#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 2.57 0.23 1.61 0.15 -1.26 -5.03 113.70 111.98 2cr5 s SER 2 Ca 0.00 1.90 0.04 0.00 0.70 0.00 0.00 55.95 58.60 2cr5 s SER 2 Cb 0.00 -2.45 -0.03 0.00 -1.71 0.00 0.00 66.02 61.83 2cr5 s SER 2 CO 0.00 -3.27 0.36 -0.44 1.20 0.00 0.00 173.24 171.09 2cr5 s SER 3 N -2.77 6.32 -0.20 5.45 0.01 -1.26 -4.84 113.70 116.41 2cr5 s SER 3 Ca 0.66 0.10 -0.01 0.00 1.31 0.00 0.00 55.95 58.02 2cr5 s SER 3 Cb -0.22 -1.88 0.00 0.00 0.21 0.00 0.00 66.02 64.13 2cr5 s SER 3 CO 0.59 -0.06 0.02 0.61 0.41 0.00 0.00 173.24 174.81 2cr5 n GLY 4 N -1.30 -3.64 3.30 3.44 0.00 -1.26 -4.97 105.19 100.76 2cr5 n GLY 4 Ca -0.09 0.23 -0.46 0.00 0.00 0.00 0.00 46.02 45.71 2cr5 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr5 s SER 5 N -1.08 6.24 0.24 1.61 0.01 -1.26 -5.06 113.70 114.41 2cr5 s SER 5 Ca 0.01 -1.99 -0.29 0.00 1.31 0.00 0.00 55.95 54.99 2cr5 s SER 5 Cb -0.00 -2.19 -0.09 0.00 0.21 0.00 0.00 66.02 63.95 2cr5 s SER 5 CO 0.50 -0.78 0.92 -0.94 0.41 0.00 0.00 173.24 173.34 2cr5 s SER 6 N 3.20 7.57 0.00 2.44 1.04 -1.26 -4.11 113.70 122.58 2cr5 s SER 6 Ca 0.06 1.89 0.00 0.00 0.48 0.00 0.00 55.95 58.39 2cr5 s SER 6 Cb -0.26 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.27 2cr5 s SER 6 CO 0.00 0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.97 2cr5 n GLY 7 N 1.36 0.76 3.58 7.32 0.00 -1.26 -4.96 105.19 111.99 2cr5 n GLY 7 Ca -0.02 -0.48 -0.48 0.00 0.00 0.00 0.00 46.02 45.04 2cr5 n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cr5 n GLU 8 N -0.57 1.74 -3.40 1.61 1.02 -1.26 -4.94 120.64 114.85 2cr5 n GLU 8 Ca 0.00 0.55 -0.38 0.00 -0.02 0.00 0.00 57.16 57.31 2cr5 n GLU 8 Cb 0.40 -2.76 -0.06 0.00 -0.02 0.00 0.00 31.44 29.00 2cr5 n GLU 8 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2cr5 s VAL 9 N 6.46 4.96 0.45 2.62 0.11 -1.26 -5.06 120.40 128.68 2cr5 s VAL 9 Ca 1.01 0.98 -0.23 0.00 -2.93 0.00 0.00 61.98 60.80 2cr5 s VAL 9 Cb -0.64 -3.79 -0.08 0.00 -1.53 0.00 0.00 36.38 30.35 2cr5 s VAL 9 CO 0.46 0.53 1.17 -2.16 -3.33 0.00 0.00 175.10 171.77 2cr5 s PRO 10 N -0.84 3.80 0.12 1.54 0.04 -1.26 -5.06 135.00 133.34 2cr5 s PRO 10 Ca 0.26 1.79 0.10 0.00 0.04 0.00 0.00 61.00 63.19 2cr5 s PRO 10 Cb -0.17 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 2cr5 s PRO 10 CO 0.15 -0.52 -0.25 0.16 0.04 0.00 0.00 177.00 176.57 2cr5 s ASP 11 N -1.33 3.40 0.12 6.66 1.47 -1.26 -5.03 116.67 120.71 2cr5 s ASP 11 Ca 0.63 -0.70 0.02 0.00 1.18 0.00 0.00 52.55 53.67 2cr5 s ASP 11 Cb -0.29 -0.28 -0.04 0.00 -0.34 0.00 0.00 42.92 41.97 2cr5 s ASP 11 CO 0.35 0.19 0.25 -0.76 0.68 0.00 0.00 175.17 175.88 2cr5 s LEU 12 N -2.00 4.30 1.08 2.11 1.43 -1.26 -5.05 118.68 119.30 2cr5 s LEU 12 Ca 0.14 0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 53.27 2cr5 s LEU 12 Cb -0.10 -2.89 0.23 0.00 0.03 0.00 0.00 46.19 43.46 2cr5 s LEU 12 CO 0.06 0.09 1.10 -2.16 0.23 0.00 0.00 176.35 175.67 2cr5 s PRO 13 N -3.01 -0.22 -0.08 1.29 0.04 -1.26 -4.91 135.00 126.86 2cr5 s PRO 13 Ca 0.34 0.29 -0.29 0.00 0.04 0.00 0.00 61.00 61.38 2cr5 s PRO 13 Cb -0.12 -1.68 -0.07 0.00 0.04 0.00 0.00 34.50 32.68 2cr5 s PRO 13 CO 0.28 -3.12 2.00 -1.21 0.04 0.00 0.00 177.00 175.00 2cr5 s GLU 14 N -5.12 3.75 0.11 4.56 0.41 -1.26 -4.92 118.70 116.23 2cr5 s GLU 14 Ca 0.67 2.29 -0.31 0.00 -0.41 0.00 0.00 54.97 57.21 2cr5 s GLU 14 Cb -0.16 -4.22 -0.08 0.00 -1.78 0.00 0.00 34.13 27.89 2cr5 s GLU 14 CO 0.57 -1.39 1.49 -2.00 -0.49 0.00 0.00 175.26 173.44 2cr5 s GLU 15 N 5.13 4.26 0.57 1.61 -6.30 -1.26 -4.98 118.70 117.72 2cr5 s GLU 15 Ca 0.90 2.19 -0.19 0.00 -2.50 0.00 0.00 