77 2cr5 s ARG 34 Ca 0.00 1.97 -0.01 0.00 -1.72 0.00 0.00 55.73 55.97 2cr5 s ARG 34 Cb 0.00 -1.86 0.03 0.00 -0.45 0.00 0.00 34.95 32.67 2cr5 s ARG 34 CO 0.00 -1.56 -0.05 0.08 -0.68 0.00 0.00 175.30 173.08 2cr5 s VAL 35 N -1.53 0.96 -0.27 3.52 1.01 -1.26 -1.36 120.40 121.46 2cr5 s VAL 35 Ca 0.80 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 62.33 2cr5 s VAL 35 Cb -0.35 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 2cr5 s VAL 35 CO 0.39 0.25 0.14 -0.76 0.00 0.00 0.00 175.10 175.12 2cr5 s LEU 36 N 1.72 3.81 -0.04 3.92 1.43 -0.43 -4.96 118.68 124.13 2cr5 s LEU 36 Ca 0.03 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 52.93 2cr5 s LEU 36 Cb -0.14 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 2cr5 s LEU 36 CO -0.08 -0.07 0.08 -0.13 0.23 0.00 0.00 176.35 176.38 2cr5 s ARG 37 N 1.68 3.14 -0.20 1.70 0.52 -1.26 0.33 118.95 124.85 2cr5 s ARG 37 Ca 0.06 -0.40 -0.27 0.00 -0.52 0.00 0.00 55.73 54.60 2cr5 s ARG 37 Cb -0.16 -2.92 0.10 0.00 0.52 0.00 0.00 34.95 32.49 2cr5 s ARG 37 CO 0.07 0.68 0.85 0.50 0.02 0.00 0.00 175.30 177.43 2cr5 s ARG 38 N -1.45 0.75 0.35 3.54 3.52 -1.05 -4.98 118.95 119.62 2cr5 s ARG 38 Ca 0.20 0.56 -0.11 0.00 -0.13 0.00 0.00 55.73 56.25 2cr5 s ARG 38 Cb -0.12 0.36 -0.07 0.00 -1.56 0.00 0.00 34.95 33.56 2cr5 s ARG 38 CO 0.10 -0.16 0.71 1.03 -0.81 0.00 0.00 175.30 176.17 2cr5 s ARG 39 N -0.29 3.83 -0.21 5.12 0.52 -1.26 -0.90 118.95 125.76 2cr5 s ARG 39 Ca -0.02 0.44 -0.10 0.00 -0.52 0.00 0.00 55.73 55.54 2cr5 s ARG 39 Cb -0.03 -2.46 0.08 0.00 0.52 0.00 0.00 34.95 33.05 2cr5 s ARG 39 CO 0.01 0.09 0.48 -0.06 0.02 0.00 0.00 175.30 175.84 2cr5 s PHE 40 N -2.16 -0.80 1.01 -0.53 0.08 -0.20 -4.55 117.98 110.82 2cr5 s PHE 40 Ca 0.51 1.59 -0.16 0.00 0.12 0.00 0.00 56.93 58.99 2cr5 s PHE 40 Cb -0.10 0.39 0.03 0.00 -0.57 0.00 0.00 43.02 42.76 2cr5 s PHE 40 CO 0.26 -0.44 0.08 1.19 -0.10 0.00 0.00 175.22 176.21 2cr5 n PHE 41 N 4.71 -1.80 1.22 0.36 3.72 -1.26 -1.63 117.46 122.78 2cr5 n PHE 41 Ca -0.17 0.20 0.13 0.00 -0.05 0.00 0.00 57.45 57.55 2cr5 n PHE 41 Cb 0.54 -1.66 0.29 0.00 -0.94 0.00 0.00 39.48 37.71 2cr5 n PHE 41 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2cr5 n LYS 42 N -1.24 1.19 -0.02 -1.08 5.02 0.23 -3.97 118.16 118.29 2cr5 n LYS 42 Ca 0.04 -0.81 -0.07 0.00 -2.02 0.00 0.00 58.31 55.44 2cr5 n LYS 42 Cb 0.57 -1.48 -0.13 0.00 -0.02 0.00 0.00 35.03 33.97 2cr5 n LYS 42 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2cr5 n SER 43 N -0.19 0.81 -4.48 4.39 3.41 -1.26 -3.64 113.62 112.65 2cr5 n SER 43 Ca 0.13 0.38 -0.31 0.00 -0.26 0.00 0.00 