54.97 55.37 2cr5 s GLU 15 Cb -0.37 -3.32 -0.05 0.00 0.00 0.00 0.00 34.13 30.40 2cr5 s GLU 15 CO 0.37 -0.55 1.13 -1.25 0.02 0.00 0.00 175.26 174.98 2cr5 s PRO 16 N 1.53 3.25 0.33 4.30 0.04 -1.26 -5.04 135.00 138.14 2cr5 s PRO 16 Ca 0.68 1.57 -0.09 0.00 0.04 0.00 0.00 61.00 63.19 2cr5 s PRO 16 Cb -0.39 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.09 2cr5 s PRO 16 CO 0.30 -0.93 0.66 0.45 0.04 0.00 0.00 177.00 177.53 2cr5 s SER 17 N -1.93 6.55 0.34 6.66 0.15 -1.26 -4.76 113.70 119.45 2cr5 s SER 17 Ca 0.72 1.00 0.14 0.00 0.70 0.00 0.00 55.95 58.50 2cr5 s SER 17 Cb -0.23 -2.26 1.09 0.00 -1.71 0.00 0.00 66.02 62.91 2cr5 s SER 17 CO 0.30 -0.26 1.64 1.05 1.20 0.00 0.00 173.24 177.17 2cr5 h GLU 18 N 1.74 0.21 -0.06 5.44 4.11 -1.99 0.75 114.58 124.78 2cr5 h GLU 18 Ca -0.47 -0.01 -0.21 0.00 0.07 0.00 0.00 59.36 58.74 2cr5 h GLU 18 Cb 1.18 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2cr5 h GLU 18 CO 0.66 0.14 -0.82 1.79 0.07 0.00 0.00 179.01 180.85 2cr5 h THR 19 N 0.22 1.37 -0.47 -1.06 1.35 -1.99 -3.46 112.91 108.87 2cr5 h THR 19 Ca 0.74 -2.23 -0.62 0.00 -0.55 0.00 0.00 66.41 63.75 2cr5 h THR 19 Cb 1.73 2.21 -0.01 0.00 -1.73 0.00 0.00 68.15 70.35 2cr5 h THR 19 CO -0.67 0.67 0.67 0.00 -0.25 0.00 0.00 175.52 175.95 2cr5 n ALA 20 N -2.54 -0.59 -1.01 6.62 0.00 0.26 -4.86 120.51 118.40 2cr5 n ALA 20 Ca -0.06 0.29 -0.30 0.00 0.00 0.00 0.00 53.44 53.37 2cr5 n ALA 20 Cb 0.76 -1.45 0.15 0.00 0.00 0.00 0.00 19.45 18.92 2cr5 n ALA 20 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2cr5 s GLU 21 N 2.98 1.04 -1.55 0.00 2.02 -1.26 -3.54 118.70 118.39 2cr5 s GLU 21 Ca 0.81 1.02 -0.14 0.00 0.02 0.00 0.00 54.97 56.69 2cr5 s GLU 21 Cb -1.10 -1.77 0.09 0.00 0.10 0.00 0.00 34.13 31.45 2cr5 s GLU 21 CO 0.56 -2.45 0.94 0.39 0.02 0.00 0.00 175.26 174.72 2cr5 n GLU 22 N -4.05 -5.14 -4.38 1.61 4.71 -1.26 -4.90 120.64 107.22 2cr5 n GLU 22 Ca 0.08 0.56 -0.22 0.00 -0.01 0.00 0.00 57.16 57.57 2cr5 n GLU 22 Cb 0.54 -5.41 -0.16 0.00 -1.01 0.00 0.00 31.44 25.40 2cr5 n GLU 22 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2cr5 s VAL 23 N -3.32 0.85 0.17 2.62 1.01 -1.23 -0.68 120.40 119.81 2cr5 s VAL 23 Ca 0.64 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.39 2cr5 s VAL 23 Cb -0.33 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 2cr5 s VAL 23 CO 0.85 0.29 -0.06 0.68 0.00 0.00 0.00 175.10 176.85 2cr5 s VAL 24 N 0.78 3.38 -0.54 2.92 -7.23 -0.28 -4.90 120.40 114.54 2cr5 s VAL 24 Ca -0.13 -1.55 -0.20 0.00 -1.81 0.00 0.00 61.98 58.29 2cr5 s VAL 24 Cb -0.15 -2.68 0.07 0.00 0.56 0.00 0.00 36.38 34.18 2cr5 s VAL 24 CO 0.02 -0.09 0.70 -0.89 -0.31 0.00 0.00 175.10 174.53 2cr5 s THR 25 N -1.67 4.77 -0.19 5.32 2.01 -1.26 -0.16 115.64 124.45 2cr5 s THR 25 Ca 0.25 -0.50 -0.06 0.00 0.31 0.00 0.00 61.69 61.70 2cr5 s THR 25 Cb -0.09 -4.39 -0.03 0.00 0.01 0.00 0.00 72.50 67.99 2cr5 s THR 25 CO 0.16 -0.96 0.02 -0.69 -0.69 0.00 0.00 174.62 172.47 2cr5 s VAL 26 N 2.90 4.24 0.18 3.82 1.01 -0.17 -2.29 120.40 130.09 2cr5 s VAL 26 Ca 0.17 -0.22 0.09 0.00 0.00 0.00 0.00 61.98 62.01 2cr5 s VAL 26 Cb -0.19 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 2cr5 s VAL 26 CO 0.11 0.44 -0.09 0.00 0.00 0.00 0.00 175.10 175.56 2cr5 s ALA 27 N 0.79 2.96 -0.15 5.51 0.00 -1.16 -2.67 121.76 127.05 2cr5 s ALA 27 Ca 0.01 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 50.51 2cr5 s ALA 27 Cb -0.14 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.24 2cr5 s ALA 27 CO 0.02 0.46 -0.19 -0.51 0.00 0.00 0.00 175.76 175.54 2cr5 s LEU 28 N -2.86 2.28 -1.07 0.00 1.43 -0.28 -0.21 118.68 117.97 2cr5 s LEU 28 Ca 0.25 -0.55 -0.14 0.00 -1.03 0.00 0.00 54.13 52.66 2cr5 s LEU 28 Cb -0.09 -1.50 0.19 0.00 0.03 0.00 0.00 46.19 44.82 2cr5 s LEU 28 CO 0.15 0.08 1.20 -0.13 0.23 0.00 0.00 176.35 177.88 2cr5 s ARG 29 N 0.86 3.93 0.54 1.70 0.52 0.82 -2.18 118.95 125.14 2cr5 s ARG 29 Ca -0.05 -2.49 -0.20 0.00 -0.52 0.00 0.00 55.73 52.47 2cr5 s ARG 29 Cb -0.15 -4.84 -0.08 0.00 0.52 0.00 0.00 34.95 30.40 2cr5 s ARG 29 CO -0.02 -1.60 0.80 0.00 0.02 0.00 0.00 175.30 174.50 2cr5 n PRO 31 N -0.35 0.48 -1.15 0.00 -0.04 -1.25 -2.72 135.00 129.97 2cr5 n PRO 31 Ca 0.12 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.39 2cr5 n PRO 31 Cb 0.45 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.58 2cr5 n PRO 31 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2cr5 n ASN 32 N -1.01 3.92 0.00 3.54 3.02 -1.26 -4.88 115.26 118.59 2cr5 n ASN 32 Ca 0.11 -3.70 0.00 0.00 -0.03 0.00 0.00 54.58 50.97 2cr5 n ASN 32 Cb 0.06 -0.78 0.00 0.00 -0.61 0.00 0.00 39.78 38.45 2cr5 n ASN 32 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cr5 n GLY 33 N -1.10 0.11 3.89 7.41 0.00 -1.10 -4.96 105.19 109.44 2cr5 n GLY 33 Ca 0.52 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.50 3.67 -0.05 1.61 1.81 -1.24 -4.97 118.95 118.29 2cr5 s ARG 34 Ca 0.00 0.03 -0.01 0.00 -1.72 0.00 0.00 55.73 54.03 2cr5 s ARG 34 Cb 0.00 -2.77 0.03 0.00 -0.45 0.00 0.00 34.95 31.76 2cr5 s ARG 34 CO 0.00 0.40 0.01 0.08 -0.68 0.00 0.00 175.30 175.11 2cr5 s VAL 35 N -1.74 0.22 -0.08 3.52 1.01 -1.26 -0.77 120.40 121.31 2cr5 s VAL 35 Ca 0.43 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.59 2cr5 s VAL 35 Cb -0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.89 2cr5 s VAL 35 CO 0.24 0.19 -0.21 -0.76 0.00 0.00 0.00 175.10 174.56 2cr5 s LEU 36 N 1.51 2.29 -0.01 3.92 1.43 -0.93 -4.98 118.68 121.91 2cr5 s LEU 36 Ca -0.03 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 2cr5 s LEU 36 Cb -0.13 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 2cr5 s LEU 36 CO -0.03 0.23 -0.07 -0.13 0.23 0.00 0.00 176.35 176.58 2cr5 s ARG 37 N -0.07 2.58 -0.04 1.70 0.52 -1.26 -1.13 118.95 121.26 2cr5 s ARG 37 Ca -0.05 -0.69 -0.29 0.00 -0.52 0.00 0.00 55.73 54.18 2cr5 s ARG 37 Cb -0.14 -2.52 0.10 0.00 0.52 0.00 0.00 34.95 32.91 2cr5 s ARG 37 CO 0.04 0.61 0.83 0.50 0.02 0.00 0.00 175.30 177.31 2cr5 s ARG 38 N -1.31 0.87 0.19 3.54 3.52 -1.09 -5.01 118.95 119.67 2cr5 s ARG 38 Ca 0.16 -0.06 -0.11 0.00 -0.13 0.00 0.00 55.73 55.60 2cr5 s ARG 38 Cb -0.11 0.41 -0.07 0.00 -1.56 0.00 0.00 34.95 33.62 2cr5 s ARG 38 CO 0.06 -0.33 0.53 1.03 -0.81 0.00 0.00 175.30 175.79 2cr5 s ARG 39 N -2.15 3.84 -0.10 5.12 0.52 -1.26 -1.00 118.95 123.92 2cr5 s ARG 39 Ca -0.01 0.31 -0.04 0.00 -0.52 0.00 0.00 55.73 55.47 2cr5 s ARG 39 Cb -0.01 -2.76 0.05 0.00 0.52 0.00 0.00 34.95 32.76 2cr5 s ARG 39 CO -0.02 0.38 0.21 -0.06 0.02 0.00 0.00 175.30 175.84 2cr5 s PHE 40 N -1.68 -0.29 1.13 -0.53 0.08 0.77 -4.57 117.98 112.89 2cr5 s PHE 40 Ca 0.43 0.73 -0.18 0.00 0.12 0.00 0.00 56.93 58.04 2cr5 s PHE 40 Cb -0.12 -0.05 0.13 0.00 -0.57 0.00 0.00 43.02 42.41 2cr5 s PHE 40 CO 0.20 -0.25 0.10 1.19 -0.10 0.00 0.00 175.22 176.37 2cr5 n PHE 41 N 4.65 -1.64 -0.02 0.36 3.72 -1.26 -1.12 117.46 122.15 2cr5 n PHE 41 Ca -0.18 0.06 -0.06 0.00 -0.05 0.00 0.00 57.45 57.22 2cr5 n PHE 41 Cb 0.51 -1.53 -0.13 0.00 -0.94 0.00 0.00 39.48 37.40 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 -2.29 0.64 0.11 -1.08 5.02 0.14 -4.10 118.16 116.60 2cr5 n LYS 42 Ca 0.02 0.21 -0.03 0.00 -2.02 0.00 0.00 58.31 56.49 2cr5 n LYS 42 Cb 0.58 -1.74 0.07 0.00 -0.02 