58.87 58.81 2cr5 n SER 43 Cb 0.40 0.06 0.20 0.00 -0.26 0.00 0.00 64.21 64.60 2cr5 n SER 43 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2cr5 n TRP 44 N -2.99 -0.77 -4.30 7.33 8.01 -1.25 -4.68 117.44 118.78 2cr5 n TRP 44 Ca -0.17 0.11 -0.34 0.00 -1.31 0.00 0.00 57.50 55.79 2cr5 n TRP 44 Cb 1.02 -1.77 -0.10 0.00 -2.01 0.00 0.00 31.31 28.45 2cr5 n TRP 44 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.69 177.89 2cr5 s ASN 45 N -2.29 5.19 0.37 -0.99 3.84 -1.26 -1.72 114.94 118.08 2cr5 s ASN 45 Ca 0.64 0.05 0.31 0.00 0.21 0.00 0.00 52.86 54.06 2cr5 s ASN 45 Cb -0.21 -1.69 1.20 0.00 -0.55 0.00 0.00 41.25 40.00 2cr5 s ASN 45 CO 0.64 0.27 1.17 -1.54 -2.79 0.00 0.00 177.10 174.84 2cr5 n SER 46 N 2.89 0.08 -0.23 -4.21 3.41 -1.26 0.79 113.62 115.10 2cr5 n SER 46 Ca -0.18 0.90 0.01 0.00 -0.26 0.00 0.00 58.87 59.34 2cr5 n SER 46 Cb 0.53 -0.45 0.08 0.00 -0.26 0.00 0.00 64.21 64.11 2cr5 n SER 46 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2cr5 h GLN 47 N 0.00 0.01 -1.31 4.33 5.75 -1.93 0.37 115.11 122.33 2cr5 h GLN 47 Ca 0.68 -0.00 0.39 0.00 -0.15 0.00 0.00 58.65 59.57 2cr5 h GLN 47 Cb 2.45 -0.00 -0.10 0.00 1.07 0.00 0.00 27.48 30.90 2cr5 h GLN 47 CO -0.19 0.01 0.88 -0.24 -2.65 0.00 0.00 178.83 176.64 2cr5 h VAL 48 N 0.01 0.26 0.60 2.39 3.04 -0.02 0.29 116.25 122.82 2cr5 h VAL 48 Ca 0.33 -0.05 -0.02 0.00 -1.01 0.00 0.00 66.70 65.95 2cr5 h VAL 48 Cb 0.51 0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 29.90 2cr5 h VAL 48 CO -0.69 0.02 -0.38 -0.07 -1.01 0.00 0.00 177.57 175.45 2cr5 h LEU 49 N 0.13 -0.97 -0.88 3.16 3.38 -0.40 -2.48 115.31 117.24 2cr5 h LEU 49 Ca 0.73 0.06 0.34 0.00 0.09 0.00 0.00 57.88 59.10 2cr5 h LEU 49 Cb 2.42 0.29 -0.16 0.00 0.09 0.00 0.00 40.66 43.29 2cr5 h LEU 49 CO -0.25 -0.59 0.38 0.18 0.09 0.00 0.00 178.44 178.25 2cr5 n LEU 50 N -5.52 0.22 0.01 1.67 4.77 0.09 0.12 117.00 118.37 2cr5 n LEU 50 Ca -0.13 1.48 -0.12 0.00 -0.03 0.00 0.00 56.01 57.21 2cr5 n LEU 50 Cb 0.40 -0.68 -0.08 0.00 -2.33 0.00 0.00 43.42 40.74 2cr5 n LEU 50 CO 0.34 -1.62 0.79 -0.78 -1.33 0.00 0.00 177.39 174.79 2cr5 h ASP 51 N 0.00 0.04 -0.62 -1.43 1.82 -1.48 -2.59 116.42 112.15 2cr5 h ASP 51 Ca 0.71 -0.19 0.10 0.00 -0.39 0.00 0.00 57.03 57.26 2cr5 h ASP 51 Cb 1.80 -0.01 -0.04 0.00 0.68 0.00 0.00 39.33 41.76 2cr5 h ASP 51 CO -0.71 0.22 0.42 -0.25 -1.61 0.00 0.00 179.24 177.30 2cr5 h TRP 52 N -0.14 0.44 -0.31 0.28 7.01 0.11 -1.45 115.95 121.89 2cr5 h TRP 52 Ca 0.01 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 60.97 2cr5 h TRP 52 Cb 0.19 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 