0.00 0.00 35.03 33.93 2cr5 n LYS 42 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2cr5 h SER 43 N 0.00 0.00 -2.06 4.39 0.87 -1.92 -3.04 113.55 111.78 2cr5 h SER 43 Ca -0.29 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 59.67 2cr5 h SER 43 Cb 1.91 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.89 2cr5 h SER 43 CO 0.06 0.73 1.14 0.79 -0.53 0.00 0.00 176.83 179.02 2cr5 n TRP 44 N -3.59 2.34 -2.38 2.24 8.01 -1.26 -4.50 117.44 118.30 2cr5 n TRP 44 Ca -0.01 -0.07 -0.39 0.00 -1.31 0.00 0.00 57.50 55.73 2cr5 n TRP 44 Cb 0.73 -2.69 -0.03 0.00 -2.01 0.00 0.00 31.31 27.31 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 4.36 6.84 0.37 -0.99 3.84 -1.26 -2.03 114.94 126.06 2cr5 s ASN 45 Ca 0.93 2.30 0.32 0.00 0.21 0.00 0.00 52.86 56.62 2cr5 s ASN 45 Cb -0.64 -2.62 1.20 0.00 -0.55 0.00 0.00 41.25 38.64 2cr5 s ASN 45 CO 0.50 -0.45 1.14 -1.54 -2.79 0.00 0.00 177.10 173.96 2cr5 n SER 46 N 0.50 0.06 -0.11 -4.21 3.41 -1.26 -0.27 113.62 111.74 2cr5 n SER 46 Ca 0.02 0.85 -0.11 0.00 -0.26 0.00 0.00 58.87 59.37 2cr5 n SER 46 Cb 0.46 -0.42 -0.08 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.31 -1.20 4.33 5.75 -1.89 0.19 115.11 121.99 2cr5 h GLN 47 Ca 0.67 0.02 0.40 0.00 -0.15 0.00 0.00 58.65 59.60 2cr5 h GLN 47 Cb 2.49 0.07 -0.11 0.00 1.07 0.00 0.00 27.48 31.00 2cr5 h GLN 47 CO -0.15 -0.21 0.78 1.55 -2.65 0.00 0.00 178.83 178.16 2cr5 n VAL 48 N -4.85 -0.18 0.43 2.39 3.14 0.63 0.36 118.33 120.26 2cr5 n VAL 48 Ca -0.03 1.44 -0.20 0.00 -2.96 0.00 0.00 64.34 62.60 2cr5 n VAL 48 Cb 0.27 -2.37 -0.10 0.00 -1.06 0.00 0.00 33.84 30.58 2cr5 n VAL 48 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2cr5 h LEU 49 N 0.00 -1.22 -0.80 6.55 3.38 -0.76 -2.77 115.31 119.70 2cr5 h LEU 49 Ca 0.73 0.07 0.20 0.00 0.09 0.00 0.00 57.88 58.96 2cr5 h LEU 49 Cb 2.43 0.35 -0.15 0.00 0.09 0.00 0.00 40.66 43.38 2cr5 h LEU 49 CO -0.33 -0.75 -0.05 0.18 0.09 0.00 0.00 178.44 177.57 2cr5 n LEU 50 N -5.62 -0.15 -0.03 1.67 4.77 0.16 0.14 117.00 117.93 2cr5 n LEU 50 Ca -0.15 1.36 -0.09 0.00 -0.03 0.00 0.00 56.01 57.10 2cr5 n LEU 50 Cb 0.50 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2cr5 n LEU 50 CO 0.35 -1.35 0.87 -0.78 -1.33 0.00 0.00 177.39 175.15 2cr5 h ASP 51 N 0.00 -0.05 -0.45 -1.43 3.58 -1.52 -1.14 116.42 115.40 2cr5 h ASP 51 Ca 0.45 0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.95 2cr5 h ASP 51 Cb 0.86 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.95 2cr5 h ASP 51 CO -0.77 -0.00 0.30 -0.25 -2.88 0.00 0.00 179.24 175.64 2cr5 h TRP 52 N 0.06 0.54 -0.11 0.28 7.01 0.14 -1.17 115.95 122.70 2cr5 h TRP 52 Ca 0.08 0.01 -0.12 0.00 2.11 0.00 0.00 58.89 60.97 2cr5 h TRP 52 Cb 0.09 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 26.96 2cr5 h TRP 52 CO -0.15 0.33 -0.47 1.98 -2.79 0.00 0.00 178.44 177.34 2cr5 h MET 53 N 0.57 0.27 0.00 2.65 4.05 -0.27 -2.57 114.93 119.63 2cr5 h MET 53 Ca 0.17 -0.15 -0.08 0.00 -0.28 0.00 0.00 59.70 59.37 2cr5 h MET 53 Cb 0.00 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 2cr5 h MET 53 CO -0.04 0.69 -0.38 0.52 0.23 0.00 0.00 176.91 177.93 2cr5 h MET 54 N 0.22 0.00 -0.03 0.39 2.86 -0.08 -1.08 114.93 117.21 2cr5 h MET 54 Ca 0.01 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.52 2cr5 h MET 54 Cb 0.91 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.58 2cr5 h MET 54 CO 0.07 0.38 -0.49 0.87 1.06 0.00 0.00 176.91 178.80 2cr5 h LYS 55 N 0.00 0.38 0.00 1.72 1.79 -1.06 -3.22 116.57 116.18 2cr5 h LYS 55 Ca -0.00 -0.38 -0.02 0.00 -2.18 0.00 0.00 60.65 58.07 2cr5 h LYS 55 Cb 1.10 0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2cr5 h LYS 55 CO 0.05 1.04 -0.09 -0.39 -1.08 0.00 0.00 179.45 178.98 2cr5 h VAL 56 N -0.13 1.03 0.00 0.50 -1.51 -1.51 -3.45 116.25 111.18 2cr5 h VAL 56 Ca -0.05 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 2cr5 h VAL 56 Cb 1.19 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 2cr5 h VAL 56 CO 0.10 0.09 0.00 0.61 -1.23 0.00 0.00 177.57 177.14 2cr5 n GLY 57 N -1.25 0.83 3.64 5.19 0.00 -1.18 -5.13 105.19 107.29 2cr5 n GLY 57 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.35 -1.20 0.81 1.61 2.02 -0.42 -5.01 117.35 114.81 2cr5 s TYR 58 Ca 0.00 2.21 -0.12 0.00 -0.37 0.00 0.00 57.07 58.79 2cr5 s TYR 58 Cb 0.00 0.72 0.08 0.00 -0.40 0.00 0.00 41.96 42.36 2cr5 s TYR 58 CO 0.00 -0.59 1.18 -1.58 -1.57 0.00 0.00 175.55 172.99 2cr5 s HIS 59 N 2.31 2.90 -0.13 2.71 2.46 -1.26 -2.02 115.29 122.26 2cr5 s HIS 59 Ca -0.08 0.73 0.04 0.00 0.47 0.00 0.00 55.06 56.22 2cr5 s HIS 59 Cb -0.09 -3.52 -0.24 0.00 -0.13 0.00 0.00 32.58 28.61 2cr5 s HIS 59 CO -0.19 -1.80 0.33 0.36 -2.47 0.00 0.00 174.74 170.97 2cr5 n LYS 60 N -3.33 0.69 0.21 2.88 -0.00 -1.26 -2.46 118.16 114.90 2cr5 n LYS 60 Ca 0.08 0.22 0.08 0.00 -0.00 0.00 0.00 58.31 58.69 2cr5 n LYS 60 Cb 0.61 -1.68 0.44 0.00 -0.00 0.00 0.00 35.03 34.40 2cr5 n LYS 60 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2cr5 h SER 61 N 0.03 0.00 0.03 -5.58 0.87 -2.01 -3.26 113.55 103.63 2cr5 h SER 61 Ca -0.42 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 59.81 2cr5 h SER 61 Cb 2.04 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.96 2cr5 h SER 61 CO 0.05 0.29 -1.87 0.18 -0.53 0.00 0.00 176.83 174.95 2cr5 n LEU 62 N -3.57 2.22 -4.65 2.23 4.77 -1.26 -4.87 117.00 111.87 2cr5 n LEU 62 Ca -0.01 0.28 -0.26 0.00 -0.03 0.00 0.00 56.01 55.99 2cr5 n LEU 62 Cb 0.43 -0.97 -0.08 0.00 -2.33 0.00 0.00 43.42 40.47 2cr5 n LEU 62 CO 0.35 0.57 -0.34 -0.31 -1.33 0.00 0.00 177.39 176.33 2cr5 s TYR 63 N -2.46 2.81 0.45 -1.77 2.02 -1.03 -0.79 117.35 116.58 2cr5 s TYR 63 Ca -0.30 -0.15 0.03 0.00 -0.37 0.00 0.00 57.07 56.28 2cr5 s TYR 63 Cb 0.08 -1.36 -0.03 0.00 -0.40 0.00 0.00 41.96 40.25 2cr5 s TYR 63 CO 0.62 0.52 0.04 -0.98 -1.57 0.00 0.00 175.55 174.18 2cr5 s ARG 64 N -2.97 2.04 -0.11 -0.62 1.70 0.81 -4.20 118.95 115.60 2cr5 s ARG 64 Ca 0.27 -2.25 0.02 0.00 -0.47 0.00 0.00 55.73 53.31 2cr5 s ARG 64 Cb -0.09 -1.30 -0.01 0.00 -0.57 0.00 0.00 34.95 32.98 2cr5 s ARG 64 CO 0.18 -0.30 -0.20 -0.51 -1.08 0.00 0.00 175.30 173.39 2cr5 s LEU 65 N -3.75 2.33 0.34 -1.89 1.43 -1.26 -2.39 118.68 113.49 2cr5 s LEU 65 Ca 0.18 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.86 2cr5 s LEU 65 Cb 0.04 -1.49 -0.07 0.00 0.03 0.00 0.00 46.19 44.71 2cr5 s LEU 65 CO 0.10 0.16 0.05 -0.94 0.23 0.00 0.00 176.35 175.95 2cr5 s SER 66 N 0.35 2.62 0.69 2.29 1.04 0.39 -1.81 113.70 119.26 2cr5 s SER 66 Ca -0.16 -1.37 -0.06 0.00 0.48 0.00 0.00 55.95 54.84 2cr5 s SER 66 Cb -0.17 -0.14 0.06 0.00 0.10 0.00 0.00 66.02 65.87 2cr5 s SER 66 CO 0.08 -0.58 0.99 0.42 0.98 0.00 0.00 173.24 175.13 2cr5 s THR 67 N -3.20 2.32 -0.03 2.02 -4.23 -1.12 -0.84 115.64 110.57 2cr5 s THR 67 Ca 0.36 -0.31 -0.07 0.00 -1.18 0.00 0.00 61.69 60.50 2cr5 s THR 67 Cb 0.09 -3.00 -0.04 0.00 1.34 0.00 0.00 72.50 70.89 2cr5 s THR 67 CO 0.16 -0.00 0.40 0.77 -0.54 0.00 0.00 174.62 175.41 2cr5 h SER 68 N -0.53 -0.20 -2.68 3.99 4.64 -1.94 -3.40 113.55 113.43 2cr5 h SER 68 Ca -0.44 0.01 0.06 0.00 -0.47 0.00 0.00 61.79 60.95 2cr5 h SER 68 Cb 1.31 0.05 -0.23 0.00 -0.31 0.00 0.00 62.40 63.22 2cr5 h SER 68 CO 0.60 0.05 0.14 0.12 -0.87 0.00 0.00 176.83 176.87 