2cr5 h TRP 52 CO -0.01 0.21 0.02 1.98 -2.79 0.00 0.00 178.44 177.84 2cr5 h MET 53 N 0.41 0.54 0.00 2.65 4.05 -0.96 -2.32 114.93 119.31 2cr5 h MET 53 Ca 0.29 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 2cr5 h MET 53 Cb 0.58 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.33 2cr5 h MET 53 CO -0.08 0.67 0.00 0.52 0.23 0.00 0.00 176.91 178.25 2cr5 h MET 54 N 0.35 0.00 0.02 0.39 2.86 -0.45 -1.08 114.93 117.02 2cr5 h MET 54 Ca 0.09 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 2cr5 h MET 54 Cb 0.41 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 2cr5 h MET 54 CO 0.01 0.00 -0.27 0.87 1.06 0.00 0.00 176.91 178.58 2cr5 h LYS 55 N 0.00 0.04 0.00 1.72 1.79 -0.95 -3.31 116.57 115.87 2cr5 h LYS 55 Ca 0.00 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2cr5 h LYS 55 Cb 0.23 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.91 2cr5 h LYS 55 CO 0.00 1.04 -0.01 -0.39 -1.08 0.00 0.00 179.45 179.01 2cr5 h VAL 56 N -0.90 0.34 0.00 0.50 -1.51 -1.19 -3.45 116.25 110.04 2cr5 h VAL 56 Ca -0.06 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 2cr5 h VAL 56 Cb 1.13 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 2cr5 h VAL 56 CO -0.00 0.01 0.00 0.61 -1.23 0.00 0.00 177.57 176.96 2cr5 n GLY 57 N -1.18 1.03 3.16 5.19 0.00 -1.06 -5.13 105.19 107.19 2cr5 n GLY 57 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 2cr5 n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cr5 s TYR 58 N -2.00 -0.30 0.28 1.61 2.02 -0.43 -5.02 117.35 113.50 2cr5 s TYR 58 Ca 0.00 0.73 -0.02 0.00 -0.37 0.00 0.00 57.07 57.41 2cr5 s TYR 58 Cb 0.00 0.10 -0.04 0.00 -0.40 0.00 0.00 41.96 41.62 2cr5 s TYR 58 CO 0.00 -0.15 0.49 -1.58 -1.57 0.00 0.00 175.55 172.75 2cr5 s HIS 59 N 0.17 3.49 0.11 2.71 2.46 -1.26 -1.77 115.29 121.20 2cr5 s HIS 59 Ca -0.00 0.44 -0.11 0.00 0.47 0.00 0.00 55.06 55.85 2cr5 s HIS 59 Cb -0.02 -1.94 -0.13 0.00 -0.13 0.00 0.00 32.58 30.36 2cr5 s HIS 59 CO 0.00 0.23 1.33 1.57 -2.47 0.00 0.00 174.74 175.40 2cr5 h LYS 60 N 1.48 0.76 0.00 2.88 2.10 -1.88 -0.98 116.57 120.94 2cr5 h LYS 60 Ca -0.48 -0.61 0.00 0.00 -2.00 0.00 0.00 60.65 57.55 2cr5 h LYS 60 Cb 1.20 0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 2cr5 h LYS 60 CO 0.65 1.22 0.00 0.45 -2.00 0.00 0.00 179.45 179.77 2cr5 n SER 61 N -3.93 0.00 -0.03 7.07 2.88 -1.26 -2.42 113.62 115.93 2cr5 n SER 61 Ca -0.07 0.34 0.01 0.00 -1.33 0.00 0.00 58.87 57.83 2cr5 n SER 61 Cb 0.74 -0.42 -0.10 0.00 -0.75 0.00 0.00 64.21 63.67 2cr5 n SER 61 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2cr5 n LEU 62 N -1.42 0.00 -3.79 2.46 4.77 -1.11 -4.79 117.00 113.12 2cr5 n LEU 62 Ca 0.05 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 2cr5 n LEU 62 Cb 0.16 0.13 -0.10 0.00 -2.33 0.00 0.00 43.42 41.28 2cr5 n LEU 62 CO 0.13 0.13 -0.04 -0.31 -1.33 0.00 0.00 177.39 175.97 2cr5 s TYR 63 N -2.65 -0.16 0.28 -1.77 2.02 -0.39 -2.87 117.35 111.80 2cr5 s TYR 63 Ca -0.05 0.30 0.01 0.00 -0.37 0.00 0.00 57.07 56.96 2cr5 s TYR 63 Cb 0.06 0.07 0.01 0.00 -0.40 0.00 0.00 41.96 41.70 2cr5 s TYR 63 CO 0.52 -0.31 0.09 2.89 -1.57 0.00 0.00 175.55 177.18 2cr5 n ARG 64 N 1.72 1.23 -4.36 -0.62 1.85 -0.83 -4.19 116.66 111.46 2cr5 n ARG 64 Ca -0.20 -1.89 -0.33 0.00 -1.00 0.00 0.00 57.85 54.43 2cr5 n ARG 64 Cb 0.56 0.38 -0.15 0.00 -1.05 0.00 0.00 32.46 32.20 2cr5 n ARG 64 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2cr5 s LEU 65 N 0.00 2.43 0.18 2.89 1.43 -1.26 -3.32 118.68 121.03 2cr5 s LEU 65 Ca 0.07 -0.51 0.08 0.00 -1.03 0.00 0.00 54.13 52.74 2cr5 s LEU 65 Cb -0.01 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 2cr5 s LEU 65 CO 0.05 0.05 -0.15 -0.44 0.23 0.00 0.00 176.35 176.08 2cr5 s SER 66 N 1.01 2.48 0.54 2.29 0.01 -1.08 -2.70 113.70 116.26 2cr5 s SER 66 Ca -0.02 -0.94 -0.03 0.00 1.31 0.00 0.00 55.95 56.27 2cr5 s SER 66 Cb -0.15 -0.13 0.01 0.00 0.21 0.00 0.00 66.02 65.97 2cr5 s SER 66 CO -0.04 -0.14 0.82 0.42 0.41 0.00 0.00 173.24 174.72 2cr5 s THR 67 N -2.61 3.65 0.97 1.44 -4.23 -1.12 -1.17 115.64 112.58 2cr5 s THR 67 Ca 0.18 -0.22 -0.13 0.00 -1.18 0.00 0.00 61.69 60.33 2cr5 s THR 67 Cb -0.03 -3.41 0.17 0.00 1.34 0.00 0.00 72.50 70.57 2cr5 s THR 67 CO 0.06 -0.37 1.14 -0.94 -0.54 0.00 0.00 174.62 173.97 2cr5 s SER 68 N -4.29 2.94 -0.28 3.99 1.04 -1.15 -3.65 113.70 112.29 2cr5 s SER 68 Ca 0.52 0.91 -0.43 0.00 0.48 0.00 0.00 55.95 57.44 2cr5 s SER 68 Cb -0.10 -1.43 -0.19 0.00 0.10 0.00 0.00 66.02 64.40 2cr5 s SER 68 CO 0.42 -2.90 1.49 2.22 0.98 0.00 0.00 173.24 175.45 2cr5 n PHE 69 N -3.99 1.55 -2.18 5.02 -1.74 -1.26 -3.14 117.46 111.72 2cr5 n PHE 69 Ca 0.08 0.94 -0.42 0.00 -0.56 0.00 0.00 57.45 57.49 2cr5 n PHE 69 Cb 0.59 -2.26 -0.03 0.00 1.52 0.00 0.00 39.48 39.30 2cr5 n PHE 69 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 2cr5 s PRO 70 N 2.20 4.27 -0.27 3.97 0.04 -1.26 -5.09 135.00 138.86 2cr5 s PRO 70 Ca 0.98 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 63.76 2cr5 s PRO 70 Cb -1.30 -3.56 -0.02 0.00 0.04 0.00 0.00 34.50 29.66 2cr5 s PRO 70 CO 0.69 -0.59 1.61 0.50 0.04 0.00 0.00 177.00 179.25 2cr5 s ARG 71 N 2.38 3.69 0.11 4.56 3.00 -1.19 -4.79 118.95 126.71 2cr5 