2cr5 s PHE 69 N -2.35 -0.90 0.39 4.77 5.36 -1.26 -3.73 117.98 120.26 2cr5 s PHE 69 Ca -0.03 1.77 -0.26 0.00 -0.96 0.00 0.00 56.93 57.44 2cr5 s PHE 69 Cb 0.00 0.54 -0.09 0.00 -0.34 0.00 0.00 43.02 43.14 2cr5 s PHE 69 CO 0.10 -0.45 1.19 -1.25 -1.46 0.00 0.00 175.22 173.36 2cr5 s PRO 70 N 1.67 4.10 0.32 10.12 0.04 -1.26 -5.12 135.00 144.87 2cr5 s PRO 70 Ca -0.09 1.91 -0.29 0.00 0.04 0.00 0.00 61.00 62.57 2cr5 s PRO 70 Cb -0.05 -2.75 -0.10 0.00 0.04 0.00 0.00 34.50 31.64 2cr5 s PRO 70 CO -0.18 -0.30 1.26 0.50 0.04 0.00 0.00 177.00 178.32 2cr5 s ARG 71 N -2.19 4.41 -0.16 4.56 3.00 -1.24 -4.71 118.95 122.61 2cr5 s ARG 71 Ca 0.56 2.13 -0.29 0.00 -1.00 0.00 0.00 55.73 57.12 2cr5 s ARG 71 Cb -0.32 -3.10 0.11 0.00 0.00 0.00 0.00 34.95 31.64 2cr5 s ARG 71 CO 0.41 -0.11 0.91 0.50 0.00 0.00 0.00 175.30 177.01 2cr5 s ARG 72 N -1.69 0.71 -0.47 5.12 3.52 -1.26 -4.95 118.95 119.93 2cr5 s ARG 72 Ca 0.48 0.31 -0.28 0.00 -0.13 0.00 0.00 55.73 56.11 2cr5 s ARG 72 Cb -0.38 0.34 -0.01 0.00 -1.56 0.00 0.00 34.95 33.34 2cr5 s ARG 72 CO 0.50 -0.19 1.68 0.00 -0.81 0.00 0.00 175.30 176.48 2cr5 s ALA 73 N -0.79 2.68 0.23 6.12 0.00 -1.26 -2.77 121.76 125.96 2cr5 s ALA 73 Ca -0.03 -0.25 -0.05 0.00 0.00 0.00 0.00 51.96 51.63 2cr5 s ALA 73 Cb -0.01 -4.10 -0.05 0.00 0.00 0.00 0.00 23.12 18.95 2cr5 s ALA 73 CO 0.02 -3.02 0.48 -0.51 0.00 0.00 0.00 175.76 172.73 2cr5 s LEU 74 N 7.15 4.15 0.04 0.00 2.01 -0.75 -5.02 118.68 126.26 2cr5 s LEU 74 Ca 0.68 0.65 0.07 0.00 0.01 0.00 0.00 54.13 55.54 2cr5 s LEU 74 Cb -0.16 -3.43 -0.02 0.00 0.01 0.00 0.00 46.19 42.59 2cr5 s LEU 74 CO 0.28 -0.09 -0.20 -1.61 1.01 0.00 0.00 176.35 175.74 2cr5 s GLU 75 N -3.21 1.39 0.01 1.70 2.02 -1.26 -4.37 118.70 114.98 2cr5 s GLU 75 Ca 0.43 -0.90 -0.30 0.00 0.02 0.00 0.00 54.97 54.21 2cr5 s GLU 75 Cb -0.11 -1.48 -0.04 0.00 0.10 0.00 0.00 34.13 32.61 2cr5 s GLU 75 CO 0.27 0.38 1.07 0.14 0.02 0.00 0.00 175.26 177.15 2cr5 s VAL 76 N -0.76 4.54 -0.57 2.63 -7.23 -1.26 -5.01 120.40 112.74 2cr5 s VAL 76 Ca 0.07 1.82 -0.10 0.00 -1.81 0.00 0.00 61.98 61.96 2cr5 s VAL 76 Cb -0.09 -4.17 0.15 0.00 0.56 0.00 0.00 36.38 32.83 2cr5 s VAL 76 CO 0.01 0.12 0.46 -0.70 -0.31 0.00 0.00 175.10 174.69 2cr5 s GLU 77 N 1.21 2.79 0.61 4.82 2.12 -1.26 -4.92 118.70 124.06 2cr5 s GLU 77 Ca 0.54 -2.00 0.29 0.00 0.36 0.00 0.00 54.97 54.16 2cr5 s GLU 77 Cb -0.24 -4.06 1.50 0.00 0.26 0.00 0.00 34.13 31.59 2cr5 s GLU 77 CO 0.27 -1.23 1.90 0.78 -0.54 0.00 0.00 175.26 176.44 2cr5 h GLY 78 N 8.20 0.00 0.00 -1.50 0.00 -1.97 -2.66 103.07 105.14 2cr5 h GLY 78 Ca -0.14 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 2cr5 h GLY 78 CO 0.85 0.00 -0.03 -1.33 0.00 0.00 0.00 176.54 176.04 2cr5 h GLY 79 N 0.00 0.00 -4.19 4.60 0.00 -2.02 -3.46 103.07 98.00 2cr5 h GLY 79 Ca 0.16 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.97 2cr5 h GLY 79 CO -0.00 0.00 0.42 -0.56 0.00 0.00 0.00 176.54 176.40 2cr5 s SER 80 N -5.58 7.35 1.18 0.19 0.01 -1.00 -5.04 113.70 110.80 2cr5 s SER 80 Ca -0.01 1.89 -0.19 0.00 1.31 0.00 0.00 55.95 58.95 2cr5 s SER 80 Cb -0.00 -2.59 0.28 0.00 0.21 0.00 0.00 66.02 63.92 2cr5 s SER 80 CO 0.04 -0.20 1.13 -0.94 0.41 0.00 0.00 173.24 173.68 2cr5 s SER 81 N 0.25 1.15 0.25 2.44 1.04 -1.26 -4.34 113.70 113.22 2cr5 s SER 81 Ca 0.50 0.59 -0.04 0.00 0.48 0.00 0.00 55.95 57.49 2cr5 s SER 81 Cb -0.26 -0.82 0.42 0.00 0.10 0.00 0.00 66.02 65.47 2cr5 s SER 81 CO 0.31 -3.98 1.80 -0.07 0.98 0.00 0.00 173.24 172.28 2cr5 h LEU 82 N -2.48 0.66 -0.57 2.42 3.38 -1.44 0.10 115.31 117.37 2cr5 h LEU 82 Ca -0.45 0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.42 