s ARG 71 Ca 0.65 1.51 0.04 0.00 -1.00 0.00 0.00 55.73 56.93 2cr5 s ARG 71 Cb -0.33 -4.06 -0.04 0.00 0.00 0.00 0.00 34.95 30.53 2cr5 s ARG 71 CO 0.27 -1.42 -0.10 0.50 0.00 0.00 0.00 175.30 174.55 2cr5 s ARG 72 N 4.86 0.89 -0.34 5.12 3.52 -1.24 -4.99 118.95 126.77 2cr5 s ARG 72 Ca 0.71 -1.22 -0.26 0.00 -0.13 0.00 0.00 55.73 54.83 2cr5 s ARG 72 Cb -0.23 -0.55 0.01 0.00 -1.56 0.00 0.00 34.95 32.63 2cr5 s ARG 72 CO 0.30 0.08 0.95 0.00 -0.81 0.00 0.00 175.30 175.82 2cr5 s ALA 73 N -2.63 3.46 0.41 6.12 0.00 -1.26 -2.77 121.76 125.08 2cr5 s ALA 73 Ca 0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.71 2cr5 s ALA 73 Cb -0.02 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 2cr5 s ALA 73 CO -0.00 -1.50 0.65 -0.51 0.00 0.00 0.00 175.76 174.40 2cr5 s LEU 74 N 3.45 3.82 -0.01 0.00 2.01 -1.10 -5.02 118.68 121.84 2cr5 s LEU 74 Ca 0.40 0.60 0.06 0.00 0.01 0.00 0.00 54.13 55.20 2cr5 s LEU 74 Cb -0.12 -3.49 -0.02 0.00 0.01 0.00 0.00 46.19 42.57 2cr5 s LEU 74 CO 0.17 -0.46 -0.20 -1.83 1.01 0.00 0.00 176.35 175.03 2cr5 s GLU 75 N -4.51 1.59 -0.98 1.70 -1.05 -1.26 -4.68 118.70 109.51 2cr5 s GLU 75 Ca 0.44 -0.75 -0.24 0.00 -0.15 0.00 0.00 54.97 54.27 2cr5 s GLU 75 Cb -0.10 -1.56 0.04 0.00 -0.44 0.00 0.00 34.13 32.07 2cr5 s GLU 75 CO 0.39 0.43 1.46 0.08 0.95 0.00 0.00 175.26 178.57 2cr5 s VAL 76 N -0.52 3.86 -0.83 1.83 1.01 -1.26 -4.94 120.40 119.56 2cr5 s VAL 76 Ca 0.08 -0.59 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 2cr5 s VAL 76 Cb -0.08 -4.97 0.13 0.00 0.00 0.00 0.00 36.38 31.46 2cr5 s VAL 76 CO -0.00 -1.86 1.01 -0.70 0.00 0.00 0.00 175.10 173.54 2cr5 s GLU 77 N 5.21 3.44 0.07 2.72 2.56 -1.26 -4.93 118.70 126.51 2cr5 s GLU 77 Ca 0.46 -1.61 -0.17 0.00 0.00 0.00 0.00 54.97 53.66 2cr5 s GLU 77 Cb -0.01 -4.66 -0.06 0.00 2.00 0.00 0.00 34.13 31.40 2cr5 s GLU 77 CO -0.06 -1.70 1.29 0.78 -0.56 0.00 0.00 175.26 175.00 2cr5 h GLY 78 N 10.26 -1.49 -0.72 -1.50 0.00 -1.97 -0.54 103.07 107.11 2cr5 h GLY 78 Ca 0.01 0.80 0.25 0.00 0.00 0.00 0.00 47.33 48.39 2cr5 h GLY 78 CO 1.09 -0.42 0.21 0.61 0.00 0.00 0.00 176.54 178.03 2cr5 n GLY 79 N -1.19 -0.75 3.84 4.60 0.00 -1.26 -4.15 105.19 106.28 2cr5 n GLY 79 Ca -0.02 0.65 -0.37 0.00 0.00 0.00 0.00 46.02 46.28 2cr5 n GLY 79 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr5 s SER 80 N -4.82 6.82 1.05 1.61 0.01 -0.21 -5.09 113.70 113.06 2cr5 s SER 80 Ca -0.08 0.99 -0.13 0.00 1.31 0.00 0.00 55.95 58.04 2cr5 s SER 80 Cb 0.23 -2.26 0.18 0.00 0.21 0.00 0.00 66.02 64.38 2cr5 s SER 80 CO 0.56 0.28 0.92 -1.54 0.41 0.00 0.00 173.24 173.87 2cr5 n SER 