2cr5 h LEU 82 Cb 1.29 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 2cr5 h LEU 82 CO 0.35 0.36 -0.67 -0.08 0.09 0.00 0.00 178.44 178.49 2cr5 h GLU 83 N 0.77 0.21 -0.22 1.13 4.81 -1.70 0.11 114.58 119.69 2cr5 h GLU 83 Ca 0.41 -0.16 -0.12 0.00 -0.13 0.00 0.00 59.36 59.35 2cr5 h GLU 83 Cb 0.41 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2cr5 h GLU 83 CO -0.27 0.80 -0.39 -0.44 -0.73 0.00 0.00 179.01 177.99 2cr5 h ASP 84 N 0.15 0.53 0.92 1.04 3.32 -1.46 -2.92 116.42 118.00 2cr5 h ASP 84 Ca -0.01 -0.23 -0.13 0.00 0.02 0.00 0.00 57.03 56.68 2cr5 h ASP 84 Cb 1.20 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 2cr5 h ASP 84 CO 0.10 0.87 -0.60 0.16 -1.72 0.00 0.00 179.24 178.05 2cr5 h ILE 85 N 0.42 1.22 0.00 0.35 3.07 -0.79 -3.47 117.51 118.31 2cr5 h ILE 85 Ca 0.04 -2.21 0.00 0.00 1.55 0.00 0.00 64.86 64.24 2cr5 h ILE 85 Cb 0.86 2.26 0.00 0.00 -0.27 0.00 0.00 36.82 39.68 2cr5 h ILE 85 CO 0.07 0.58 0.00 0.61 -1.05 0.00 0.00 178.15 178.37 2cr5 n GLY 86 N 0.63 0.71 2.51 0.16 0.00 -1.00 -5.09 105.19 103.11 2cr5 n GLY 86 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 1.21 0.12 -0.61 2.08 0.36 -4.86 119.36 117.65 2cr5 n ILE 87 Ca 0.00 -4.72 0.02 0.00 0.56 0.00 0.00 62.75 58.61 2cr5 n ILE 87 Cb 0.00 -0.57 0.00 0.00 -0.75 0.00 0.00 39.64 38.32 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 2.01 0.76 -3.24 1.39 1.35 -1.81 -3.37 112.91 110.00 2cr5 h THR 88 Ca 0.10 -2.12 -0.36 0.00 -0.55 0.00 0.00 66.41 63.47 2cr5 h THR 88 Cb 0.85 2.32 -0.15 0.00 -1.73 0.00 0.00 68.15 69.44 2cr5 h THR 88 CO 0.63 0.43 -0.72 0.68 -0.25 0.00 0.00 175.52 176.29 2cr5 s VAL 89 N -2.97 1.33 -0.37 6.82 -7.23 -1.26 -4.80 120.40 111.92 2cr5 s VAL 89 Ca 0.03 -2.10 -0.34 0.00 -1.81 0.00 0.00 61.98 57.76 2cr5 s VAL 89 Cb 0.08 -1.91 -0.14 0.00 0.56 0.00 0.00 36.38 34.96 2cr5 s VAL 89 CO 0.76 -0.70 1.34 -0.90 -0.31 0.00 0.00 175.10 175.29 2cr5 n ASP 90 N -0.25 0.75 -4.09 4.85 5.75 -1.26 -4.78 116.55 117.51 2cr5 n ASP 90 Ca -0.09 0.72 -0.27 0.00 -0.01 0.00 0.00 54.79 55.13 2cr5 n ASP 90 Cb 0.61 -0.65 -0.17 0.00 -1.03 0.00 0.00 41.12 39.88 2cr5 n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2cr5 s THR 91 N 3.11 1.47 -0.21 2.12 2.01 -0.97 -4.92 115.64 118.24 2cr5 s THR 91 Ca 0.82 -0.66 -0.17 0.00 0.31 0.00 0.00 61.69 61.98 2cr5 s THR 91 Cb -1.10 -1.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 2cr5 s THR 91 CO 0.55 0.43 0.47 -0.69 -0.69 0.00 0.00 174.62 174.70 2cr5 s VAL 92 N 0.64 5.13 -0.01 3.82 1.01 -1.26 -2.98 120.40 126.74 2cr5 s VAL 92 Ca -0.14 0.85 0.02 0.00 0.00 0.00 0.00 61.98 62.71 2cr5 s VAL 92 Cb -0.16 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 2cr5 s VAL 92 CO 0.04 0.19 -0.04 -0.76 0.00 0.00 0.00 175.10 174.53 2cr5 s LEU 93 N 1.65 3.33 -0.02 3.92 1.43 0.71 -3.43 118.68 126.27 2cr5 s LEU 93 Ca 0.22 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 2cr5 s LEU 93 Cb -0.15 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 2cr5 s LEU 93 CO 0.09 0.30 -0.09 0.20 0.23 0.00 0.00 176.35 177.08 2cr5 s ASN 94 N -1.36 4.47 -0.15 2.29 -0.87 -0.02 -0.12 114.94 119.18 2cr5 s ASN 94 Ca 0.17 -0.15 -0.04 0.00 -1.57 0.00 0.00 52.86 51.28 2cr5 s ASN 94 Cb -0.11 -1.03 -0.03 0.00 -0.02 0.00 0.00 41.25 40.06 2cr5 s ASN 94 CO 0.07 0.31 -0.02 -0.69 -2.57 0.00 0.00 177.10 174.21 2cr5 s VAL 95 N -0.91 4.11 0.02 1.60 1.01 -1.06 -0.46 120.40 124.71 2cr5 s VAL 95 Ca 0.15 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 2cr5 s VAL 95 Cb -0.11 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 2cr5 s VAL 95 CO 0.05 0.51 0.04 -1.83 0.00 0.00 0.00 175.10 173.87 2cr5 s GLU 96 N 0.13 0.44 0.17 2.72 -1.05 -1.00 -3.77 118.70 116.34 2cr5 s GLU 96 Ca 0.00 -0.64 -0.30 0.00 -0.15 0.00 0.00 54.97 53.88 2cr5 s GLU 96 Cb -0.13 0.17 -0.07 0.00 -0.44 0.00 0.00 34.13 33.65 2cr5 s GLU 96 CO 0.02 -0.09 1.04 -1.83 0.95 0.00 0.00 175.26 175.35 2cr5 s GLU 97 N -1.92 4.66 0.26 -4.83 -1.05 -1.26 -0.13 118.70 114.43 2cr5 s GLU 97 Ca -0.11 1.61 -0.30 0.00 -0.15 0.00 0.00 54.97 56.03 2cr5 s GLU 97 Cb -0.06 -3.30 -0.10 0.00 -0.44 0.00 0.00 34.13 30.23 2cr5 s GLU 97 CO -0.02 0.17 1.39 0.15 0.95 0.00 0.00 175.26 177.91 2cr5 s LYS 98 N -0.39 4.30 -1.10 -4.83 1.02 0.03 -4.89 119.74 113.88 2cr5 s LYS 98 Ca 0.47 2.25 -0.16 0.00 0.02 0.00 0.00 55.97 58.56 2cr5 s LYS 98 Cb -0.27 -3.11 0.15 0.00 -0.52 0.00 0.00 37.83 34.08 2cr5 s LYS 98 CO 0.33 -0.35 1.31 -2.00 -0.92 0.00 0.00 175.35 173.73 2cr5 s GLU 99 N -0.67 3.89 -1.20 1.68 2.56 -1.26 -4.42 118.70 119.28 2cr5 s GLU 99 Ca 0.57 -2.24 0.00 0.00 0.00 0.00 0.00 54.97 53.29 2cr5 s GLU 99 Cb -0.41 -5.01 0.00 0.00 2.00 0.00 0.00 34.13 30.71 2cr5 s GLU 99 CO 0.45 -1.77 0.00 1.04 -0.56 0.00 0.00 175.26 174.41 2cr5 n GLN 100 N 6.04 -2.04 -2.33 4.30 6.02 -1.26 -4.84 117.38 123.27 2cr5 n GLN 100 Ca 0.32 0.68 -0.36 0.00 -0.01 0.00 0.00 57.00 57.63 2cr5 n GLN 100 Cb 0.45 -5.24 -0.04 0.00 1.02 0.00 0.00 30.24 26.43 2cr5 n GLN 100 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2cr5 s SER 101 N -2.05 5.86 -0.27 1.08 0.15 -1.26 -4.89 113.70 112.31 2cr5 s SER 101 Ca 0.00 -0.87 -0.25 0.00 0.70 0.00 0.00 55.95 55.54 2cr5 s SER 101 Cb 0.00 -2.56 0.08 0.00 -1.71 0.00 0.00 66.02 61.83 2cr5 s SER 101 CO 0.00 -2.07 0.78 -0.55 1.20 0.00 0.00 173.24 172.60 2cr5 s SER 102 N 6.21 -0.69 -0.21 5.45 0.15 -1.26 -5.06 113.70 118.29 2cr5 s SER 102 Ca 0.55 1.33 -0.30 0.00 0.70 0.00 0.00 55.95 58.23 2cr5 s SER 102 Cb -0.05 1.35 -0.07 0.00 -1.71 0.00 0.00 66.02 65.54 2cr5 s SER 102 CO -0.00 -0.23 2.18 0.00 1.20 0.00 0.00 173.24 176.38 2cr5 n GLN 103 N 2.63 1.90 -4.62 5.44 3.00 -1.26 -4.95 117.38 119.52 2cr5 n GLN 103 Ca -0.14 0.55 -0.32 0.00 -0.01 0.00 0.00 57.00 57.09 2cr5 n GLN 103 Cb 0.55 -3.05 -0.07 0.00 0.00 0.00 0.00 30.24 27.68 2cr5 n GLN 103 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2cr5 s SER 104 N 7.55 4.20 -0.35 1.08 1.04 -1.26 -4.94 113.70 121.02 2cr5 s SER 104 Ca 1.01 -1.57 -0.15 0.00 0.48 0.00 0.00 55.95 55.71 2cr5 s SER 104 Cb -0.46 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.13 2cr5 s SER 104 CO 0.39 -0.87 0.40 0.61 0.98 0.00 0.00 173.24 174.76 2cr5 n GLY 105 N -1.32 -1.55 0.02 7.32 0.00 -1.26 -4.84 105.19 103.55 2cr5 n GLY 105 Ca -0.16 0.90 0.07 0.00 0.00 0.00 0.00 46.02 46.84 2cr5 n GLY 105 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cr5 n PRO 106 N 0.16 0.02 -1.96 1.61 -0.04 -1.26 -4.76 135.00 128.77 2cr5 n PRO 106 Ca 0.03 0.28 -0.42 0.00 -0.04 0.00 0.00 63.50 63.35 2cr5 n PRO 106 Cb 0.41 -1.55 -0.03 0.00 -0.04 0.00 0.00 33.50 32.29 2cr5 n PRO 106 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cr5 s SER 107 N -3.15 6.63 1.03 3.54 0.15 -1.26 -4.98 113.70 115.66 2cr5 s SER 107 Ca 0.06 2.42 -0.12 0.00 0.70 0.00 0.00 55.95 59.02 2cr5 s SER 107 Cb 0.09 -2.56 0.21 0.00 -1.71 0.00 0.00 66.02 62.05 2cr5 s SER 107 CO 0.27 -0.88 1.07 -0.44 1.20 0.00 0.00 173.24 174.47 2cr5 s SER 108 N 2.48 2.19 0.00 5.45 0.01 -1.26 -5.20 113.70 117.36 2cr5 s SER 108 Ca 0.73 1.51 0.00 0.00 1.31 0.00 0.00 55.95 59.50 2cr5 s SER 108 Cb -0.38 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2cr5 s SER 108 CO 0.32 -3.45 0.00 0.61 0.41 0.00 0.00 173.24 171.13