81 N 1.58 -0.40 -0.20 2.44 3.41 -1.26 -4.53 113.62 114.65 2cr5 n SER 81 Ca -0.12 -1.26 -0.06 0.00 -0.26 0.00 0.00 58.87 57.17 2cr5 n SER 81 Cb 0.52 -0.74 0.03 0.00 -0.26 0.00 0.00 64.21 63.77 2cr5 n SER 81 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2cr5 h LEU 82 N 0.00 0.67 -0.81 1.04 3.38 -1.49 -1.41 115.31 116.69 2cr5 h LEU 82 Ca -0.31 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.53 2cr5 h LEU 82 Cb 0.87 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2cr5 h LEU 82 CO 0.21 0.50 -0.49 1.05 0.09 0.00 0.00 178.44 179.80 2cr5 h GLU 83 N 0.79 0.00 -0.46 1.13 4.11 -1.76 -0.69 114.58 117.69 2cr5 h GLU 83 Ca 0.21 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.51 2cr5 h GLU 83 Cb -0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2cr5 h GLU 83 CO -0.04 0.49 -0.22 -0.44 0.07 0.00 0.00 179.01 178.87 2cr5 h ASP 84 N 0.00 0.99 0.59 3.06 5.19 -1.70 -2.96 116.42 121.59 2cr5 h ASP 84 Ca -0.00 -0.40 -0.10 0.00 -0.62 0.00 0.00 57.03 55.90 2cr5 h ASP 84 Cb 1.01 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 40.24 2cr5 h ASP 84 CO 0.06 1.17 -0.48 0.16 -3.12 0.00 0.00 179.24 177.03 2cr5 h ILE 85 N 0.80 1.25 0.00 0.35 3.07 -1.22 -3.46 117.51 118.30 2cr5 h ILE 85 Ca 0.10 -1.70 0.00 0.00 1.55 0.00 0.00 64.86 64.81 2cr5 h ILE 85 Cb 0.79 1.94 0.00 0.00 -0.27 0.00 0.00 36.82 39.29 2cr5 h ILE 85 CO 0.07 0.47 0.00 0.61 -1.05 0.00 0.00 178.15 178.25 2cr5 n GLY 86 N 0.01 0.32 1.25 0.16 0.00 -1.11 -5.06 105.19 100.76 2cr5 n GLY 86 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 2cr5 n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2cr5 n ILE 87 N 0.00 1.37 0.30 -0.61 2.08 -0.28 -4.79 119.36 117.42 2cr5 n ILE 87 Ca 0.00 -2.51 0.18 0.00 0.56 0.00 0.00 62.75 60.98 2cr5 n ILE 87 Cb 0.00 0.24 0.88 0.00 -0.75 0.00 0.00 39.64 40.01 2cr5 n ILE 87 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 2cr5 h THR 88 N 3.66 0.11 -3.92 1.39 1.35 -1.78 -3.39 112.91 110.31 2cr5 h THR 88 Ca -0.06 -0.35 -0.26 0.00 -0.55 0.00 0.00 66.41 65.20 2cr5 h THR 88 Cb 1.40 1.31 -0.15 0.00 -1.73 0.00 0.00 68.15 68.98 2cr5 h THR 88 CO 0.13 0.02 -0.66 0.68 -0.25 0.00 0.00 175.52 175.44 2cr5 s VAL 89 N -3.93 0.54 -0.13 6.82 -7.23 -1.26 -4.92 120.40 110.30 2cr5 s VAL 89 Ca -0.02 -1.96 -0.36 0.00 -1.81 0.00 0.00 61.98 57.84 2cr5 s VAL 89 Cb 0.11 -2.05 -0.17 0.00 0.56 0.00 0.00 36.38 34.83 2cr5 s VAL 89 CO 0.50 -0.52 1.04 -0.67 -0.31 0.00 0.00 175.10 175.14 2cr5 n ASP 90 N -0.18 0.30 -3.78 4.85 2.03 -1.26 -4.79 116.55 113.72 2cr5 n ASP 90 Ca -0.07 0.99 -0.13 0.00 0.52 0.00 0.00 54.79 56.10 2cr5 n ASP 90 Cb 0.63 -0.77 -0.12 0.00 -0.72 0.00 0.00 41.12 40.14 2cr5 n ASP 90 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2cr5 s THR 91 N 0.76 -0.01 -0.24 5.18 2.01 -0.99 -4.95 115.64 117.40 2cr5 s THR 91 Ca 0.80 0.05 -0.09 0.00 0.31 0.00 0.00 61.69 62.76 2cr5 s THR 91 Cb -1.13 -0.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 2cr5 s THR 91 CO 0.54 0.02 0.13 -0.69 -0.69 0.00 0.00 174.62 173.94 2cr5 s VAL 92 N 0.51 5.04 -0.00 3.82 1.01 -1.26 -3.47 120.40 126.05 2cr5 s VAL 92 Ca -0.03 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 2cr5 s VAL 92 Cb -0.05 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2cr5 s VAL 92 CO -0.03 0.35 0.13 -0.76 0.00 0.00 0.00 175.10 174.80 2cr5 s LEU 93 N 1.15 4.14 -0.05 3.92 1.43 -0.12 -2.92 118.68 126.24 2cr5 s LEU 93 Ca 0.06 0.25 0.06 0.00 -1.03 0.00 0.00 54.13 53.47 2cr5 s LEU 93 Cb -0.14 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.60 2cr5 s LEU 93 CO 0.05 0.26 -0.23 0.20 0.23 0.00 0.00 176.35 176.86 2cr5 s ASN 94 N -1.88 3.29 -0.62 2.29 0.01 -0.32 -1.09 114.94 116.63 2cr5 s ASN 94 Ca 0.26 -0.43 -0.24 0.00 -0.71 0.00 0.00 52.86 51.74 2cr5 s ASN 94 Cb -0.12 -0.69 0.05 0.00 0.41 0.00 0.00 41.25 40.90 2cr5 s ASN 94 CO 0.17 0.29 0.98 -0.69 -1.51 0.00 0.00 177.10 176.34 2cr5 s VAL 95 N -0.42 4.30 0.37 1.60 1.01 -0.80 -2.62 120.40 123.85 2cr5 s VAL 95 Ca 0.04 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.10 2cr5 s VAL 95 Cb -0.12 -4.64 -0.01 0.00 0.00 0.00 0.00 36.38 31.61 2cr5 s VAL 95 CO 0.01 -1.34 0.40 -1.61 0.00 0.00 0.00 175.10 172.57 2cr5 s GLU 96 N 4.16 2.81 -0.12 2.72 0.41 -1.21 -4.50 118.70 122.98 2cr5 s GLU 96 Ca 0.27 -1.26 -0.24 0.00 -0.41 0.00 0.00 54.97 53.33 2cr5 s GLU 96 Cb -0.14 -2.60 -0.03 0.00 -1.78 0.00 0.00 34.13 29.59 2cr5 s GLU 96 CO 0.15 -0.04 0.75 -1.21 -0.49 0.00 0.00 175.26 174.42 2cr5 s GLU 97 N -4.13 4.36 0.84 1.61 2.02 -1.26 -1.97 118.70 120.16 2cr5 s GLU 97 Ca 0.46 0.92 -0.10 0.00 0.02 0.00 0.00 54.97 56.26 2cr5 s GLU 97 Cb -0.07 -3.51 0.10 0.00 0.10 0.00 0.00 34.13 30.75 2cr5 s GLU 97 CO 0.29 -0.13 1.12 0.15 0.02 0.00 0.00 175.26 176.71 2cr5 s LYS 98 N 1.48 1.63 0.77 1.61 1.02 -1.14 -4.88 119.74 120.22 2cr5 s LYS 98 Ca 0.37 1.35 -0.08 0.00 0.02 0.00 0.00 55.97 57.64 2cr5 s LYS 98 Cb -0.17 -1.81 0.10 0.00 -0.52 0.00 0.00 37.83 35.43 2cr5 s LYS 98 CO 0.15 -2.14 1.08 -1.21 -0.92 0.00 0.00 175.35 172.31 2cr5 s GLU 99 N -4.78 1.76 -0.15 1.68 0.41 -1.26 -5.00 118.70 111.36 2cr5 s GLU 99 Ca 0.64 -0.44 -0.24 0.00 -0.41 0.00 0.00 54.97 54.52 2cr5 s GLU 99 Cb -0.20 -2.12 -0.21 0.00 -1.78 0.00 0.00 34.13 29.81 2cr5 s GLU 99 CO 0.57 -1.54 0.55 0.37 -0.49 0.00 0.00 175.26 174.72 2cr5 h GLN 100 N -0.82 0.00 -6.08 1.61 4.15 -1.97 -3.44 115.11 108.56 2cr5 h GLN 100 Ca -0.43 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.43 2cr5 h GLN 100 Cb 1.29 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.96 2cr5 h GLN 100 CO 0.52 0.88 1.39 -1.54 -1.93 0.00 0.00 178.83 178.15 2cr5 s SER 101 N -6.29 5.52 0.28 -0.69 1.04 -1.26 -4.85 113.70 107.45 2cr5 s SER 101 Ca -0.19 1.32 -0.06 0.00 0.48 0.00 0.00 55.95 57.49 2cr5 s SER 101 Cb -0.01 -2.52 0.50 0.00 0.10 0.00 0.00 66.02 64.10 2cr5 s SER 101 CO 0.59 -2.00 1.57 0.77 0.98 0.00 0.00 173.24 175.15 2cr5 h SER 102 N 14.55 -0.79 -2.74 7.02 4.64 -2.04 -3.37 113.55 130.81 2cr5 h SER 102 Ca -0.34 0.28 -0.54 0.00 -0.47 0.00 0.00 61.79 60.73 2cr5 h SER 102 Cb 1.20 0.57 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 2cr5 h SER 102 CO 1.05 -0.32 0.97 -1.58 -0.87 0.00 0.00 176.83 176.08 2cr5 s GLN 103 N -6.20 4.22 0.00 4.77 0.74 -1.26 -5.00 119.66 116.93 2cr5 s GLN 103 Ca -0.14 2.15 -0.01 0.00 0.05 0.00 0.00 55.36 57.40 2cr5 s GLN 103 Cb 0.27 -3.71 -0.04 0.00 1.10 0.00 0.00 33.01 30.63 2cr5 s GLN 103 CO 0.78 -0.72 0.15 0.45 -0.55 0.00 0.00 175.29 175.40 2cr5 s SER 104 N 2.50 6.12 -0.26 6.67 0.15 -1.26 -4.76 113.70 122.86 2cr5 s SER 104 Ca 0.70 0.26 -0.10 0.00 0.70 0.00 0.00 55.95 57.51 2cr5 s SER 104 Cb -0.35 -1.86 0.01 0.00 -1.71 0.00 0.00 66.02 62.11 2cr5 s SER 104 CO 0.29 0.25 0.37 0.61 1.20 0.00 0.00 173.24 175.96 2cr5 n GLY 105 N 0.93 -1.07 3.56 9.45 0.00 -1.26 -4.86 105.19 111.94 2cr5 n GLY 105 Ca -0.11 0.73 -0.27 0.00 0.00 0.00 0.00 46.02 46.38 2cr5 n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr5 s PRO 106 N -1.99 2.54 -1.44 1.61 0.04 -1.26 -3.63 135.00 130.88 2cr5 s PRO 106 Ca 0.15 -0.34 -0.10 0.00 0.04 0.00 0.00 61.00 60.75 2cr5 s PRO 106 Cb -0.04 -5.07 0.05 0.00 0.04 0.00 0.00 34.50 29.47 2cr5 s PRO 106 CO 0.47 -3.43 1.02 0.43 0.04 0.00 0.00 177.00 175.53 2cr5 n SER 107 N 14.04 -4.77 -3.99 6.66 7.64 -1.26 -4.98 113.62 126.96 2cr5 n SER 107 Ca 0.41 -0.70 -0.21 0.00 1.01 0.00 0.00 58.87 59.38 2cr5 n SER 107 Cb 0.47 -4.32 -0.16 0.00 -1.01 0.00 0.00 64.21 59.19 2cr5 n SER 107 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cr5 s SER 108 N -3.48 1.24 0.00 6.43 0.01 -1.24 -5.31 113.70 111.35 2cr5 s SER 108 Ca 0.54 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.60 2cr5 s SER 108 Cb -0.26 -0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.57 2cr5 s SER 108 CO 0.79 0.04 0.00 0.61 0.41 0.00 0.00 173.24 175.10